Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
stringlengths
4
14
CIF
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825
3.16k
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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
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6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
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6.18k
Ta2 V4 Cd2 C4
data_[Ta2V4Cd2C4] 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 [3.0687] _cell_length_b [3.0...
0.79422
N/A
N/A
validation
original data
P6_3/mmc
5,389
false
5,510
Cr2 Sn2 W4 C4
data_[Cr2Sn2W4C4] 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_3/mmc] _cell_length_a [3.0985] _cell_length_b [3.0...
0.755117
N/A
N/A
train
original data
P6_3/mmc
2,170
false
1,730
Nb2 Mo4 Pb2 C4
data_[Nb2Mo4Pb2C4] 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 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 [3.1818] _cell_length_b [3...
0.797116
N/A
N/A
train
original data
P6_3/mmc
1,909
false
1,520
Nb2 Tl2 Cr2 N2
data_[Nb2Tl2Cr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1577] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
3,365
false
2,697
Nb4 Cr4 Sn2 N6
data_[Nb4Cr4Sn2N6] 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 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 [3.1290] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,531
false
2,822
Sc4 Ge2 Mo4 C6
data_[Sc4Ge2Mo4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1290] _cell_length_b [3...
0.793099
N/A
N/A
test
original data
P6_3/mmc
2,200
false
5,808
Sc4 Pb2 W2 N4
data_[Sc4Pb2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2545] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
1,075
false
855
Ti2 Mn2 In2 N2
data_[Ti2Mn2In2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0741] _cell_length_b [3.0...
0.28513
N/A
N/A
train
original data
P6_3mc
3,125
false
2,500
Zr2 Sc2 Pb2 C2
data_[Zr2Sc2Pb2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3979] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3mc
5,162
false
4,136
Ta4 Nb4 Tl2 C6
data_[Ta4Nb4Tl2C6] 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 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 [3.1697] _cell_length_b [3...
0.797734
N/A
N/A
train
original data
P6_3/mmc
5,115
false
4,097
Hf2 Ti4 Cd2 C4
data_[Hf2Ti4Cd2C4] 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 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 [3.1871] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
1,468
false
5,113
Hf2 Mn2 S2 N2
data_[Hf2Mn2S2N2] 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 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 [3.2052] _cell_length_b [3.205...
0.28812
N/A
N/A
train
original data
P6_3mc
3,727
false
2,982
Zr4 Cr2 Ge2 C4
data_[Zr4Cr2Ge2C4] 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 [3.2103] _cell_length_b [3...
0.760756
N/A
N/A
train
original data
P6_3/mmc
4,784
false
3,832
Sc2 Mo4 P2 C4
data_[Sc2Mo4P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 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 [3.1636] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,454
false
1,151
Mn2 Sn2 Mo4 N4
data_[Mn2Sn2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0562] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,801
false
4,643
Sc4 Cr4 Sn2 N6
data_[Sc4Cr4Sn2N6] 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 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 [3.1040] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,000
false
2,392
Hf4 Zr2 Al2 C4
data_[Hf4Zr2Al2C4] 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 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 [3.3054] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,266
false
3,418
Ta4 V4 S2 N6
data_[Ta4V4S2N6] 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 [3.0191] _cell_length_b [3.019...
1
N/A
N/A
test
original data
P6_3/mmc
3,444
false
5,926
Hf2 Nb2 Ge2 C2
data_[Hf2Nb2Ge2C2] 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 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 [3.2339] _cell_length_b [3.2...
0.792398
N/A
N/A
test
original data
P6_3mc
5,830
false
6,163
Ti4 Pb2 N2
data_[Ti4Pb2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2178] _cell_length_b [3.2178] _cell_length_c [13.6795] ...
0.260545
N/A
N/A
test
original data
P6_3/mmc
3,952
false
5,974
Ti4 V2 P2 C4
data_[Ti4V2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1050] _cell_length_b [3.105...
0.795693
N/A
N/A
train
original data
P6_3/mmc
2,630
false
2,098
Ti4 Cr2 Si2 N4
data_[Ti4Cr2Si2N4] 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_3/mmc] _cell_length_a [2.9406] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
5,656
false
4,532
Ti2 Nb2 Si2 C2
data_[Ti2Nb2Si2C2] 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 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 [3.0860] _cell_length_b [3.0...
0.794209
N/A
N/A
train
original data
P6_3mc
1,125
false
890
Ta4 Nb2 Al2 N4
data_[Ta4Nb2Al2N4] 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 [2.9818] _cell_length_b [2...
0.997076
N/A
N/A
validation
original data
P6_3/mmc
126
false
4,975
Hf4 Si2 W4 N6
data_[Hf4Si2W4N6] 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 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 [2.9839] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
760
false
602
Hf2 Tl2 Cr2 N2
data_[Hf2Tl2Cr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2470] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
723
false
573
Zr2 In2 Mo2 N2
data_[Zr2In2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3136] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
1,750
false
1,391
Ta2 Al2 W4 C4
data_[Ta2Al2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0636] _cell_length_b [3.0...
0.796489
N/A
N/A
train
original data
P6_3/mmc
3,990
false
3,186
Mn4 P2 W2 C4
data_[Mn4P2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 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 [3.0364] _cell_length_b [3.036...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,445
false
4,360
Ta4 Ti4 Sn2 N6
data_[Ta4Ti4Sn2N6] 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 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 [3.0502] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,354
false
2,688
V8 Ga2 N6
data_[V8Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9423] _cell_length_b [2.9423] _cell_length_c [22.0853] _c...
0.307412
N/A
N/A
test
original data
P6_3/mmc
4,233
false
5,995
Sc2 Mn2 Al2 C2
data_[Sc2Mn2Al2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0462] _cell_length_b [3.0...
0.2184
N/A
N/A
train
original data
P6_3mc
942
false
751
Nb4 V2 Sn2 C4
data_[Nb4V2Sn2C4] 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 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 [3.1381] _cell_length_b [3.1...
0.792751
N/A
N/A
train
original data
P6_3/mmc
5,373
false
4,302
Hf4 Ga2 Mo4 C6
data_[Hf4Ga2Mo4C6] 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 [3.1671] _cell_length_b [3...
0.795921
N/A
N/A
train
original data
P6_3/mmc
4,654
false
3,729
Hf2 Ti4 Cd2 N4
data_[Hf2Ti4Cd2N4] 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 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 [3.1480] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
54
false
43
Sc4 Si2 Mo2 N4
data_[Sc4Si2Mo2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1462] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,141
false
4,118
Ti4 Al2 Cr2 C4
data_[Ti4Al2Cr2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0060] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,974
false
3,176
Mn2 W2 C2 S2
data_[Mn2W2C2S2] 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_3mc] _cell_length_a [3.2480] _cell_length_b [3.2480]...
0.210804
N/A
N/A
test
original data
P6_3mc
2,185
false
5,806
Ti4 Nb2 Cd2 C4
data_[Ti4Nb2Cd2C4] 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 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 [3.1523] _cell_length_b [3...
0.795365
N/A
N/A
train
original data
P6_3/mmc
5,112
false
4,094
Nb2 Cr2 Ga2 N2
data_[Nb2Cr2Ga2N2] 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 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 [3.0413] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3mc
198
false
4,982
Ti4 V2 S2 N4
data_[Ti4V2S2N4] 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 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 [3.0585] _cell_length_b [3.058...
1
N/A
N/A
train
original data
P6_3/mmc
5,453
false
4,368
Sc2 Cr4 In2 C4
data_[Sc2Cr4In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1048] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,119
false
2,494
Sc2 Cd2 W4 C4
data_[Sc2Cd2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.0693] _cell_length_b [3.0...
0.793432
N/A
N/A
train
original data
P6_3/mmc
465
false
370
Hf4 Mn4 Ga2 N6
data_[Hf4Mn4Ga2N6] 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 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 [3.0784] _cell_length_b [3...
0.254712
N/A
N/A
train
original data
P6_3/mmc
2,637
false
2,104
Zr4 Mn2 Sn2 N4
data_[Zr4Mn2Sn2N4] 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 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 [3.2306] _cell_length_b [3...
0.265256
N/A
N/A
train
original data
P6_3/mmc
268
false
211
Tl2 Mo4 W2 C4
data_[Tl2Mo4W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1247] _cell_length_b [3.1...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
5,740
false
5,546
Ti2 Mn4 Pb2 N4
data_[Ti2Mn4Pb2N4] 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 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 [3.1368] _cell_length_b [3...
0.300372
N/A
N/A
train
original data
P6_3/mmc
1,587
false
1,260
Sc2 Ta4 S2 N4
data_[Sc2Ta4S2N4] 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 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 [3.1283] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,731
false
3,790
Ta2 Al2 W4 N4
data_[Ta2Al2W4N4] 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 [2.8700] _cell_length_b [2.8...
0.995211
N/A
N/A
validation
original data
P6_3/mmc
3,493
false
5,318
Hf2 Zr4 Cd2 N4
data_[Hf2Zr4Cd2N4] 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 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 [3.2339] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
4,920
false
6,063
Ta2 Nb2 Ga2 N2
data_[Ta2Nb2Ga2N2] 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 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9879] _cell_length_b [2.9...
0.993008
N/A
N/A
train
original data
P6_3mc
1,540
false
1,223
Mn8 S2 N6
data_[Mn8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9517] _cell_length_b [2.9517] _cell_length_c [19.3076] _c...
0.000002
N/A
N/A
train
original data
P6_3/mmc
516
false
404
Hf2 Sc4 Al2 N4
data_[Hf2Sc4Al2N4] 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 [3.2047] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
1,854
false
5,780
Ta8 In2 N6
data_[Ta8In2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0903] _cell_length_b [3.0903] _cell_length_c [25.2153] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,586
false
1,259
Ti4 Mn4 Sn2 N6
data_[Ti4Mn4Sn2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0311] _cell_length_b [3...
0.307412
N/A
N/A
train
original data
P6_3/mmc
13
false
9
Nb2 Al2 V2 C2
data_[Nb2Al2V2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0193] _cell_length_b [3.019...
0.792398
N/A
N/A
train
original data
P6_3mc
4,747
false
3,804
Ti2 Mn4 Ga2 C4
data_[Ti2Mn4Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9527] _cell_length_b [2...
0.200571
N/A
N/A
train
original data
P6_3/mmc
2,245
false
1,786
Ta4 Ge2 W4 N6
data_[Ta4Ge2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8998] _cell_length_b [2.8...
0.988505
N/A
N/A
test
original data
P6_3/mmc
245
false
5,616
B6BaNi12
data_[Ba3Ni36B18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [9.6339] _cell_length_b [9.6339] _cell_length_c [7.3992] _ce...
0.654313
N/A
null
train
synthetic, MP or NOMAD
R-3m
155
true
4,904
Sc4 Ta2 Ge2 N4
data_[Sc4Ta2Ge2N4] 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 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 [3.1832] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
4,562
false
5,428
Sc8 Al2 N6
data_[Sc8Al2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1918] _cell_length_b [3.1918] _cell_length_c [24.9391] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,806
false
3,043
Nb4 V2 As2 C4
data_[Nb4V2As2C4] 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 [3.1924] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,045
false
1,633
Hf4 Mn2 P2 C4
data_[Hf4Mn2P2C4] 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 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 [3.2745] _cell_length_b [3.2...
0.206684
N/A
N/A
train
original data
P6_3/mmc
3,964
false
3,167
Sc2 Ta4 Ga2 N4
data_[Sc2Ta4Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0411] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,095
false
4,081
Mn2 Ga2 W2 N2
data_[Mn2Ga2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9733] _cell_length_b [2.973...
0.236842
N/A
N/A
train
original data
P6_3mc
99
false
81
Nb2 Al2 W4 C4
data_[Nb2Al2W4C4] 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 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 [3.0646] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
426
false
339
Ti2 Nb4 Pb2 N4
data_[Ti2Nb4Pb2N4] 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 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 [3.1033] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,701
false
5,853
Sc4 Ta2 C4 S2
data_[Sc4Ta2C4S2] 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_3/mmc] _cell_length_a [3.2939] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,938
false
3,952
Sc4 Ge2 W2 C4
data_[Sc4Ge2W2C4] 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 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 [3.1833] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,974
false
4,779
Ti4 Cr2 Pb2 N4
data_[Ti4Cr2Pb2N4] 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 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 [3.1362] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,585
false
2,866
Sn2 Mo2 W2 N2
data_[Sn2Mo2W2N2] 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 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 [3.2525] _cell_length_b [3.252...
1
N/A
N/A
validation
original data
P6_3mc
1,136
false
5,076
Ta4 Cr2 As2 N4
data_[Ta4Cr2As2N4] 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 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 [3.0740] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,922
false
3,940
Ti4 Sn2 W2 C4
data_[Ti4Sn2W2C4] 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 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 [3.1474] _cell_length_b [3.1...
0.795149
N/A
N/A
train
original data
P6_3/mmc
4,621
false
3,705
Cr4 Mo2 Pb2 N4
data_[Cr4Mo2Pb2N4] 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 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 [3.1473] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,333
false
4,272
Ta4 Pb2 C2
data_[Ta4Pb2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2998] _cell_length_b [3.2998] _cell_length_c [14.0280] ...
0.21626
N/A
N/A
train
original data
P6_3/mmc
2,914
false
2,328
Cr8 Cd2 N6
data_[Cr8Cd2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9632] _cell_length_b [2.9632] _cell_length_c [21.8990] ...
0.27883
N/A
N/A
train
original data
P6_3/mmc
911
false
726
Ti2 As2 W2 C2
data_[Ti2As2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2220] _cell_length_b [3.222...
0.794969
N/A
N/A
train
original data
P6_3mc
3,691
false
2,956
Ta4 Mo4 As2 C6
data_[Ta4Mo4As2C6] 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 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...
0.793411
N/A
N/A
train
original data
P6_3/mmc
4,283
false
3,432
Mn2 Cd2 W2 C2
data_[Mn2Cd2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_3mc] _cell_length_a [2.9869] _cell_length_b [2.986...
0.19983
N/A
N/A
validation
original data
P6_3mc
1,937
false
5,160
Ti4 Tl2 V4 C6
data_[Ti4Tl2V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0622] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
421
false
334
Ta2 Cd2 W4 N4
data_[Ta2Cd2W4N4] 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 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 [2.8951] _cell_length_b [2.8...
0.987279
N/A
N/A
test
original data
P6_3/mmc
1,550
false
5,750
Zr2 Ti2 Ga2 C2
data_[Zr2Ti2Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2035] _cell_length_b [3.2...
0.788155
N/A
N/A
train
original data
P6_3mc
1,793
false
1,425
V4 Ge2 W4 C6
data_[V4Ge2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0647] _cell_length_b [3.064...
0.792398
N/A
N/A
test
original data
P6_3/mmc
2,027
false
5,794
B4Ga4O14Sr2
data_[Sr4Ga8B8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [11.8509] _cell_length_b [8.438...
0.518091
N/A
null
train
synthetic, MP or NOMAD
Cmcm
272
true
4,953
Mn8 Ge2 N6
data_[Mn8Ge2N6] 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 [2.9039] _cell_length_b [2.9039] _cell_length_c [20.4901] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
527
false
410
Cr2 Mo4 Pb2 C4
data_[Cr2Mo4Pb2C4] 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 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 [3.1355] _cell_length_b [3...
0.773187
N/A
N/A
train
original data
P6_3/mmc
3,342
false
2,677
V4 Cr2 P2 C4
data_[V4Cr2P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9985] _cell_length_b [2.998...
0.755411
N/A
N/A
train
original data
P6_3/mmc
4,063
false
3,244
Hf4 Mo4 S2 N6
data_[Hf4Mo4S2N6] 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 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 [3.2261] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3/mmc
4,809
false
5,460
Mn2 As2 W2 C2
data_[Mn2As2W2C2] 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_3mc] _cell_length_a [3.1575] _cell_length_b [3.157...
0.220666
N/A
N/A
train
original data
P6_3mc
985
false
789
Ta2 Ti4 Ge2 C4
data_[Ta2Ti4Ge2C4] 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 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 [3.1311] _cell_length_b [3...
0.797097
N/A
N/A
train
original data
P6_3/mmc
4,482
false
3,591
Ta4 Mo4 S2 N6
data_[Ta4Mo4S2N6] 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 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 [3.1100] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,433
false
2,750
Sc2 Ge2 W4 C4
data_[Sc2Ge2W4C4] 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 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 [3.1475] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,257
false
4,211
Hf4 Mn4 Al2 N6
data_[Hf4Mn4Al2N6] 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 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 [3.0658] _cell_length_b [3...
0.236842
N/A
N/A
test
original data
P6_3/mmc
3,740
false
5,953
Mn2 Cr2 Si2 C2
data_[Mn2Cr2Si2C2] 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 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 [2.8409] _cell_length_b [2.8...
0.168729
N/A
N/A
train
original data
P6_3mc
3,332
false
2,670
Sc2 Ti4 In2 N4
data_[Sc2Ti4In2N4] 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 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 [3.1239] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,896
false
3,114
As2 W4 C2
data_[As2W4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.2525] _cell_length_b [3.2525] _cell_length_c [11.9385] _c...
0.209116
N/A
N/A
test
original data
P6_3/mmc
937
false
5,687
Ta2 Mo4 P2 N4
data_[Ta2Mo4P2N4] 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 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 [3.1620] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3/mmc
5,793
false
6,157
Hf2 Zr4 Sn2 N4
data_[Hf2Zr4Sn2N4] 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 [3.2278] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,587
false
3,679
Mn8 In2 C6
data_[Mn8In2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9842] _cell_length_b [2.9842] _cell_length_c [21.1349] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,461
false
3,575
Zr4 V4 Ge2 C6
data_[Zr4V4Ge2C6] 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 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 [3.1934] _cell_length_b [3.1...
0.79705
N/A
N/A
test
original data
P6_3/mmc
2,320
false
5,819