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
Hf4 V4 Pb2 N6
data_[Hf4V4Pb2N6] 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 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 [3.1202] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,014
false
2,404
Mn2 V4 Ga2 C4
data_[Mn2V4Ga2C4] 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 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 [2.9377] _cell_length_b [2.9...
0.220351
N/A
N/A
train
original data
P6_3/mmc
5,416
false
4,336
Sc4 Ta4 Pb2 N6
data_[Sc4Ta4Pb2N6] 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 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 [3.1284] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,254
false
2,606
Mn4 In2 Mo2 N4
data_[Mn4In2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_3/mmc] _cell_length_a [2.9987] _cell_length_b [2...
0.287797
N/A
N/A
test
original data
P6_3/mmc
5,458
false
6,122
Hf2 Ti2 Al2 N2
data_[Hf2Ti2Al2N2] 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 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1028] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
623
false
488
Hf2 Al2 V2 C2
data_[Hf2Al2V2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0822] _cell_length_b [3.082...
0.798068
N/A
N/A
train
original data
P6_3mc
1,956
false
1,560
Ta4 Mo2 As2 N4
data_[Ta4Mo2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.2322] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,644
false
4,520
Hf4 Zr4 Ge2 C6
data_[Hf4Zr4Ge2C6] 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 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 [3.3370] _cell_length_b [3...
0.794138
N/A
N/A
train
original data
P6_3/mmc
229
false
183
Zr2 Sc4 Al2 C4
data_[Zr2Sc4Al2C4] 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 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 [3.2995] _cell_length_b [3...
0.792501
N/A
N/A
test
original data
P6_3/mmc
5,426
false
6,120
Ta4 Mn4 P2 N6
data_[Ta4Mn4P2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0116] _cell_length_b [3.0...
0.283554
N/A
N/A
test
original data
P6_3/mmc
2,325
false
5,820
Mn2 Sn2 W2 N2
data_[Mn2Sn2W2N2] 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 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 [3.0832] _cell_length_b [3.083...
0.27521
N/A
N/A
train
original data
P6_3mc
4,139
false
3,310
Ti4 Nb2 Tl2 N4
data_[Ti4Nb2Tl2N4] 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 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 [3.1202] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
5,949
false
5,565
Si2 Mo4 W2 C4
data_[Si2Mo4W2C4] 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 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 [3.0988] _cell_length_b [3.0...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
3,275
false
5,291
Ti2 Mn4 Ga2 N4
data_[Ti2Mn4Ga2N4] 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 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 [2.9167] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,969
false
3,172
Nb4 Cd2 W4 C6
data_[Nb4Cd2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 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 [3.1367] _cell_length_b [3.1...
0.796702
N/A
N/A
train
original data
P6_3/mmc
2,174
false
1,733
Al2 V4 Cr4 N6
data_[Al2V4Cr4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 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 [2.9065] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
883
false
703
Hf4 V2 Sn2 C4
data_[Hf4V2Sn2C4] 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 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 [3.2342] _cell_length_b [3.2...
0.793296
N/A
N/A
train
original data
P6_3/mmc
1,403
false
1,114
Zr4 Ta4 Pb2 N6
data_[Zr4Ta4Pb2N6] 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 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 [3.1950] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,633
false
2,907
Sc2 Ta2 C2 S2
data_[Sc2Ta2C2S2] 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 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3110] _cell_length_b [3.311...
0.792398
N/A
N/A
train
original data
P6_3mc
706
false
561
Nb4GaC2
data_[Nb12Ga3C6] 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 [R-3m] _cell_length_a [3.1338] _cell_length_b [3.1338] _cell_length_c [35.1206] _ce...
0.847664
N/A
null
train
synthetic, MP or NOMAD
R-3m
137
false
4,891
Ta2 V4 S2 N4
data_[Ta2V4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [3.0944] _cell_length_b [3.094...
1
N/A
N/A
train
original data
P6_3/mmc
5,926
false
4,744
Mo2 Pb2 W4 N4
data_[Mo2Pb2W4N4] 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 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 [2.9327] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
3,656
false
2,926
Ta4 Mo4 C6 S2
data_[Ta4Mo4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 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 [3.1801] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,338
false
1,864
Ta4 Mn2 P2 N4
data_[Ta4Mn2P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1027] _cell_length_b [3.1...
0.302468
N/A
N/A
train
original data
P6_3/mmc
3,050
false
2,437
V6 S2 N4
data_[V6S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [2.9901] _cell_length_b [2.9901] _cell_length_c [15.8104] _cel...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,347
false
3,479
Ti2 In2 Mo2 N2
data_[Ti2In2Mo2N2] 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 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 [3.1433] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
2,982
false
2,380
Ti4 Cd2 Mo2 C4
data_[Ti4Cd2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cd 1.6900 1.5500 1.0900 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 [3.1171] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,208
false
2,563
Ta4 P2 N2
data_[Ta4P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1438] _cell_length_b [3.1438] _cell_length_c [12.2475] _c...
0.27316
N/A
N/A
train
original data
P6_3/mmc
5,319
false
4,259
Zr4 Sc2 In2 N4
data_[Zr4Sc2In2N4] 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 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 [3.2784] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,467
false
1,972
Sc2 V2 Ga2 N2
data_[Sc2V2Ga2N2] 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 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 [3.0173] _cell_length_b [3.017...
1
N/A
N/A
train
original data
P6_3mc
633
false
497
Ta8 Si2 N6
data_[Ta8Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.1354] _cell_length_b [3.1354] _cell_length_c [22.7829] ...
0.24749
N/A
N/A
test
original data
P6_3/mmc
2,033
false
5,795
Ti2 Ga2 Mo2 C2
data_[Ti2Ga2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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_3mc] _cell_length_a [3.0554] _cell_length_b [3.0...
0.79502
N/A
N/A
train
original data
P6_3mc
2,574
false
2,051
Sc2 Ta2 Cd2 N2
data_[Sc2Ta2Cd2N2] 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 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1276] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
2,540
false
2,024
Ta2 Mn2 Si2 C2
data_[Ta2Mn2Si2C2] 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 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 [3.1015] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3mc
4,302
false
3,447
Hf2 Nb4 Cd2 N4
data_[Hf2Nb4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 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 [3.1212] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,891
false
3,110
Ta8 Cd2 N6
data_[Ta8Cd2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.0777] _cell_length_b [3.0777] _cell_length_c [25.3484] ...
0.264581
N/A
N/A
validation
original data
P6_3/mmc
1,027
false
5,063
V2 Mo4 P2 C4
data_[V2Mo4P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 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 [3.0480] _cell_length_b [3.048...
0.796838
N/A
N/A
test
original data
P6_3/mmc
4,765
false
6,046
Hf4 Mo2 As2 C4
data_[Hf4Mo2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 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 [3.3403] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,957
false
3,160
Ti2 Cd2 W4 N4
data_[Ti2Cd2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [2.9755] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,120
false
4,102
Zr4 Ti2 As2 N4
data_[Zr4Ti2As2N4] 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 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 [3.2549] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,671
false
2,939
V4 In2 W2 C4
data_[V4In2W2C4] 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 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 [3.0360] _cell_length_b [3.036...
0.79663
N/A
N/A
train
original data
P6_3/mmc
5,666
false
4,539
Sc2 Pb2 W4 C4
data_[Sc2Pb2W4C4] 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 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 [3.2078] _cell_length_b [3.2...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
725
false
5,033
Sc4 Mn4 Ga2 C6
data_[Sc4Mn4Ga2C6] 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 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 [3.0338] _cell_length_b [3...
0.230197
N/A
N/A
train
original data
P6_3/mmc
1,380
false
1,094
V2 Cd2 Mo4 N4
data_[V2Cd2Mo4N4] 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 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 [2.9188] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
2,190
false
1,746
Zr4 Sn2 Mo4 N6
data_[Zr4Sn2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sn 1.9600 1.4500 0.8300 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 [3.2521] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,374
false
3,504
Mn4 V2 Pb2 N4
data_[Mn4V2Pb2N4] 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 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 [3.1272] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,535
false
2,826
Cr6 Pb2 N4
data_[Cr6Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0601] _cell_length_b [3.0601] _cell_length_c [18.1921] ...
0.277245
N/A
N/A
train
original data
P6_3/mmc
125
false
99
Mn4 Al2 Mo2 C4
data_[Mn4Al2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9810] _cell_length_b [2...
0.207679
N/A
N/A
train
original data
P6_3/mmc
3,272
false
2,623
Ti4 Mn4 Sn2 C6
data_[Ti4Mn4Sn2C6] 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 [3.0513] _cell_length_b [3...
0.19983
N/A
N/A
validation
original data
P6_3/mmc
1,669
false
5,133
Nb4 Sn2 Mo4 C6
data_[Nb4Sn2Mo4C6] 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 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 [3.1720] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,785
false
3,027
Hf4 Sc4 Al2 N6
data_[Hf4Sc4Al2N6] 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 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2007] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,597
false
2,070
Mn4 Nb4 C6 S2
data_[Mn4Nb4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 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 [3.1241] _cell_length_b [3.1...
0.221853
N/A
N/A
train
original data
P6_3/mmc
2,391
false
1,909
Nb2 Cr4 Cd2 C4
data_[Nb2Cr4Cd2C4] 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 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 [3.0664] _cell_length_b [3...
0.773426
N/A
N/A
validation
original data
P6_3/mmc
1,140
false
5,077
Cr4 In2 Mo4 C6
data_[Cr4In2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [3.0651] _cell_length_b [3...
0.760715
N/A
N/A
train
original data
P6_3/mmc
2,116
false
1,689
Sc4 Al2 Mo2 C4
data_[Sc4Al2Mo2C4] 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 [3.1672] _cell_length_b [3...
0.798068
N/A
N/A
test
original data
P6_3/mmc
3,156
false
5,906
Cr2 Mo2 P2 C2
data_[Cr2Mo2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 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 [3.0709] _cell_length_b [3.070...
0.755117
N/A
N/A
validation
original data
P6_3mc
594
false
5,023
Mn2 As2 W4 C4
data_[Mn2As2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 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 [3.1383] _cell_length_b [3.1...
0.208443
N/A
N/A
train
original data
P6_3/mmc
5,749
false
4,604
Hf2 Ta2 Pb2 N2
data_[Hf2Ta2Pb2N2] 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 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3578] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
1,364
false
1,082
Nb4 V2 Pb2 N4
data_[Nb4V2Pb2N4] 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 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 [3.1099] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,184
false
3,347
Cr4 Si2 W2 N4
data_[Cr4Si2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 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 [2.8103] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
4,000
false
3,196
Hf2 Zr4 S2 N4
data_[Hf2Zr4S2N4] 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 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 [3.2672] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
3,736
false
2,990
Zr4 Al2 Mo2 N4
data_[Zr4Al2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 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 [3.1950] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,744
false
2,996
Ta4 Nb2 P2 C4
data_[Ta4Nb2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 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 [3.2131] _cell_length_b [3.2...
0.796947
N/A
N/A
train
original data
P6_3/mmc
4,272
false
3,421
Ta2 Tl2 Mo4 C4
data_[Ta2Tl2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 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 [3.1178] _cell_length_b [3...
0.795427
N/A
N/A
train
original data
P6_3/mmc
5,894
false
4,717
Hf4 Tl2 Mo2 C4
data_[Hf4Tl2Mo2C4] 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 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 [3.2790] _cell_length_b [3...
0.796103
N/A
N/A
validation
original data
P6_3/mmc
4,605
false
5,431
Ti2 Al2 V2 N2
data_[Ti2Al2V2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9308] _cell_length_b [2.930...
1
N/A
N/A
train
original data
P6_3mc
416
false
329
Nb4 Tl2 Mo2 C4
data_[Nb4Tl2Mo2C4] 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 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 [3.1608] _cell_length_b [3...
0.796763
N/A
N/A
train
original data
P6_3/mmc
4,132
false
3,303
Si2 Mo2 W4 C4
data_[Si2Mo2W4C4] 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 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 [3.0997] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,420
false
1,935
Zr2 Ta2 Pb2 N2
data_[Zr2Ta2Pb2N2] 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 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3647] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
2,449
false
1,957
Ta4 In2 W2 C4
data_[Ta4In2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.1180] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,512
false
3,620
Ta4 Al2 W4 N6
data_[Ta4Al2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [2.8854] _cell_length_b [2.8...
0.991022
N/A
N/A
train
original data
P6_3/mmc
1,213
false
959
Nb2 Cr4 In2 C4
data_[Nb2Cr4In2C4] 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 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 [3.0954] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,164
false
920
Sn2 W8 N6
data_[Sn2W8N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 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 [2.8742] _cell_length_b [2.8742] _cell_length_c [27.2406] _c...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,517
false
4,420
Ti4 Cr4 S2 N6
data_[Ti4Cr4S2N6] 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 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 [3.0194] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,226
false
2,580
Mn4 V2 As2 N4
data_[Mn4V2As2N4] 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 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 [3.0359] _cell_length_b [3.0...
0.250369
N/A
N/A
train
original data
P6_3/mmc
1,401
false
1,112
Cr2 Pb2 W4 C4
data_[Cr2Pb2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1061] _cell_length_b [3.1...
0.760476
N/A
N/A
train
original data
P6_3/mmc
4,779
false
3,827
Mo2 W2 C2 S2
data_[Mo2W2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3503] _cell_length_b [3.3503]...
0.798068
N/A
N/A
train
original data
P6_3mc
5,664
false
4,537
Ta2 Nb4 Cd2 N4
data_[Ta2Nb4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 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 [3.1118] _cell_length_b [3...
0.997076
N/A
N/A
train
original data
P6_3/mmc
302
false
239
Sc4 V4 Cd2 C6
data_[Sc4V4Cd2C6] 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 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 [3.1504] _cell_length_b [3.1...
0.793764
N/A
N/A
train
original data
P6_3/mmc
2,132
false
1,700
Hf2 Nb4 Al2 C4
data_[Hf2Nb4Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 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 [3.1706] _cell_length_b [3...
0.796741
N/A
N/A
train
original data
P6_3/mmc
515
false
403
Mn2 V2 Sn2 N2
data_[Mn2V2Sn2N2] 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 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 [3.0344] _cell_length_b [3.034...
0.236842
N/A
N/A
train
original data
P6_3mc
3,003
false
2,395
Zr4 Cr4 Ge2 C6
data_[Zr4Cr4Ge2C6] 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 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 [3.0946] _cell_length_b [3...
0.760543
N/A
N/A
train
original data
P6_3/mmc
1,465
false
1,160
Ti2 Si2 W4 C4
data_[Ti2Si2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 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 [3.0571] _cell_length_b [3.0...
0.795167
N/A
N/A
train
original data
P6_3/mmc
5,529
false
4,431
Zr4 Ge2 W4 C6
data_[Zr4Ge2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2290] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,084
false
3,262
Mn4 Nb2 Ge2 N4
data_[Mn4Nb2Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_3/mmc] _cell_length_a [3.1234] _cell_length_b [3...
0.27552
N/A
N/A
train
original data
P6_3/mmc
4,783
false
3,831
Nb4 W2 S2 N4
data_[Nb4W2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 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 [3.0426] _cell_length_b [3.042...
1
N/A
N/A
train
original data
P6_3/mmc
46
false
38
Hf4 Nb4 Cd2 C6
data_[Hf4Nb4Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 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 [3.2429] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
424
false
337
Zr2 Si2 Mo2 C2
data_[Zr2Si2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2364] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
3,072
false
2,456
Cr4 In2 N2
data_[Cr4In2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9905] _cell_length_b [2.9905] _cell_length_c [12.9327] ...
0.275175
N/A
N/A
train
original data
P6_3/mmc
2,962
false
2,365
Sc2 Ti2 P2 N2
data_[Sc2Ti2P2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2228] _cell_length_b [3.222...
1
N/A
N/A
train
original data
P6_3mc
4,109
false
3,283
Zr4 P2 C2
data_[Zr4P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.4551] _cell_length_b [3.4551] _cell_length_c [12.2193] _c...
0.203596
N/A
N/A
train
original data
P6_3/mmc
5,172
false
4,145
Ta2 Tl2 Mo2 N2
data_[Ta2Tl2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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_3mc] _cell_length_a [3.3416] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
5,343
false
4,277
Zr4 Nb4 As2 C6
data_[Zr4Nb4As2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3086] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,749
false
1,390
V2 As2 W4 C4
data_[V2As2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 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 [3.0647] _cell_length_b [3.064...
0.793304
N/A
N/A
train
original data
P6_3/mmc
4,701
false
3,765
Sn2 Mo8 N6
data_[Sn2Mo8N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 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 [2.9355] _cell_length_b [2.9355] _cell_length_c [26.1178] ...
0.248485
N/A
N/A
test
original data
P6_3/mmc
748
false
5,670
Sc2 Cr4 P2 C4
data_[Sc2Cr4P2C4] 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 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 [3.0584] _cell_length_b [3.0...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,432
false
1,134
Nb2 Cr2 C2 S2
data_[Nb2Cr2C2S2] 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 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2330] _cell_length_b [3.233...
0.762879
N/A
N/A
train
original data
P6_3mc
802
false
636
Hf2 Al2 Mo4 N4
data_[Hf2Al2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 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 [3.0901] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,964
false
3,973
Tl2 Mo4 W4 N6
data_[Tl2Mo4W4N6] 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 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 [2.8664] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
82
false
65
Ti2 Sn2 Mo4 N4
data_[Ti2Sn2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 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 [3.0777] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
4,807
false
6,050