Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
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4
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CIF
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3.16k
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float64
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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
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6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
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6.18k
Ta2 V2 In2 N2
data_[Ta2V2In2N2] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0920] _cell_length_b [3.092...
1
N/A
N/A
validation
original data
P6_3mc
3,904
false
5,369
Zr4 Sc2 Cd2 C4
data_[Zr4Sc2Cd2C4] 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 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 [3.3413] _cell_length_b [3...
0.795377
N/A
N/A
train
original data
P6_3/mmc
2,281
false
1,816
Zr4 P2 W4 N6
data_[Zr4P2W4N6] 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 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 [3.1854] _cell_length_b [3.185...
1
N/A
N/A
train
original data
P6_3/mmc
1,337
false
1,061
Nb4 Tl2 Mo2 N4
data_[Nb4Tl2Mo2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1725] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,430
false
2,748
Nb4 Mo4 P2 N6
data_[Nb4Mo4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 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 [3.1082] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,350
false
2,685
Hf4 V4 Ga2 C6
data_[Hf4V4Ga2C6] 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 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 [3.1447] _cell_length_b [3.1...
0.795125
N/A
N/A
train
original data
P6_3/mmc
4,739
false
3,797
Hf4 Zr4 Sn2 N6
data_[Hf4Zr4Sn2N6] 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 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 [3.2535] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,036
false
1,626
Hf2 Mn4 C4 S2
data_[Hf2Mn4C4S2] 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 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 [3.1586] _cell_length_b [3.1...
0.220294
N/A
N/A
test
original data
P6_3/mmc
5,109
false
6,080
Mn6 Si2 C4
data_[Mn6Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_3/mmc] _cell_length_a [2.8676] _cell_length_b [2.8676] _cell_length_c [16.1333] ...
0.000002
N/A
N/A
test
original data
P6_3/mmc
5,334
false
6,107
Mn4 In2 W4 N6
data_[Mn4In2W4N6] 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 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 [2.9625] _cell_length_b [2.9...
0.307412
N/A
N/A
train
original data
P6_3/mmc
312
false
248
Nb2 Cd2 Mo2 C2
data_[Nb2Cd2Mo2C2] 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 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 [3.1432] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3mc
2,876
false
2,297
Nb4 Tl2 Mo4 N6
data_[Nb4Tl2Mo4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9922] _cell_length_b [2...
1
N/A
N/A
test
original data
P6_3/mmc
1,827
false
5,776
Nb4 V4 P2 C6
data_[Nb4V4P2C6] 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 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 [3.0962] _cell_length_b [3.096...
0.79633
N/A
N/A
train
original data
P6_3/mmc
4,407
false
3,530
Mn8 Sn2 C6
data_[Mn8Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0048] _cell_length_b [3.0048] _cell_length_c [20.8171] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
3,726
false
2,981
Ta2 Al2 Cr4 C4
data_[Ta2Al2Cr4C4] 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 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 [3.0181] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
2,342
false
1,868
Hf4 Sc2 As2 C4
data_[Hf4Sc2As2C4] 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 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 [3.3858] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
193
false
153
Mn4 Si2 W4 C6
data_[Mn4Si2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0501] _cell_length_b [3.0...
0.202875
N/A
N/A
train
original data
P6_3/mmc
3,790
false
3,031
Hf2 Sc2 In2 N2
data_[Hf2Sc2In2N2] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2655] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3mc
3,860
false
5,362
Zr2 Sc2 Al2 C2
data_[Zr2Sc2Al2C2] 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_3mc] _cell_length_a [3.3042] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3mc
4,636
false
3,716
Mn8 C6 S2
data_[Mn8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9840] _cell_length_b [2.9840] _cell_length_c [19.2306] _c...
0.000001
N/A
N/A
train
original data
P6_3/mmc
2,804
false
2,238
Zr4 Mn4 S2 N6
data_[Zr4Mn4S2N6] 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 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 [3.1500] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,254
false
991
Nb4 V2 In2 N4
data_[Nb4V2In2N4] 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 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 [3.0545] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,528
false
2,015
Ta2 Ti2 Al2 C2
data_[Ta2Ti2Al2C2] 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 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0692] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3mc
293
false
230
Ti4 Si2 W2 C4
data_[Ti4Si2W2C4] 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 [3.0844] _cell_length_b [3.0...
0.794609
N/A
N/A
validation
original data
P6_3/mmc
5,554
false
5,527
Ti4 Pb2 W2 C4
data_[Ti4Pb2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.1823] _cell_length_b [3.1...
0.796479
N/A
N/A
train
original data
P6_3/mmc
3,719
false
2,977
Zr2 Cr2 Ge2 N2
data_[Zr2Cr2Ge2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1833] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
3,345
false
2,680
V4 Mo4 C6 S2
data_[V4Mo4C6S2] 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 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 [3.0983] _cell_length_b [3.098...
0.794997
N/A
N/A
train
original data
P6_3/mmc
4,238
false
3,394
Ta2 Ti4 Ga2 C4
data_[Ta2Ti4Ga2C4] 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 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 [3.1306] _cell_length_b [3...
0.794383
N/A
N/A
train
original data
P6_3/mmc
3,458
false
2,769
Mn2 Pb2 W4 C4
data_[Mn2Pb2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.1578] _cell_length_b [3.1...
0.219644
N/A
N/A
train
original data
P6_3/mmc
5,985
false
4,788
Sc4 Nb4 Al2 C6
data_[Sc4Nb4Al2C6] 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 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 [3.2150] _cell_length_b [3...
0.794963
N/A
N/A
validation
original data
P6_3/mmc
554
false
5,021
Nb4 As2 W2 C4
data_[Nb4As2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1846] _cell_length_b [3.1...
0.796946
N/A
N/A
train
original data
P6_3/mmc
2,143
false
1,708
Ti4 Mn4 Tl2 N6
data_[Ti4Mn4Tl2N6] 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 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 [3.0218] _cell_length_b [3...
0.239128
N/A
N/A
train
original data
P6_3/mmc
4,115
false
3,289
Zr2 Cr2 S2 N2
data_[Zr2Cr2S2N2] 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 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 [3.2326] _cell_length_b [3.232...
1
N/A
N/A
test
original data
P6_3mc
5,406
false
6,118
Hf4 Ga2 Mo2 C4
data_[Hf4Ga2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2293] _cell_length_b [3...
0.793707
N/A
N/A
train
original data
P6_3/mmc
1,560
false
1,236
Zr2 Si2 Mo4 C4
data_[Zr2Si2Mo4C4] 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_3/mmc] _cell_length_a [3.1618] _cell_length_b [3...
0.793618
N/A
N/A
train
original data
P6_3/mmc
3,887
false
3,106
Zr2 Nb2 As2 C2
data_[Zr2Nb2As2C2] 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_3mc] _cell_length_a [3.3786] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3mc
1,721
false
1,366
Hf2 Sn2 Mo4 C4
data_[Hf2Sn2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1825] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
557
false
431
Ta2 V4 Sn2 C4
data_[Ta2V4Sn2C4] 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 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 [3.1134] _cell_length_b [3.1...
0.798068
N/A
N/A
test
original data
P6_3/mmc
4,462
false
6,018
Hf2 V4 Pb2 N4
data_[Hf2V4Pb2N4] 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 [3.1646] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,274
false
3,423
Sc4 Tl2 C2
data_[Sc4Tl2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3635] _cell_length_b [3.3635] _cell_length_c [15.3219] ...
0.22445
N/A
N/A
train
original data
P6_3/mmc
5,230
false
4,189
Ta2 Si2 Mo4 N4
data_[Ta2Si2Mo4N4] 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 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 [3.1311] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,400
false
3,525
Sc2 Ti2 Si2 C2
data_[Sc2Ti2Si2C2] 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 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 [3.1581] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3mc
1,170
false
924
Ta4 V2 Ga2 N4
data_[Ta4V2Ga2N4] 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 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 [3.0059] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,045
false
3,232
Ta2 In2 Mo4 C4
data_[Ta2In2Mo4C4] 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 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 [3.1054] _cell_length_b [3...
0.795075
N/A
N/A
test
original data
P6_3/mmc
5,883
false
6,165
Sc2 Ge2 Mo4 N4
data_[Sc2Ge2Mo4N4] 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 [3.0470] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,824
false
2,256
Hf2 Sn2 W2 N2
data_[Hf2Sn2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2747] _cell_length_b [3.274...
1
N/A
N/A
test
original data
P6_3mc
50
false
5,598
Zr4 Sc4 In2 C6
data_[Zr4Sc4In2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3646] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
1,772
false
5,144
Zr4 Ti4 Tl2 N6
data_[Zr4Ti4Tl2N6] 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 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 [3.1360] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
2,120
false
5,178
Nb4 Cd2 W2 C4
data_[Nb4Cd2W2C4] 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 [3.1193] _cell_length_b [3.1...
0.796383
N/A
N/A
train
original data
P6_3/mmc
4,476
false
3,585
Al2 W6 C4
data_[Al2W6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 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 [3.0576] _cell_length_b [3.0576] _cell_length_c [18.6353] _c...
0.219909
N/A
N/A
train
original data
P6_3/mmc
5,639
false
4,516
Zr2 Tl2 Mo4 N4
data_[Zr2Tl2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.1588] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,450
false
4,365
Zr4 Nb4 Si2 C6
data_[Zr4Nb4Si2C6] 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 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 [3.2519] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,208
false
3,368
Nb6 S2 N4
data_[Nb6S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1814] _cell_length_b [3.1814] _cell_length_c [16.9587] _c...
0.266563
N/A
N/A
test
original data
P6_3/mmc
3,192
false
5,909
Zr2 Nb4 Si2 C4
data_[Zr2Nb4Si2C4] 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 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 [3.2403] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,965
false
3,168
Cr4 Mo2 As2 C4
data_[Cr4Mo2As2C4] 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 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 [3.1121] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,549
false
3,651
Hf2 Nb4 Si2 N4
data_[Hf2Nb4Si2N4] 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 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 [3.1928] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,446
false
1,954
Nb4 As2 W4 C6
data_[Nb4As2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1857] _cell_length_b [3.1...
0.79687
N/A
N/A
train
original data
P6_3/mmc
4,055
false
3,239
Hf4 Mn2 Pb2 C4
data_[Hf4Mn2Pb2C4] 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 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 [3.2809] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,859
false
1,478
Zr4 Ga2 W4 C6
data_[Zr4Ga2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.1791] _cell_length_b [3.1...
0.79295
N/A
N/A
train
original data
P6_3/mmc
4,458
false
3,572
Sc4 V4 Si2 C6
data_[Sc4V4Si2C6] 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 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 [3.0782] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,986
false
3,183
Ta2 V4 Ga2 C4
data_[Ta2V4Ga2C4] 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 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 [3.0224] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,627
false
2,095
Hf2 V2 Pb2 C2
data_[Hf2V2Pb2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2850] _cell_length_b [3.285...
0.793392
N/A
N/A
train
original data
P6_3mc
2,187
false
1,743
Zr4 V4 P2 C6
data_[Zr4V4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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_3/mmc] _cell_length_a [3.2111] _cell_length_b [3.211...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,021
false
4,018
Nb4 P2 W4 N6
data_[Nb4P2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1013] _cell_length_b [3.101...
1
N/A
N/A
train
original data
P6_3/mmc
1,635
false
1,301
Ti6 Ga2 N4
data_[Ti6Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0111] _cell_length_b [3.0111] _cell_length_c [18.2169] ...
0.241909
N/A
N/A
train
original data
P6_3/mmc
3,448
false
2,760
Ta2 Mn4 As2 C4
data_[Ta2Mn4As2C4] 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 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 [3.1119] _cell_length_b [3...
0.212653
N/A
N/A
train
original data
P6_3/mmc
5,540
false
4,441
Nb4 Pb2 W4 C6
data_[Nb4Pb2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1886] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,068
false
2,452
Mn4 Nb4 S2 N6
data_[Mn4Nb4S2N6] 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 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 [3.0044] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,405
false
1,922
Ti2 Cr4 Ga2 C4
data_[Ti2Cr4Ga2C4] 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 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 [2.9483] _cell_length_b [2...
0.76704
N/A
N/A
train
original data
P6_3/mmc
5,478
false
4,388
Hf2 Ti2 C2 S2
data_[Hf2Ti2C2S2] 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 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 [3.2958] _cell_length_b [3.295...
0.792398
N/A
N/A
train
original data
P6_3mc
4,491
false
3,600
Ta2 Nb2 As2 C2
data_[Ta2Nb2As2C2] 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 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 [3.3304] _cell_length_b [3.3...
0.794934
N/A
N/A
train
original data
P6_3mc
4,068
false
3,247
Sc2 Mn4 Si2 N4
data_[Sc2Mn4Si2N4] 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 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 [2.9258] _cell_length_b [2...
0.236842
N/A
N/A
test
original data
P6_3/mmc
5,204
false
6,094
Hf2 V4 Cd2 N4
data_[Hf2V4Cd2N4] 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 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 [3.0208] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,840
false
1,466
Tl2 V4 Cr2 N4
data_[Tl2V4Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [2.9979] _cell_length_b [2.9...
1
N/A
N/A
test
original data
P6_3/mmc
4,445
false
6,017
Ga2 Mo4 W2 N4
data_[Ga2Mo4W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 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 [2.8278] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
70
false
55
Ti4 Nb4 Al2 C6
data_[Ti4Nb4Al2C6] 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 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 [3.1221] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,129
false
1,697
Al2 Cr2 W4 N4
data_[Al2Cr2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 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 [2.8126] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
2,260
false
1,797
Hf4 In2 Mo2 N4
data_[Hf4In2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.3381] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
5,022
false
6,072
Ta2 Nb4 Al2 N4
data_[Ta2Nb4Al2N4] 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 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 [3.0996] _cell_length_b [3...
0.997076
N/A
N/A
train
original data
P6_3/mmc
3,314
false
2,654
Ta2 Ti4 Cd2 C4
data_[Ta2Ti4Cd2C4] 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 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 [3.1536] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,257
false
3,410
Mn4 Nb4 Sn2 C6
data_[Mn4Nb4Sn2C6] 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 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 [3.1109] _cell_length_b [3...
0.21506
N/A
N/A
train
original data
P6_3/mmc
726
false
575
Ti2 V4 Ga2 C4
data_[Ti2V4Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9798] _cell_length_b [2.9...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,063
false
844
Hf2 Al2 W4 C4
data_[Hf2Al2W4C4] 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 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 [3.0760] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,108
false
2,484
Ti4 Al2 Cr2 N4
data_[Ti4Al2Cr2N4] 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 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 [2.9648] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,775
false
1,410
Ta4 V2 Cd2 C4
data_[Ta4V2Cd2C4] 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 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 [3.1152] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,184
false
1,742
Hf2 P2 W2 C2
data_[Hf2P2W2C2] 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_3mc] _cell_length_a [3.3029] _cell_length_b [3.3029]...
0.792398
N/A
N/A
train
original data
P6_3mc
2,057
false
1,643
Ta6 Al2 C4
data_[Ta6Al2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1001] _cell_length_b [3.1001] _cell_length_c [19.2558] ...
0.212146
N/A
N/A
train
original data
P6_3/mmc
2,424
false
1,939
Nb6 As2 N4
data_[Nb6As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1958] _cell_length_b [3.1958] _cell_length_c [17.5230] ...
0.262859
N/A
N/A
train
original data
P6_3/mmc
2,616
false
2,088
Cr2 P2 W2 N2
data_[Cr2P2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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_3mc] _cell_length_a [2.9186] _cell_length_b [2.9186]...
1
N/A
N/A
train
original data
P6_3mc
4,894
false
3,918
Hf2 V4 As2 N4
data_[Hf2V4As2N4] 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_3/mmc] _cell_length_a [3.1111] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
3,197
false
5,283
Zr2 Ge2 W4 N4
data_[Zr2Ge2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1558] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
2,508
false
5,221
Hf4 Mn4 Sn2 C6
data_[Hf4Mn4Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1830] _cell_length_b [3...
0.19983
N/A
N/A
validation
original data
P6_3/mmc
3,396
false
5,307
Cr4 Pb2 W2 C4
data_[Cr4Pb2W2C4] 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 [3.1440] _cell_length_b [3.1...
0.760837
N/A
N/A
train
original data
P6_3/mmc
1,613
false
1,282
Mn4 Tl2 Cr4 C6
data_[Mn4Tl2Cr4C6] 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 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 [3.0000] _cell_length_b [3...
0.175083
N/A
N/A
train
original data
P6_3/mmc
5,575
false
4,466
Nb2 V4 As2 C4
data_[Nb2V4As2C4] 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 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 [3.1265] _cell_length_b [3.1...
0.797861
N/A
N/A
train
original data
P6_3/mmc
5,186
false
4,153
Mn2 Nb4 As2 C4
data_[Mn2Nb4As2C4] 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 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 [3.2408] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,495
false
1,993
Sc2 Tl2 W2 N2
data_[Sc2Tl2W2N2] 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 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 [3.1674] _cell_length_b [3.167...
1
N/A
N/A
train
original data
P6_3mc
123
false
97
Hf2 Sc4 Ga2 C4
data_[Hf2Sc4Ga2C4] 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 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 [3.2848] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,973
false
3,175
Zr2 V2 S2 N2
data_[Zr2V2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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_3mc] _cell_length_a [3.2602] _cell_length_b [3.2602]...
1
N/A
N/A
train
original data
P6_3mc
3,839
false
3,068
Zr4 Cr2 In2 N4
data_[Zr4Cr2In2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2316] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,975
false
3,981