Features

Here are lists of features generated for binary, ternary, and quaternary formulas. To learn more about the elemental properties, please read our paper at https://doi.org/10.1016/j.dib.2024.110178.

Binary

NdSi2 is an example.

133 binary numerical features for NdSi2

#

Feature

Value

1

formula

NdSi2

2

index_A

1.0

3

index_B

2.0

4

index_A_norm

0.333333

5

index_B_norm

0.666667

6

index_max

2.0

7

index_min

1.0

8

index_avg

1.5

9

atomic_weight_A+B_weighted

200.41299999999998

10

atomic_weight_A/B

5.135817414680173

11

atomic_weight_A-B

116.1565

12

period_A

6

13

period_B

3

14

group_A

3

15

group_B

14

16

group_A-B

-11

17

Mendeleev_number_A

19

18

Mendeleev_number_B

78

19

Mendeleev_number_A-B

-59

20

valencee_total_A

6

21

valencee_total_B

4

22

valencee_total_A-B

2

23

valencee_total_A+B

10

24

valencee_total_A+B_weighted

14.0

25

valencee_total_A+B_weighted_norm

4.666666

26

unpaired_electrons_A

4

27

unpaired_electrons_B

2

28

unpaired_electrons_A-B

2

29

unpaired_electrons_A+B

6

30

unpaired_electrons_A+B_weighted

8.0

31

unpaired_electrons_A+B_weighted_norm

2.666666

32

Gilman_A

3

33

Gilman_B

4

34

Gilman_A-B

-1

35

Gilman_A+B

7

36

Gilman_A+B_weighted

11.0

37

Gilman_A+B_weighted_norm

3.666667

38

Z_eff_A

3.822

39

Z_eff_B

2.321

40

Z_eff_A-B

1.501

41

Z_eff_A/B

1.6467040068935803

42

Z_eff_max

3.822

43

Z_eff_min

2.321

44

Z_eff_avg

3.0715000000000003

45

Z_eff_A+B_weighted_norm

2.8213328330000005

46

ionization_energy_A

5.525

47

ionization_energy_B

8.1517

48

ionization_energy_A-B

-2.6266999999999996

49

ionization_energy_A/B

0.6777727345216336

50

ionization_energy_max

8.1517

51

ionization_energy_min

5.525

52

ionization_energy_avg

6.83835

53

ionization_energy_A+B_weighted_norm

7.2761342089

54

coordination_number_A

12

55

coordination_number_B

4

56

coordination_number_A-B

8

57

ratio_closest_A

0.5

58

ratio_closest_B

1.0

59

ratio_closest_max

1.0

60

ratio_closest_min

0.5

61

ratio_closest_avg

0.75

62

polyhedron_distortion_A

0.992

63

polyhedron_distortion_B

1.0

64

polyhedron_distortion_max

1.0

65

polyhedron_distortion_min

0.992

66

polyhedron_distortion_avg

0.996

67

CIF_radius_A

1.813

68

CIF_radius_B

1.176

69

CIF_radius_A-B

0.637

70

CIF_radius_A/B

1.5416666666666667

71

CIF_radius_avg

1.4945

72

CIF_radius_A+B_weighted_norm

1.388333121

73

Pauling_radius_CN12_A

1.818

74

Pauling_radius_CN12_B

1.316

75

Pauling_radius_CN12_A-B

0.502

76

Pauling_radius_CN12_A/B

1.3814589665653496

77

Pauling_radius_CN12_avg

1.5670000000000002

78

Pauling_radius_CN12_A+B_weighted_norm

1.388333121

79

Pauling_EN_A

1.14

80

Pauling_EN_B

1.9

81

Pauling_EN_A-B

-0.76

82

Pauling_EN_A/B

0.6

83

Pauling_EN_max

1.9

84

Pauling_EN_min

1.14

85

Pauling_EN_avg

1.52

86

Pauling_EN_A+B_weighted_norm

1.64666692

87

Martynov_Batsanov_EN_A

1.2

88

Martynov_Batsanov_EN_B

1.98

89

Martynov_Batsanov_EN_A-B

-0.78

90

Martynov_Batsanov_EN_A/B

0.6060606060606061

91

Martynov_Batsanov_EN_max

1.98

92

Martynov_Batsanov_EN_min

1.2

93

Martynov_Batsanov_EN_avg

1.5899999999999999

94

Martynov_Batsanov_EN_A+B_weighted_norm

1.72000026

95

melting_point_K_A

1289.15

96

melting_point_K_B

1683.15

97

melting_point_K_A-B

-394.0

98

melting_point_K_A/B

0.7659150996643199

99

melting_point_K_max

1683.15

100

melting_point_K_min

1289.15

101

melting_point_K_avg

1486.15

102

melting_point_K_A+B_weighted_norm

1551.816798

103

density_A

7.0

104

density_B

2.33

105

density_A-B

4.67

106

density_A/B

3.004291845493562

107

density_max

7.0

108

density_min

2.33

109

density_avg

4.665

110

density_A+B_weighted_norm

3.88666511

111

specific_heat_A

0.19

112

specific_heat_B

0.71

113

specific_heat_A-B

-0.52

114

specific_heat_A/B

0.26760563380281693

115

specific_heat_max

0.71

116

specific_heat_min

0.19

117

specific_heat_avg

0.44999999999999996

118

specific_heat_A+B_weighted_norm

0.53666684

119

cohesive_energy_A

3.4

120

cohesive_energy_B

4.63

121

cohesive_energy_A-B

-1.23

122

cohesive_energy_A/B

0.734341252699784

123

cohesive_energy_max

4.63

124

cohesive_energy_min

3.4

125

cohesive_energy_avg

4.015

126

cohesive_energy_A+B_weighted_norm

4.22000041

127

bulk_modulus_A

31.8

128

bulk_modulus_B

98.0

129

bulk_modulus_A-B

-66.2

130

bulk_modulus_A/B

0.32448979591836735

131

bulk_modulus_max

98.0

132

bulk_modulus_min

31.8

133

bulk_modulus_avg

64.9

134

bulk_modulus_A+B_weighted_norm

75.9333554

Ternary

NdSi2Th2 is an example.

204 ternary features for NdSi2Th2

#

Feature

Value

1

formula

NdSi2Th2

2

index_R

1.0

3

index_M

2.0

4

index_X

2.0

5

index_R_norm

0.2

6

index_M_norm

0.4

7

index_X_norm

0.4

8

index_max

2.0

9

index_min

1.0

10

index_avg

1.6666666666666667

11

atomic_weight_RMX_sum_weighted

664.4892

12

atomic_weight_R/M

5.135817414680173

13

atomic_weight_M/X

0.12103831224268774

14

atomic_weight_R/X

0.6216306718594921

15

atomic_number_R-M

46

16

atomic_number_M-X

-76

17

atomic_number_R-X

-30

18

atomic_number_RMX_avg

54.666666666666664

19

atomic_number_RMX_avg_weighted

53.6

20

atomic_number_RM_avg

37.0

21

atomic_number_MX_avg

52.0

22

atomic_number_RX_avg

75.0

23

period_R

6

24

period_M

3

25

period_X

7

26

period_RMX_sum_weighted_norm

5.200000000000001

27

period_RM_sum_weighted_norm

4.0

28

period_MX_sum_weighted_norm

5.0

29

period_RX_sum_weighted_norm

6.666666666666666

30

group_R

3

31

group_M

14

32

group_X

3

33

group_R-M

-11

34

group_M-X

11

35

group_R-X

0

36

group_RMX_sum_weighted_norm

7.400000000000001

37

group_RM_sum_weighted_norm

10.333333333333334

38

group_MX_sum_weighted_norm

8.5

39

group_RX_sum_weighted_norm

3.0

40

Mendeleev_number_R

19

41

Mendeleev_number_M

78

42

Mendeleev_number_X

16

43

Mendeleev_number_R-M

-59

44

Mendeleev_number_M-X

62

45

Mendeleev_number_R-X

3

46

Mendeleev_number_RMX_avg

37.666666666666664

47

Mendeleev_number_RMX_avg_weighted

41.4

48

Mendeleev_number_RM_avg

48.5

49

Mendeleev_number_MX_avg

47.0

50

Mendeleev_number_RX_avg

17.5

51

Mendeleev_number_RM_sum_weighted_norm

58.33333333333332

52

Mendeleev_number_MX_sum_weighted_norm

47.0

53

Mendeleev_number_RX_sum_weighted_norm

17.0

54

valencee_total_R

6

55

valencee_total_M

4

56

valencee_total_X

4

57

valencee_total_RMX_sum

14

58

valencee_total_RMX_sum_weighted

22.0

59

valencee_total_RMX_sum_weighted_norm

4.4

60

valencee_total_RM_sum_weighted_norm

4.666666666666666

61

valencee_total_MX_sum_weighted_norm

4.0

62

valencee_total_RX_sum_weighted_norm

4.666666666666666

63

unpaired_electrons_R

4

64

unpaired_electrons_M

2

65

unpaired_electrons_X

2

66

unpaired_electrons_RMX_sum

8

67

unpaired_electrons_RMX_sum_weighted

12.0

68

unpaired_electrons_RMX_sum_weighted_norm

2.4000000000000004

69

unpaired_electrons_RM_sum_weighted_norm

2.6666666666666665

70

unpaired_electrons_MX_sum_weighted_norm

2.0

71

unpaired_electrons_RX_sum_weighted_norm

2.6666666666666665

72

Gilman_R

3

73

Gilman_M

4

74

Gilman_X

2

75

Gilman_RMX_sum

9

76

Gilman_RMX_sum_weighted

15.0

77

Gilman_RMX_sum_weighted_norm

3.0

78

Gilman_RM_sum_weighted_norm

3.6666666666666665

79

Gilman_MX_sum_weighted_norm

3.0000000000000004

80

Gilman_RX_sum_weighted_norm

2.333333333333333

81

Z_eff_R

3.822

82

Z_eff_M

2.321

83

Z_eff_X

4.679

84

Z_eff_R/M

1.6467040068935803

85

Z_eff_M/X

0.4960461637101945

86

Z_eff_R/X

0.8168412053857661

87

Z_eff_max

4.679

88

Z_eff_min

2.321

89

Z_eff_avg

3.6073333333333335

90

ionization_energy_R

5.525

91

ionization_energy_M

8.1517

92

ionization_energy_X

6.3067

93

ionization_energy_R/M

0.6777727345216336

94

ionization_energy_M/X

1.2925460224840248

95

ionization_energy_R/X

0.8760524521540584

96

ionization_energy_max

8.1517

97

ionization_energy_min

5.525

98

ionization_energy_avg

6.661133333333333

99

coordination_number_R

12

100

coordination_number_M

4

101

coordination_number_X

12

102

coordination_number_R/M

3.0

103

coordination_number_M/X

0.3333333333333333

104

coordination_number_R/X

1.0

105

coordination_number_max

12

106

coordination_number_min

4

107

coordination_number_avg

9.333333333333334

108

ratio_closest_R

0.5

109

ratio_closest_M

1.0

110

ratio_closest_X

1.0

111

ratio_closest_R/M

0.5

112

ratio_closest_M/X

1.0

113

ratio_closest_R/X

0.5

114

ratio_closest_max

1.0

115

ratio_closest_min

0.5

116

ratio_closest_avg

0.8333333333333334

117

polyhedron_distortion_R

0.992

118

polyhedron_distortion_M

1.0

119

polyhedron_distortion_X

1.0

120

polyhedron_distortion_R/M

0.992

121

polyhedron_distortion_M/X

1.0

122

polyhedron_distortion_R/X

0.992

123

polyhedron_distortion_max

1.0

124

polyhedron_distortion_min

0.992

125

polyhedron_distortion_avg

0.9973333333333333

126

CIF_radius_R

1.813

127

CIF_radius_M

1.176

128

CIF_radius_X

1.798

129

CIF_radius_R/M

1.5416666666666667

130

CIF_radius_M/X

0.6540600667408231

131

CIF_radius_R/X

1.0083426028921023

132

CIF_radius_max

1.813

133

CIF_radius_min

1.176

134

CIF_radius_avg

1.5956666666666666

135

Pauling_radius_CN12_R

1.818

136

Pauling_radius_CN12_M

1.316

137

Pauling_radius_CN12_X

1.795

138

Pauling_radius_CN12_R/M

1.3814589665653496

139

Pauling_radius_CN12_M/X

0.7331476323119778

140

Pauling_radius_CN12_R/X

1.0128133704735376

141

Pauling_radius_CN12_max

1.818

142

Pauling_radius_CN12_min

1.316

143

Pauling_radius_CN12_avg

1.643

144

Pauling_EN_R

1.14

145

Pauling_EN_M

1.9

146

Pauling_EN_X

1.3

147

Pauling_EN_R/M

0.6

148

Pauling_EN_M/X

1.4615384615384615

149

Pauling_EN_R/X

0.8769230769230768

150

Pauling_EN_max

1.9

151

Pauling_EN_min

1.14

152

Pauling_EN_avg

1.4466666666666665

153

Martynov_Batsanov_EN_R

1.2

154

Martynov_Batsanov_EN_M

1.98

155

Martynov_Batsanov_EN_X

1.3

156

Martynov_Batsanov_EN_R/M

0.6060606060606061

157

Martynov_Batsanov_EN_M/X

1.523076923076923

158

Martynov_Batsanov_EN_R/X

0.923076923076923

159

Martynov_Batsanov_EN_max

1.98

160

Martynov_Batsanov_EN_min

1.2

161

Martynov_Batsanov_EN_avg

1.4933333333333332

162

melting_point_K_R

1289.15

163

melting_point_K_M

1683.15

164

melting_point_K_X

2023.15

165

melting_point_K_R/M

0.7659150996643199

166

melting_point_K_M/X

0.831945233917406

167

melting_point_K_R/X

0.6371994167511059

168

melting_point_K_max

2023.15

169

melting_point_K_min

1289.15

170

melting_point_K_avg

1665.1500000000003

171

density_R

7.0

172

density_M

2.33

173

density_X

11.7

174

density_R/M

3.004291845493562

175

density_M/X

0.19914529914529916

176

density_R/X

0.5982905982905983

177

density_max

11.7

178

density_min

2.33

179

density_avg

7.010000000000001

180

specific_heat_R

0.19

181

specific_heat_M

0.71

182

specific_heat_X

0.12

183

specific_heat_R/M

0.26760563380281693

184

specific_heat_M/X

5.916666666666667

185

specific_heat_R/X

1.5833333333333335

186

specific_heat_max

0.71

187

specific_heat_min

0.12

188

specific_heat_avg

0.34

189

cohesive_energy_R

3.4

190

cohesive_energy_M

4.63

191

cohesive_energy_X

6.2

192

cohesive_energy_R/M

0.734341252699784

193

cohesive_energy_M/X

0.746774193548387

194

cohesive_energy_R/X

0.5483870967741935

195

cohesive_energy_max

6.2

196

cohesive_energy_min

3.4

197

cohesive_energy_avg

4.743333333333333

198

bulk_modulus_R

31.8

199

bulk_modulus_M

98.0

200

bulk_modulus_X

54.0

201

bulk_modulus_R/M

0.32448979591836735

202

bulk_modulus_M/X

1.8148148148148149

203

bulk_modulus_R/X

0.5888888888888889

204

bulk_modulus_max

98.0

205

bulk_modulus_min

31.8

206

bulk_modulus_avg

61.26666666666667

Quaternary

YNdThSi2 is an example.

305 quaternary features for YNdThSi2

#

Feature

Value

1

formula

YNdThSi2

2

index_A

1.0

3

index_B

1.0

4

index_C

1.0

5

index_D

2.0

6

index_A_norm

0.2

7

index_B_norm

0.2

8

index_C_norm

0.2

9

index_D_norm

0.4

10

index_max

2.0

11

index_min

1.0

12

index_avg

1.25

13

atomic_weight_ABCD_sum_weighted

521.35694

14

atomic_weight_A/B

0.6163658296473982

15

atomic_weight_A/C

0.3831519047949453

16

atomic_weight_A/D

3.1655423617169003

17

atomic_weight_B/C

0.6216306718594921

18

atomic_weight_B/D

5.135817414680173

19

atomic_weight_C/D

8.261846860479606

20

atomic_number_A-B

-21

21

atomic_number_A-C

-51

22

atomic_number_A-D

25

23

atomic_number_B-C

-30

24

atomic_number_B-D

46

25

atomic_number_C-D

76

26

atomic_number_ABCD_avg

50.75

27

atomic_number_ABCD_avg_weighted

43.4

28

atomic_number_AB_avg

49.5

29

atomic_number_AC_avg

64.5

30

atomic_number_AD_avg

26.5

31

atomic_number_BC_avg

75.0

32

atomic_number_BD_avg

37.0

33

atomic_number_CD_avg

52.0

34

period_A

5

35

period_B

6

36

period_C

7

37

period_D

3

38

period_ABCD_sum_weighted_norm

4.800000000000001

39

period_AB_sum_weighted_norm

5.5

40

period_AC_sum_weighted_norm

6.000000000000001

41

period_AD_sum_weighted_norm

3.6666666666666665

42

period_BC_sum_weighted_norm

6.500000000000001

43

period_BD_sum_weighted_norm

4.0

44

period_CD_sum_weighted_norm

4.333333333333334

45

group_A

3

46

group_B

3

47

group_C

3

48

group_D

14

49

group_A-B

0

50

group_A-C

0

51

group_A-D

-11

52

group_B-C

0

53

group_B-D

-11

54

group_C-D

-11

55

group_ABCD_sum_weighted_norm

7.4

56

group_AB_sum_weighted_norm

3.0000000000000004

57

group_AC_sum_weighted_norm

3.0000000000000004

58

group_AD_sum_weighted_norm

10.333333333333334

59

group_BC_sum_weighted_norm

3.0000000000000004

60

group_BD_sum_weighted_norm

10.333333333333334

61

group_CD_sum_weighted_norm

10.333333333333334

62

Mendeleev_number_A

12

63

Mendeleev_number_B

19

64

Mendeleev_number_C

16

65

Mendeleev_number_D

78

66

Mendeleev_number_A-B

-7

67

Mendeleev_number_A-C

-4

68

Mendeleev_number_A-D

-66

69

Mendeleev_number_B-C

3

70

Mendeleev_number_B-D

-59

71

Mendeleev_number_C-D

-62

72

Mendeleev_number_ABCD_avg

31.25

73

Mendeleev_number_ABCD_avg_weighted

40.6

74

Mendeleev_number_AB_avg

15.5

75

Mendeleev_number_AC_avg

14.0

76

Mendeleev_number_AD_avg

45.0

77

Mendeleev_number_BC_avg

17.5

78

Mendeleev_number_BD_avg

48.5

79

Mendeleev_number_CD_avg

47.0

80

Mendeleev_number_AB_weighted_norm

15.500000000000002

81

Mendeleev_number_AC_weighted_norm

14.0

82

Mendeleev_number_AD_weighted_norm

55.99999999999999

83

Mendeleev_number_BC_weighted_norm

17.5

84

Mendeleev_number_BD_weighted_norm

58.33333333333332

85

Mendeleev_number_CD_weighted_norm

57.333333333333336

86

valencee_total_A

3

87

valencee_total_B

6

88

valencee_total_C

4

89

valencee_total_D

4

90

valencee_total_ABCD_sum

17

91

valencee_total_ABCD_sum_weighted

21.0

92

valencee_total_ABCD_sum_weighted_norm

4.200000000000001

93

valencee_total_AB_sum_weighted_norm

4.5

94

valencee_total_AC_sum_weighted_norm

3.5

95

valencee_total_AD_sum_weighted_norm

3.6666666666666665

96

valencee_total_BC_sum_weighted_norm

5.0

97

valencee_total_BD_sum_weighted_norm

4.666666666666666

98

valencee_total_CD_sum_weighted_norm

4.0

99

unpaired_electrons_A

1

100

unpaired_electrons_B

4

101

unpaired_electrons_C

2

102

unpaired_electrons_D

2

103

unpaired_electrons_ABCD_sum

9

104

unpaired_electrons_ABCD_sum_weighted

11.0

105

unpaired_electrons_ABCD_sum_weighted_norm

2.2

106

unpaired_electrons_AB_sum_weighted_norm

2.5

107

unpaired_electrons_AC_sum_weighted_norm

1.5000000000000002

108

unpaired_electrons_AD_sum_weighted_norm

1.6666666666666665

109

unpaired_electrons_BC_sum_weighted_norm

3.0000000000000004

110

unpaired_electrons_BD_sum_weighted_norm

2.6666666666666665

111

unpaired_electrons_CD_sum_weighted_norm

2.0

112

Gilman_A

1

113

Gilman_B

3

114

Gilman_C

2

115

Gilman_D

4

116

Gilman_ABCD_sum

10

117

Gilman_ABCD_sum_weighted

14.0

118

Gilman_ABCD_sum_weighted_norm

2.8000000000000003

119

Gilman_AB_sum_weighted_norm

2.0

120

Gilman_AC_sum_weighted_norm

1.5000000000000002

121

Gilman_AD_sum_weighted_norm

2.9999999999999996

122

Gilman_BC_sum_weighted_norm

2.5

123

Gilman_BD_sum_weighted_norm

3.6666666666666665

124

Gilman_CD_sum_weighted_norm

3.333333333333333

125

Z_eff_A

3.379

126

Z_eff_B

3.822

127

Z_eff_C

4.679

128

Z_eff_D

2.321

129

Z_eff_A/B

0.8840920983778127

130

Z_eff_A/C

0.7221628553109638

131

Z_eff_A/D

1.4558380008616973

132

Z_eff_B/C

0.8168412053857661

133

Z_eff_B/D

1.6467040068935803

134

Z_eff_C/D

2.015941404566997

135

Z_eff_ABCD_max

4.679

136

Z_eff_ABCD_min

2.321

137

Z_eff_ABCD_avg

3.55025

138

ionization_energy_A

6.2173

139

ionization_energy_B

5.525

140

ionization_energy_C

6.3067

141

ionization_energy_D

8.1517

142

ionization_energy_A/B

1.1253031674208143

143

ionization_energy_A/C

0.9858245992357334

144

ionization_energy_A/D

0.762699804948661

145

ionization_energy_B/C

0.8760524521540584

146

ionization_energy_B/D

0.6777727345216336

147

ionization_energy_C/D

0.7736668424991107

148

ionization_energy_ABCD_max

8.1517

149

ionization_energy_ABCD_min

5.525

150

ionization_energy_ABCD_avg

6.550174999999999

151

coordination_number_A

12

152

coordination_number_B

12

153

coordination_number_C

12

154

coordination_number_D

4

155

coordination_number_A/B

1.0

156

coordination_number_A/C

1.0

157

coordination_number_A/D

3.0

158

coordination_number_B/C

1.0

159

coordination_number_B/D

3.0

160

coordination_number_C/D

3.0

161

coordination_number_ABCD_max

12

162

coordination_number_ABCD_min

4

163

coordination_number_ABCD_avg

10.0

164

ratio_closest_A

0.5

165

ratio_closest_B

0.5

166

ratio_closest_C

1.0

167

ratio_closest_D

1.0

168

ratio_closest_A/B

1.0

169

ratio_closest_A/C

0.5

170

ratio_closest_A/D

0.5

171

ratio_closest_B/C

0.5

172

ratio_closest_B/D

0.5

173

ratio_closest_C/D

1.0

174

ratio_closest_ABCD_max

1.0

175

ratio_closest_ABCD_min

0.5

176

ratio_closest_ABCD_avg

0.75

177

polyhedron_distortion_A

0.975

178

polyhedron_distortion_B

0.992

179

polyhedron_distortion_C

1.0

180

polyhedron_distortion_D

1.0

181

polyhedron_distortion_A/B

0.9828629032258064

182

polyhedron_distortion_A/C

0.975

183

polyhedron_distortion_A/D

0.975

184

polyhedron_distortion_B/C

0.992

185

polyhedron_distortion_B/D

0.992

186

polyhedron_distortion_C/D

1.0

187

polyhedron_distortion_ABCD_max

1.0

188

polyhedron_distortion_ABCD_min

0.975

189

polyhedron_distortion_ABCD_avg

0.99175

190

CIF_radius_A

1.783

191

CIF_radius_B

1.813

192

CIF_radius_C

1.798

193

CIF_radius_D

1.176

194

CIF_radius_A/B

0.9834528405956977

195

CIF_radius_A/C

0.9916573971078976

196

CIF_radius_A/D

1.5161564625850341

197

CIF_radius_B/C

1.0083426028921023

198

CIF_radius_B/D

1.5416666666666667

199

CIF_radius_C/D

1.5289115646258504

200

CIF_radius_ABCD_max

1.813

201

CIF_radius_ABCD_min

1.176

202

CIF_radius_ABCD_avg

1.6425

203

Pauling_radius_CN12_A

1.797

204

Pauling_radius_CN12_B

1.818

205

Pauling_radius_CN12_C

1.795

206

Pauling_radius_CN12_D

1.316

207

Pauling_radius_CN12_A/B

0.9884488448844884

208

Pauling_radius_CN12_A/C

1.0011142061281337

209

Pauling_radius_CN12_A/D

1.3655015197568388

210

Pauling_radius_CN12_B/C

1.0128133704735376

211

Pauling_radius_CN12_B/D

1.3814589665653496

212

Pauling_radius_CN12_C/D

1.363981762917933

213

Pauling_radius_CN12_ABCD_max

1.818

214

Pauling_radius_CN12_ABCD_min

1.316

215

Pauling_radius_CN12_ABCD_avg

1.6815

216

Pauling_EN_A

1.22

217

Pauling_EN_B

1.14

218

Pauling_EN_C

1.3

219

Pauling_EN_D

1.9

220

Pauling_EN_A/B

1.0701754385964912

221

Pauling_EN_A/C

0.9384615384615385

222

Pauling_EN_A/D

0.6421052631578947

223

Pauling_EN_B/C

0.8769230769230768

224

Pauling_EN_B/D

0.6

225

Pauling_EN_C/D

0.6842105263157895

226

Pauling_EN_ABCD_max

1.9

227

Pauling_EN_ABCD_min

1.14

228

Pauling_EN_ABCD_avg

1.3900000000000001

229

Martynov_Batsanov_EN_A

1.41

230

Martynov_Batsanov_EN_B

1.2

231

Martynov_Batsanov_EN_C

1.3

232

Martynov_Batsanov_EN_D

1.98

233

Martynov_Batsanov_EN_A/B

1.175

234

Martynov_Batsanov_EN_A/C

1.0846153846153845

235

Martynov_Batsanov_EN_A/D

0.712121212121212

236

Martynov_Batsanov_EN_B/C

0.923076923076923

237

Martynov_Batsanov_EN_B/D

0.6060606060606061

238

Martynov_Batsanov_EN_C/D

0.6565656565656566

239

Martynov_Batsanov_EN_ABCD_max

1.98

240

Martynov_Batsanov_EN_ABCD_min

1.2

241

Martynov_Batsanov_EN_ABCD_avg

1.4725000000000001

242

melting_point_K_A

1796.15

243

melting_point_K_B

1289.15

244

melting_point_K_C

2023.15

245

melting_point_K_D

1683.15

246

melting_point_K_A/B

1.3932823953767985

247

melting_point_K_A/C

0.8877987297036799

248

melting_point_K_A/D

1.067136024715563

249

melting_point_K_B/C

0.6371994167511059

250

melting_point_K_B/D

0.7659150996643199

251

melting_point_K_C/D

1.2020021982592164

252

melting_point_K_ABCD_max

2023.15

253

melting_point_K_ABCD_min

1289.15

254

melting_point_K_ABCD_avg

1697.9

255

density_A

4.47

256

density_B

7.0

257

density_C

11.7

258

density_D

2.33

259

density_A/B

0.6385714285714286

260

density_A/C

0.382051282051282

261

density_A/D

1.9184549356223175

262

density_B/C

0.5982905982905983

263

density_B/D

3.004291845493562

264

density_C/D

5.021459227467811

265

density_ABCD_max

11.7

266

density_ABCD_min

2.33

267

density_ABCD_avg

6.375

268

specific_heat_A

0.3

269

specific_heat_B

0.19

270

specific_heat_C

0.12

271

specific_heat_D

0.71

272

specific_heat_A/B

1.5789473684210527

273

specific_heat_A/C

2.5

274

specific_heat_A/D

0.4225352112676056

275

specific_heat_B/C

1.5833333333333335

276

specific_heat_B/D

0.26760563380281693

277

specific_heat_C/D

0.16901408450704225

278

specific_heat_ABCD_max

0.71

279

specific_heat_ABCD_min

0.12

280

specific_heat_ABCD_avg

0.32999999999999996

281

cohesive_energy_A

4.37

282

cohesive_energy_B

3.4

283

cohesive_energy_C

6.2

284

cohesive_energy_D

4.63

285

cohesive_energy_A/B

1.285294117647059

286

cohesive_energy_A/C

0.7048387096774194

287

cohesive_energy_A/D

0.9438444924406048

288

cohesive_energy_B/C

0.5483870967741935

289

cohesive_energy_B/D

0.734341252699784

290

cohesive_energy_C/D

1.3390928725701945

291

cohesive_energy_ABCD_max

6.2

292

cohesive_energy_ABCD_min

3.4

293

cohesive_energy_ABCD_avg

4.6499999999999995

294

bulk_modulus_A

41.2

295

bulk_modulus_B

31.8

296

bulk_modulus_C

54.0

297

bulk_modulus_D

98.0

298

bulk_modulus_A/B

1.2955974842767297

299

bulk_modulus_A/C

0.7629629629629631

300

bulk_modulus_A/D

0.42040816326530617

301

bulk_modulus_B/C

0.5888888888888889

302

bulk_modulus_B/D

0.32448979591836735

303

bulk_modulus_C/D

0.5510204081632653

304

bulk_modulus_ABCD_max

98.0

305

bulk_modulus_ABCD_min

31.8

306

bulk_modulus_ABCD_avg

56.25