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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float64
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1
Database
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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
Sc2 Mn2 Si2 N2
data_[Sc2Mn2Si2N2] 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_3mc] _cell_length_a [3.0542] _cell_length_b [3.0...
0.290703
N/A
N/A
train
original data
P6_3mc
1,154
false
913
Cr2 Si2 Mo2 N2
data_[Cr2Si2Mo2N2] 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 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 [3.0198] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3mc
1,104
false
5,710
In2 W6 C4
data_[In2W6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1079] _cell_length_b [3.1079] _cell_length_c [19.2259] _c...
0.210791
N/A
N/A
train
original data
P6_3/mmc
5,482
false
4,391
Hf6 Si2 C4
data_[Hf6Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2966] _cell_length_b [3.2966] _cell_length_c [18.6236] ...
0.205599
N/A
N/A
train
original data
P6_3/mmc
555
false
429
Hf4 Zr4 As2 C6
data_[Hf4Zr4As2C6] 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 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 [3.3717] _cell_length_b [3...
0.797968
N/A
N/A
train
original data
P6_3/mmc
3,900
false
3,116
Nb2 V2 Ga2 N2
data_[Nb2V2Ga2N2] 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 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 [3.0396] _cell_length_b [3.039...
1
N/A
N/A
test
original data
P6_3mc
1,367
false
5,732
Mn2 W4 C4 S2
data_[Mn2W4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_3/mmc] _cell_length_a [3.0696] _cell_length_b [3.069...
0.22312
N/A
N/A
train
original data
P6_3/mmc
3,571
false
2,857
Ta2 As2 W4 C4
data_[Ta2As2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.1434] _cell_length_b [3.1...
0.796445
N/A
N/A
train
original data
P6_3/mmc
1,152
false
911
Cr2 Ga2 Mo2 C2
data_[Cr2Ga2Mo2C2] 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 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 [2.9666] _cell_length_b [2.9...
0.756765
N/A
N/A
train
original data
P6_3mc
2,000
false
1,597
V4 Si2 Mo2 C4
data_[V4Si2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0095] _cell_length_b [3.0...
0.793362
N/A
N/A
train
original data
P6_3/mmc
3,912
false
3,126
Sc2 Ti4 Si2 C4
data_[Sc2Ti4Si2C4] 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_3/mmc] _cell_length_a [3.1465] _cell_length_b [3...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
3,951
false
5,372
Mo4 As2 W2 N4
data_[Mo4As2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 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 [2.9173] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
2,568
false
5,229
Sc4 Si2 Mo2 C4
data_[Sc4Si2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1656] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,554
false
1,232
Ti2 Cr2 Si2 N2
data_[Ti2Cr2Si2N2] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9601] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3mc
4,855
false
3,887
Hf2 V4 As2 C4
data_[Hf2V4As2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1768] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,640
false
2,913
Hf2 Ti4 P2 N4
data_[Hf2Ti4P2N4] 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 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 [3.1660] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,646
false
4,522
Sc4 Pb2 W4 C6
data_[Sc4Pb2W4C6] 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 [3.1792] _cell_length_b [3.1...
0.794624
N/A
N/A
train
original data
P6_3/mmc
4,511
false
3,619
Ta2 Nb4 Ge2 C4
data_[Ta2Nb4Ge2C4] 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 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 [3.1508] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,459
false
2,770
Hf4 Cr4 Sn2 N6
data_[Hf4Cr4Sn2N6] 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 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 [3.1619] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
4,191
false
5,396
Zr4 Nb4 Ga2 C6
data_[Zr4Nb4Ga2C6] 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 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 [3.2370] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,315
false
1,043
Nb4 Ge2 C2
data_[Nb4Ge2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2401] _cell_length_b [3.2401] _cell_length_c [12.7205] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,559
false
4,456
Mo4 P2 W4 C6
data_[Mo4P2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [3.0983] _cell_length_b [3.098...
0.795789
N/A
N/A
validation
original data
P6_3/mmc
3,561
false
5,329
Zr2 Ti4 Ga2 N4
data_[Zr2Ti4Ga2N4] 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 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 [3.1015] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,101
false
2,478
Ti2 Nb2 S2 N2
data_[Ti2Nb2S2N2] 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 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 [3.2254] _cell_length_b [3.225...
1
N/A
N/A
train
original data
P6_3mc
365
false
294
Sc2 Si2 W2 N2
data_[Sc2Si2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.1388] _cell_length_b [3.138...
1
N/A
N/A
train
original data
P6_3mc
1,025
false
816
Zr4 Ti4 As2 C6
data_[Zr4Ti4As2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2431] _cell_length_b [3...
0.787151
N/A
N/A
validation
original data
P6_3/mmc
115
false
4,970
Mn4 Mo4 Pb2 N6
data_[Mn4Mo4Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0696] _cell_length_b [3...
0.304889
N/A
N/A
train
original data
P6_3/mmc
3,017
false
2,407
Hf4 Ta4 Ga2 N6
data_[Hf4Ta4Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1797] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
212
false
169
Sc2 Cr2 Cd2 C2
data_[Sc2Cr2Cd2C2] 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 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 [3.1175] _cell_length_b [3.1...
0.766797
N/A
N/A
train
original data
P6_3mc
757
false
600
Ta4 Cr4 Cd2 C6
data_[Ta4Cr4Cd2C6] 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 [3.0584] _cell_length_b [3...
0.755117
N/A
N/A
test
original data
P6_3/mmc
3,166
false
5,907
V2 Ga2 W4 N4
data_[V2Ga2W4N4] 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 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 [2.8679] _cell_length_b [2.867...
1
N/A
N/A
train
original data
P6_3/mmc
309
false
245
Zr4 As2 W4 C6
data_[Zr4As2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2435] _cell_length_b [3.2...
0.792758
N/A
N/A
train
original data
P6_3/mmc
904
false
721
Sc2 Nb4 Cd2 N4
data_[Sc2Nb4Cd2N4] 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 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 [3.0801] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,390
false
1,102
Hf2 Ta4 Ga2 C4
data_[Hf2Ta4Ga2C4] 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 [3.1691] _cell_length_b [3...
0.793492
N/A
N/A
train
original data
P6_3/mmc
3,760
false
3,008
Nb2 Al2 V2 N2
data_[Nb2Al2V2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [2.9789] _cell_length_b [2.978...
1
N/A
N/A
train
original data
P6_3mc
659
false
522
Ta6 S2 N4
data_[Ta6S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.1439] _cell_length_b [3.1439] _cell_length_c [17.2759] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,602
false
2,882
Cr2 Cd2 W4 N4
data_[Cr2Cd2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [2.8457] _cell_length_b [2.8...
1
N/A
N/A
validation
original data
P6_3/mmc
1,305
false
5,094
AlB2Mn2
data_[Mn4Al2B4] 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 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.8713] _cell_length_b [11.0272] _cell_length_c [2.8130] _cel...
0.496904
N/A
null
train
synthetic, MP or NOMAD
Cmmm
212
true
4,925
Mn4 Pb2 W2 N4
data_[Mn4Pb2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1033] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,878
false
3,101
V4 In2 W4 C6
data_[V4In2W4C6] 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 [3.0691] _cell_length_b [3.069...
0.793757
N/A
N/A
train
original data
P6_3/mmc
833
false
659
Sc4 Ti2 Cd2 N4
data_[Sc4Ti2Cd2N4] 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 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 [3.1368] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,625
false
2,900
Sc4 Mn4 Pb2 N6
data_[Sc4Mn4Pb2N6] 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 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 [3.1144] _cell_length_b [3...
0.307412
N/A
N/A
validation
original data
P6_3/mmc
5,405
false
5,513
Sc4 S2 N2
data_[Sc4S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.3442] _cell_length_b [3.3442] _cell_length_c [11.7602] _c...
0.305236
N/A
N/A
train
original data
P6_3/mmc
148
false
117
Zr4 Ti2 P2 C4
data_[Zr4Ti2P2C4] 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 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 [3.3255] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,233
false
4,192
Mn4 Nb2 P2 C4
data_[Mn4Nb2P2C4] 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 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 [3.1155] _cell_length_b [3.1...
0.203552
N/A
N/A
train
original data
P6_3/mmc
2,303
false
1,836
V2 Cr2 P2 N2
data_[V2Cr2P2N2] 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 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 [3.0062] _cell_length_b [3.0062]...
1
N/A
N/A
validation
original data
P6_3mc
2,674
false
5,239
Hf2 Nb2 Sn2 N2
data_[Hf2Nb2Sn2N2] 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 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 [3.3035] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
3,020
false
2,410
Zr4 Mn4 As2 N6
data_[Zr4Mn4As2N6] 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 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 [3.2415] _cell_length_b [3...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
4,939
false
5,472
Hf2 Sc4 Si2 C4
data_[Hf2Sc4Si2C4] 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 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 [3.2802] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,416
false
3,539
Hf8 Ge2 C6
data_[Hf8Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.3088] _cell_length_b [3.3088] _cell_length_c [24.1245] ...
0.210852
N/A
N/A
train
original data
P6_3/mmc
5,703
false
4,570
Tl2 Cr4 Mo2 N4
data_[Tl2Cr4Mo2N4] 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 [3.0977] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,652
false
3,728
Ti4 Nb2 Sn2 C4
data_[Ti4Nb2Sn2C4] 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 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 [3.1760] _cell_length_b [3...
0.798068
N/A
N/A
test
original data
P6_3/mmc
1,348
false
5,729
Zr2 Sc4 Pb2 N4
data_[Zr2Sc4Pb2N4] 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 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 [3.3069] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
1,667
false
5,762
Mn4 Ge2 N2
data_[Mn4Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9272] _cell_length_b [2.9272] _cell_length_c [11.5670] ...
0.000001
N/A
N/A
validation
original data
P6_3/mmc
73
false
4,966
Sc2 V2 Sn2 N2
data_[Sc2V2Sn2N2] 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 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 [3.1695] _cell_length_b [3.169...
1
N/A
N/A
train
original data
P6_3mc
2,072
false
1,657
Sc2 Tl2 V4 N4
data_[Sc2Tl2V4N4] 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 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 [3.0332] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,894
false
2,311
Ta4 V2 Sn2 N4
data_[Ta4V2Sn2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0769] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,710
false
4,574
Mn2 In2 W4 C4
data_[Mn2In2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0737] _cell_length_b [3.0...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,011
false
4,009
Ta4 Ti2 Si2 C4
data_[Ta4Ti2Si2C4] 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 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 [3.1306] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,794
false
4,638
Ta2 Ti4 Tl2 C4
data_[Ta2Ti4Tl2C4] 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 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 [3.1923] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,973
false
3,979
Nb4 Al2 Mo4 C6
data_[Nb4Al2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1268] _cell_length_b [3...
0.795543
N/A
N/A
train
original data
P6_3/mmc
2,077
false
1,659
Ti2 Nb2 Ge2 C2
data_[Ti2Nb2Ge2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1258] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3mc
4,307
false
3,451
Zr4 Cr4 Ga2 C6
data_[Zr4Cr4Ga2C6] 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 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 [3.1847] _cell_length_b [3...
0.762955
N/A
N/A
train
original data
P6_3/mmc
4,947
false
3,958
Mn4 Ga2 Mo4 C6
data_[Mn4Ga2Mo4C6] 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 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 [2.9564] _cell_length_b [2...
0.204836
N/A
N/A
train
original data
P6_3/mmc
2,374
false
1,895
Zr2 V2 Ga2 C2
data_[Zr2V2Ga2C2] 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 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1231] _cell_length_b [3.123...
0.793507
N/A
N/A
train
original data
P6_3mc
2,466
false
1,971
Mn4 Cr2 Ge2 N4
data_[Mn4Cr2Ge2N4] 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 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 [2.9385] _cell_length_b [2...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
3,884
false
5,365
Zr2 V2 In2 C2
data_[Zr2V2In2C2] 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 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 [3.1966] _cell_length_b [3.196...
0.79276
N/A
N/A
train
original data
P6_3mc
4,456
false
3,570
Ta2 V4 In2 C4
data_[Ta2V4In2C4] 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 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...
0.798068
N/A
N/A
test
original data
P6_3/mmc
5,944
false
6,173
Sc4 Mn2 Al2 N4
data_[Sc4Mn2Al2N4] 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 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 [3.0788] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,900
false
3,923
Ta2 Mn2 S2 N2
data_[Ta2Mn2S2N2] 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 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 [3.1675] _cell_length_b [3.167...
0.307412
N/A
N/A
train
original data
P6_3mc
1,076
false
856
Zr4 Mn4 As2 C6
data_[Zr4Mn4As2C6] 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 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 [3.2229] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,393
false
3,520
Zr2 Tl2 W4 C4
data_[Zr2Tl2W4C4] 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 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 [3.1378] _cell_length_b [3.1...
0.797317
N/A
N/A
test
original data
P6_3/mmc
2,503
false
5,838
Ti2 Ga2 W2 C2
data_[Ti2Ga2W2C2] 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 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 [3.0432] _cell_length_b [3.043...
0.792398
N/A
N/A
train
original data
P6_3mc
4,835
false
3,871
Ta2 Cr4 Ga2 C4
data_[Ta2Cr4Ga2C4] 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 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 [3.0423] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,649
false
1,311
Ta2 Mo2 C2 S2
data_[Ta2Mo2C2S2] 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_3mc] _cell_length_a [3.2824] _cell_length_b [3.282...
0.792398
N/A
N/A
train
original data
P6_3mc
1,340
false
1,064
Mn4 Tl2 W4 N6
data_[Mn4Tl2W4N6] 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 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 [2.9965] _cell_length_b [2.9...
0.271511
N/A
N/A
train
original data
P6_3/mmc
940
false
749
Nb2 Cr2 P2 N2
data_[Nb2Cr2P2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1224] _cell_length_b [3.122...
1
N/A
N/A
train
original data
P6_3mc
5,035
false
4,030
Sc4 As2 C2
data_[Sc4As2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3638] _cell_length_b [3.3638] _cell_length_c [13.2556] ...
0.203105
N/A
N/A
train
original data
P6_3/mmc
5,717
false
4,579
Sc2 Nb4 In2 C4
data_[Sc2Nb4In2C4] 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 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 [3.2204] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,319
false
1,047
Zr2 Al2 W2 N2
data_[Zr2Al2W2N2] 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 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 [3.1235] _cell_length_b [3.123...
1
N/A
N/A
train
original data
P6_3mc
1,217
false
963
Zr2 Mn2 Tl2 C2
data_[Zr2Mn2Tl2C2] 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_3mc] _cell_length_a [3.2488] _cell_length_b [3.2...
0.19983
N/A
N/A
train
original data
P6_3mc
2,854
false
2,280
Mn2 Mo2 S2 N2
data_[Mn2Mo2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 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 [3.0668] _cell_length_b [3.066...
0.307412
N/A
N/A
validation
original data
P6_3mc
1,195
false
5,087
Ta4 Sn2 C2
data_[Ta4Sn2C2] 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 [3.2584] _cell_length_b [3.2584] _cell_length_c [13.8090] ...
0.20705
N/A
N/A
train
original data
P6_3/mmc
5,895
false
4,718
Sc2 Ta2 Al2 C2
data_[Sc2Ta2Al2C2] 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 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 [3.1751] _cell_length_b [3.1...
0.797346
N/A
N/A
train
original data
P6_3mc
3,464
false
2,775
Hf4 Ti2 Ga2 C4
data_[Hf4Ti2Ga2C4] 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 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 [3.2270] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,513
false
2,003
Hf4 Sc4 Cd2 C6
data_[Hf4Sc4Cd2C6] 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 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 [3.2960] _cell_length_b [3...
0.794385
N/A
N/A
train
original data
P6_3/mmc
4,563
false
3,660
Zr4 Mn2 Ge2 C4
data_[Zr4Mn2Ge2C4] 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 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 [3.2315] _cell_length_b [3...
0.211461
N/A
N/A
test
original data
P6_3/mmc
5,916
false
6,170
V2 In2 W4 N4
data_[V2In2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9461] _cell_length_b [2.946...
1
N/A
N/A
train
original data
P6_3/mmc
3,888
false
3,107
Cr4 Si2 W4 N6
data_[Cr4Si2W4N6] 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 [2.8104] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
2,762
false
2,209
Nb2 Al2 Cr2 C2
data_[Nb2Al2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 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_3mc] _cell_length_a [3.0074] _cell_length_b [3.0...
0.764657
N/A
N/A
train
original data
P6_3mc
4,192
false
3,354
Tl2 Cr4 N2
data_[Tl2Cr4N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0638] _cell_length_b [3.0638] _cell_length_c [12.8477] ...
0.271481
N/A
N/A
train
original data
P6_3/mmc
2,704
false
2,162
Mo4 As2 W4 C6
data_[Mo4As2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [3.1520] _cell_length_b [3.1...
0.79512
N/A
N/A
train
original data
P6_3/mmc
5,071
false
4,060
Ti2 As2 W2 N2
data_[Ti2As2W2N2] 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 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 [3.1797] _cell_length_b [3.179...
1
N/A
N/A
train
original data
P6_3mc
2,269
false
1,805
Cr2 Sn2 W2 C2
data_[Cr2Sn2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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_3mc] _cell_length_a [3.1181] _cell_length_b [3.118...
0.760739
N/A
N/A
train
original data
P6_3mc
5,590
false
4,477
Hf2 Ta2 Sn2 N2
data_[Hf2Ta2Sn2N2] 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 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 [3.2830] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3mc
1,740
false
5,141
Hf2 Cr2 Ge2 N2
data_[Hf2Cr2Ge2N2] 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 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 [3.1842] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
5,158
false
4,132
Mn4 Nb4 Tl2 N6
data_[Mn4Nb4Tl2N6] 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 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 [3.1399] _cell_length_b [3...
0.253837
N/A
N/A
train
original data
P6_3/mmc
1,963
false
1,566
In2 Mo8 N6
data_[In2Mo8N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8755] _cell_length_b [2.8755] _cell_length_c [26.9789] ...
0.307412
N/A
N/A
validation
original data
P6_3/mmc
4,215
false
5,398
Hf2 V4 Ge2 C4
data_[Hf2V4Ge2C4] 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 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 [3.1167] _cell_length_b [3.1...
0.794393
N/A
N/A
validation
original data
P6_3/mmc
906
false
5,052
Nb2 Tl2 Mo2 N2
data_[Nb2Tl2Mo2N2] 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_3mc] _cell_length_a [3.2729] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3mc
3,802
false
5,354