Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
stringlengths
4
14
CIF
stringlengths
825
3.16k
matches_count_scaled
float64
0
1
Database
stringclasses
1 value
Reduced Formula
stringclasses
1 value
split
stringclasses
3 values
source
stringclasses
2 values
space_group
stringclasses
15 values
Material ID
int64
0
6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
0
6.18k
Mn4 Cr2 In2 N4
data_[Mn4Cr2In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9879] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,679
false
3,747
Hf4 Ti2 Sn2 C4
data_[Hf4Ti2Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2688] _cell_length_b [3...
0.792485
N/A
N/A
train
original data
P6_3/mmc
4,552
false
3,653
Sc4 Pb2 C2
data_[Sc4Pb2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3967] _cell_length_b [3.3967] _cell_length_c [15.1092] ...
0.200436
N/A
N/A
train
original data
P6_3/mmc
3,958
false
3,161
Mo8 Pb2 N6
data_[Mo8Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9802] _cell_length_b [2.9802] _cell_length_c [26.1026] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,353
false
2,687
Tl2 Cr2 Mo4 N4
data_[Tl2Cr2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0604] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
88
false
4,968
Sc4 Cr2 In2 N4
data_[Sc4Cr2In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1189] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,919
false
1,527
Zr4 Nb2 As2 N4
data_[Zr4Nb2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3110] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
4,816
false
6,052
Ge2 W4 C2
data_[Ge2W4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1550] _cell_length_b [3.1550] _cell_length_c [12.5115] _c...
0.205932
N/A
N/A
train
original data
P6_3/mmc
1,958
false
1,562
Ti2 Mn4 Sn2 C4
data_[Ti2Mn4Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0690] _cell_length_b [3...
0.210561
N/A
N/A
train
original data
P6_3/mmc
5,148
false
4,123
Sc2 Tl2 Cr2 N2
data_[Sc2Tl2Cr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1198] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
1,051
false
836
Hf4 Sc2 S2 N4
data_[Hf4Sc2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2393] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
3,009
false
2,399
Ti2 Mn2 In2 C2
data_[Ti2Mn2In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1054] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3mc
749
false
593
Sc4 Mo2 As2 N4
data_[Sc4Mo2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2276] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
1,145
false
5,078
Sc4 As2 N2
data_[Sc4As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3309] _cell_length_b [3.3309] _cell_length_c [12.6646] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,276
false
1,811
Hf4 V4 P2 N6
data_[Hf4V4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1580] _cell_length_b [3.158...
1
N/A
N/A
validation
original data
P6_3/mmc
5,439
false
5,515
Pb2 W8 N6
data_[Pb2W8N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8702] _cell_length_b [2.8702] _cell_length_c [28.9667] _c...
0.307412
N/A
N/A
train
original data
P6_3/mmc
1,198
false
945
Si2 Mo4 N2
data_[Si2Mo4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9697] _cell_length_b [2.9697] _cell_length_c [13.0886] ...
0.249391
N/A
N/A
validation
original data
P6_3/mmc
4,885
false
5,469
Ta2 Mn4 P2 C4
data_[Ta2Mn4P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1139] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,855
false
1,475
V4 Cd2 W4 N6
data_[V4Cd2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9135] _cell_length_b [2.913...
1
N/A
N/A
test
original data
P6_3/mmc
1,800
false
5,774
Mn4 P2 N2
data_[Mn4P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.7687] _cell_length_b [2.7687] _cell_length_c [11.6034] _c...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,041
false
3,228
Ta4 Cr4 Si2 C6
data_[Ta4Cr4Si2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0719] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,224
false
968
Cr4 Pb2 W4 N6
data_[Cr4Pb2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9645] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,978
false
3,984
Nb4 Cr2 Si2 N4
data_[Nb4Cr2Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9690] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
3,387
false
2,717
Ta4 Mn2 Ga2 N4
data_[Ta4Mn2Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0026] _cell_length_b [3...
0.303402
N/A
N/A
train
original data
P6_3/mmc
5,049
false
4,042
Sc2 Ta2 As2 N2
data_[Sc2Ta2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2981] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
95
false
77
Ti2 Nb2 Ge2 N2
data_[Ti2Nb2Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1238] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
1,709
false
1,356
Ti16C6N2
data_[Ti16C6N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [6.0581] _cell_length_b [6.0581] _cell_length_c [9.8733] _cel...
0.627899
N/A
null
train
synthetic, MP or NOMAD
P6_3mc
108
false
4,872
Hf2 Pb2 W4 N4
data_[Hf2Pb2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1734] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
756
false
599
Ti8 In2 C6
data_[Ti8In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1175] _cell_length_b [3.1175] _cell_length_c [24.1105] ...
0.224071
N/A
N/A
validation
original data
P6_3/mmc
4,949
false
5,475
Zr2 Sc2 S2 N2
data_[Zr2Sc2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3462] _cell_length_b [3.346...
1
N/A
N/A
train
original data
P6_3mc
885
false
705
Hf2 Mn2 Sn2 N2
data_[Hf2Mn2Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1483] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3mc
5,053
false
4,045
Zr4 Ta2 Ge2 C4
data_[Zr4Ta2Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2761] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,866
false
3,894
Nb2 V4 Si2 C4
data_[Nb2V4Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0440] _cell_length_b [3.0...
0.797026
N/A
N/A
train
original data
P6_3/mmc
927
false
739
Sc4 V4 P2 N6
data_[Sc4V4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0649] _cell_length_b [3.064...
1
N/A
N/A
train
original data
P6_3/mmc
380
false
305
Ti4 Cr4 P2 N6
data_[Ti4Cr4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9834] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
2,475
false
5,215
Mn6 Tl2 N4
data_[Mn6Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0045] _cell_length_b [3.0045] _cell_length_c [16.8889] ...
0.000002
N/A
N/A
train
original data
P6_3/mmc
1,008
false
806
Zr4 Ti2 Ge2 C4
data_[Zr4Ti2Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2574] _cell_length_b [3...
0.78117
N/A
N/A
train
original data
P6_3/mmc
1,976
false
1,577
Hf2 Ta4 As2 N4
data_[Hf2Ta4As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1977] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,133
false
1,701
Zr4 S2 N2
data_[Zr4S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3955] _cell_length_b [3.3955] _cell_length_c [12.0072] _c...
0.29097
N/A
N/A
validation
original data
P6_3/mmc
6,011
false
5,574
Zr4 In2 Mo4 C6
data_[Zr4In2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2121] _cell_length_b [3...
0.795155
N/A
N/A
train
original data
P6_3/mmc
3,409
false
2,729
Nb2 Ge2 W2 N2
data_[Nb2Ge2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2182] _cell_length_b [3.218...
1
N/A
N/A
test
original data
P6_3mc
1,754
false
5,770
Sc2 Mn2 Ge2 C2
data_[Sc2Mn2Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0987] _cell_length_b [3.0...
0.20082
N/A
N/A
train
original data
P6_3mc
435
false
347
Nb4 Cr4 P2 C6
data_[Nb4Cr4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0913] _cell_length_b [3.0...
0.762137
N/A
N/A
train
original data
P6_3/mmc
1,687
false
1,336
Zr4 Ti4 Ge2 C6
data_[Zr4Ti4Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2421] _cell_length_b [3...
0.787968
N/A
N/A
train
original data
P6_3/mmc
4,996
false
3,998
Nb2 Tl2 V4 N4
data_[Nb2Tl2V4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0668] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,268
false
2,619
Hf4 Ta2 Ga2 C4
data_[Hf4Ta2Ga2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2572] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
3,474
false
5,315
V8 Cd2 N6
data_[V8Cd2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9508] _cell_length_b [2.9508] _cell_length_c [23.1871] _c...
0.271984
N/A
N/A
train
original data
P6_3/mmc
47
false
39
Hf4 Zr2 Si2 C4
data_[Hf4Zr2Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3153] _cell_length_b [3...
0.793997
N/A
N/A
test
original data
P6_3/mmc
4,726
false
6,041
Sc2 Nb4 Tl2 C4
data_[Sc2Nb4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2380] _cell_length_b [3...
0.797948
N/A
N/A
test
original data
P6_3/mmc
535
false
5,655
Ti2 Mn4 Ge2 C4
data_[Ti2Mn4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9501] _cell_length_b [2...
0.222035
N/A
N/A
train
original data
P6_3/mmc
3,566
false
2,853
Sc2 V4 Ge2 N4
data_[Sc2V4Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9930] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
371
false
298
Nb4 Sn2 W4 C6
data_[Nb4Sn2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1806] _cell_length_b [3.1...
0.796564
N/A
N/A
train
original data
P6_3/mmc
1,788
false
1,420
Nb8 Ga2 C6
data_[Nb8Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1532] _cell_length_b [3.1532] _cell_length_c [24.0471] ...
0.207669
N/A
N/A
train
original data
P6_3/mmc
4,970
false
3,977
Hf2 V2 As2 N2
data_[Hf2V2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2675] _cell_length_b [3.267...
1
N/A
N/A
train
original data
P6_3mc
3,222
false
2,577
Hf4 Tl2 Cr2 C4
data_[Hf4Tl2Cr2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2301] _cell_length_b [3...
0.760334
N/A
N/A
train
original data
P6_3/mmc
5,132
false
4,111
Cr4Ga2C2
data_[Cr4Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8700] _cell_length_b [2.8700] _cell_length_c [12.5233] ...
0.670727
N/A
null
validation
synthetic, MP or NOMAD
P6_3/mmc
15
false
5,575
Sc4 Nb2 Pb2 C4
data_[Sc4Nb2Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2869] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
318
false
252
Sc4 Ge2 Mo4 N6
data_[Sc4Ge2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0905] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,958
false
2,362
V2 P2 W4 N4
data_[V2P2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9873] _cell_length_b [2.9873]...
1
N/A
N/A
test
original data
P6_3/mmc
5,896
false
6,167
Ta4 Cr2 Cd2 C4
data_[Ta4Cr2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1085] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
822
false
649
Hf4 P2 W2 C4
data_[Hf4P2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3170] _cell_length_b [3.317...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
5,309
false
5,506
Zr4 Mn2 Tl2 C4
data_[Zr4Mn2Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2701] _cell_length_b [3...
0.219806
N/A
N/A
train
original data
P6_3/mmc
4,877
false
3,904
Sc4 Ti2 P2 C4
data_[Sc4Ti2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2125] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,389
false
1,101
Ti2 V2 Ga2 N2
data_[Ti2V2Ga2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9583] _cell_length_b [2.958...
1
N/A
N/A
train
original data
P6_3mc
1,449
false
1,147
Hf4 Ta4 Al2 C6
data_[Hf4Ta4Al2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1983] _cell_length_b [3...
0.793208
N/A
N/A
train
original data
P6_3/mmc
4,908
false
3,929
Ti2 V2 P2 C2
data_[Ti2V2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1129] _cell_length_b [3.1129]...
0.795593
N/A
N/A
train
original data
P6_3mc
4,396
false
3,521
Al2 Mo8 C6
data_[Al2Mo8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1072] _cell_length_b [3.1072] _cell_length_c [23.3011] ...
0.210703
N/A
N/A
train
original data
P6_3/mmc
1,841
false
1,467
Hf2 Cr2 Si2 C2
data_[Hf2Cr2Si2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1019] _cell_length_b [3.1...
0.761295
N/A
N/A
test
original data
P6_3mc
395
false
5,630
Sc4 Sn2 N2
data_[Sc4Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2861] _cell_length_b [3.2861] _cell_length_c [14.4815] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,746
false
4,603
Nb4 In2 W2 C4
data_[Nb4In2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1246] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,950
false
3,959
V2 Cr2 Ge2 C2
data_[V2Cr2Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9710] _cell_length_b [2.971...
0.756152
N/A
N/A
train
original data
P6_3mc
1,693
false
1,342
Nb4 Tl2 Cr2 N4
data_[Nb4Tl2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0577] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,244
false
3,400
V2 In2 Mo2 N2
data_[V2In2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0950] _cell_length_b [3.095...
1
N/A
N/A
train
original data
P6_3mc
2,332
false
1,858
V4 Cr2 Pb2 N4
data_[V4Cr2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0885] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
641
false
505
Pb2 W4 N2
data_[Pb2W4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3490] _cell_length_b [3.3490] _cell_length_c [13.1444] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
936
false
746
Sc4 Ge2 Mo2 N4
data_[Sc4Ge2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1722] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
647
false
510
Mn2 V2 Cd2 C2
data_[Mn2V2Cd2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9587] _cell_length_b [2.958...
0.19983
N/A
N/A
train
original data
P6_3mc
4,340
false
3,474
Zr2 Nb4 S2 N4
data_[Zr2Nb4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2120] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
5,159
false
4,133
Zr4 Ta2 As2 C4
data_[Zr4Ta2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3600] _cell_length_b [3...
0.798047
N/A
N/A
train
original data
P6_3/mmc
5,154
false
4,128
V2 Cr2 Ga2 N2
data_[V2Cr2Ga2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8877] _cell_length_b [2.887...
1
N/A
N/A
train
original data
P6_3mc
1,392
false
1,104
V4Ga2C2
data_[V4Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9333] _cell_length_b [2.9333] _cell_length_c [12.8289] _c...
0.660661
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
76
false
4,848
Nb4 Tl2 W4 C6
data_[Nb4Tl2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1617] _cell_length_b [3.1...
0.793647
N/A
N/A
train
original data
P6_3/mmc
31
false
27
Ta6 Sn2 C4
data_[Ta6Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1756] _cell_length_b [3.1756] _cell_length_c [19.5166] ...
0.202619
N/A
N/A
test
original data
P6_3/mmc
3,789
false
5,957
Sc2 Al2 Mo4 C4
data_[Sc2Al2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0564] _cell_length_b [3...
0.795073
N/A
N/A
train
original data
P6_3/mmc
5,182
false
4,151
Hf2 Ta4 C4 S2
data_[Hf2Ta4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2245] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,291
false
4,237
Mn4 Sn2 Mo4 C6
data_[Mn4Sn2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0884] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,167
false
3,334
Nb4 Ga2 Mo2 C4
data_[Nb4Ga2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1064] _cell_length_b [3...
0.796225
N/A
N/A
train
original data
P6_3/mmc
3,971
false
3,173
Tl2 Mo4 N2
data_[Tl2Mo4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2876] _cell_length_b [3.2876] _cell_length_c [13.3067] ...
0.306203
N/A
N/A
train
original data
P6_3/mmc
3,774
false
3,021
Mn2 Ga2 W4 C4
data_[Mn2Ga2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9844] _cell_length_b [2.9...
0.21639
N/A
N/A
train
original data
P6_3/mmc
2,675
false
2,136
Sc2 V2 As2 C2
data_[Sc2V2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2081] _cell_length_b [3.208...
0.794392
N/A
N/A
train
original data
P6_3mc
4,164
false
3,331
Sc4 Sn2 Mo2 C4
data_[Sc4Sn2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2290] _cell_length_b [3...
0.79583
N/A
N/A
train
original data
P6_3/mmc
5,276
false
4,226
Ti4 As2 C2
data_[Ti4As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1852] _cell_length_b [3.1852] _cell_length_c [12.1373] ...
0.213743
N/A
N/A
test
original data
P6_3/mmc
5,341
false
6,110
Hf4 Zr4 Pb2 C6
data_[Hf4Zr4Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3504] _cell_length_b [3...
0.795764
N/A
N/A
train
original data
P6_3/mmc
3,260
false
2,611
Sc8 Ge2 N6
data_[Sc8Ge2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2056] _cell_length_b [3.2056] _cell_length_c [23.9967] ...
0.236842
N/A
N/A
test
original data
P6_3/mmc
3,771
false
5,955
Zr4 Cr4 In2 C6
data_[Zr4Cr4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2017] _cell_length_b [3...
0.762211
N/A
N/A
validation
original data
P6_3/mmc
1,294
false
5,093
Sc2 Ta4 Ga2 C4
data_[Sc2Ta4Ga2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1843] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,297
false
1,831
Ta4 Ti4 C6 S2
data_[Ta4Ti4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1698] _cell_length_b [3.1...
0.798068
N/A
N/A
test
original data
P6_3/mmc
226
false
5,612
Nb4 In2 Mo2 C4
data_[Nb4In2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1409] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,824
false
1,454
In2 Mo8 C6
data_[In2Mo8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1548] _cell_length_b [3.1548] _cell_length_c [23.7937] ...
0.222878
N/A
N/A
train
original data
P6_3/mmc
2,769
false
2,215
Zr4 Ta4 P2 N6
data_[Zr4Ta4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2086] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
428
false
340