Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
stringlengths
4
14
CIF
stringlengths
825
3.16k
matches_count_scaled
float64
0
1
Database
stringclasses
1 value
Reduced Formula
stringclasses
1 value
split
stringclasses
3 values
source
stringclasses
2 values
space_group
stringclasses
15 values
Material ID
int64
0
6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
0
6.18k
Hf2 Cr2 Pb2 C2
data_[Hf2Cr2Pb2C2] 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 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 [3.2649] _cell_length_b [3.2...
0.757268
N/A
N/A
train
original data
P6_3mc
5,473
false
4,383
Ga2 Mo4 W4 C6
data_[Ga2Mo4W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1207] _cell_length_b [3.1...
0.793509
N/A
N/A
train
original data
P6_3/mmc
1,436
false
1,138
Ta4 Tl2 W2 C4
data_[Ta4Tl2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 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 [3.1283] _cell_length_b [3.1...
0.796129
N/A
N/A
test
original data
P6_3/mmc
5,569
false
6,130
Cr2 Mo2 S2 N2
data_[Cr2Mo2S2N2] 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 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 [3.0924] _cell_length_b [3.092...
1
N/A
N/A
train
original data
P6_3mc
4,455
false
3,569
Ta4 Cr2 C4 S2
data_[Ta4Cr2C4S2] 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 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 [3.1281] _cell_length_b [3.1...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,511
false
2,808
Hf4 Sn2 Mo2 C4
data_[Hf4Sn2Mo2C4] 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 [3.2843] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,788
false
3,834
V4 Cd2 W4 C6
data_[V4Cd2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9915] _cell_length_b [2.991...
0.795252
N/A
N/A
train
original data
P6_3/mmc
8
false
6
Cr4 Cd2 W4 N6
data_[Cr4Cd2W4N6] 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 [2.8163] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
420
false
333
Mn8 As2 C6
data_[Mn8As2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9587] _cell_length_b [2.9587] _cell_length_c [20.1143] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
2,305
false
1,837
Hf2 Mn4 Pb2 N4
data_[Hf2Mn4Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1503] _cell_length_b [3...
0.248844
N/A
N/A
train
original data
P6_3/mmc
4,357
false
3,487
Sc2 Mn4 As2 N4
data_[Sc2Mn4As2N4] 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 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 [3.0514] _cell_length_b [3...
0.307412
N/A
N/A
validation
original data
P6_3/mmc
4,016
false
5,379
Nb4 V4 Ge2 N6
data_[Nb4V4Ge2N6] 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 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 [3.0878] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3/mmc
3,364
false
5,917
Cr2 Ge2 Mo2 C2
data_[Cr2Ge2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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_3mc] _cell_length_a [3.0395] _cell_length_b [3.0...
0.766335
N/A
N/A
train
original data
P6_3mc
1,092
false
867
Hf4 Ti2 S2 N4
data_[Hf4Ti2S2N4] 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 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 [3.1741] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,116
false
886
Zr6 Tl2 C4
data_[Zr6Tl2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3765] _cell_length_b [3.3765] _cell_length_c [20.4875] ...
0.214007
N/A
N/A
train
original data
P6_3/mmc
5,527
false
4,429
Hf2 Ta2 As2 N2
data_[Hf2Ta2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3571] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
2,699
false
2,158
Ti2 In2 Mo4 N4
data_[Ti2In2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0379] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,369
false
3,499
Ti6 Sn2 N4
data_[Ti6Sn2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0684] _cell_length_b [3.0684] _cell_length_c [18.7643] ...
0.291804
N/A
N/A
train
original data
P6_3/mmc
3,570
false
2,856
Ti4 Mn4 Al2 C6
data_[Ti4Mn4Al2C6] 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 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 [2.9738] _cell_length_b [2...
0.222767
N/A
N/A
train
original data
P6_3/mmc
606
false
474
BBrN2Sr2
data_[Sr6B3Br3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1492] _cell_length_b [4.1492]...
0.541664
N/A
null
train
synthetic, MP or NOMAD
R-3m
195
true
4,918
Nb2 Cr4 Ge2 C4
data_[Nb2Cr4Ge2C4] 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 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 [3.0663] _cell_length_b [3...
0.758789
N/A
N/A
train
original data
P6_3/mmc
5,596
false
4,482
Hf2 Ti4 Al2 N4
data_[Hf2Ti4Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0762] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,266
false
2,617
Nb2 Cr4 P2 N4
data_[Nb2Cr4P2N4] 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_3/mmc] _cell_length_a [3.0265] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3/mmc
5,037
false
6,074
Nb4 P2 W2 C4
data_[Nb4P2W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1825] _cell_length_b [3.182...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
4,633
false
5,438
Hf4 Sc4 Ga2 N6
data_[Hf4Sc4Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2000] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,077
false
857
Sc4 Ti4 Ga2 N6
data_[Sc4Ti4Ga2N6] 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 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 [3.1033] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,047
false
4,040
Zr10Al6C2
data_[Zr10Al6C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [8.3432] _cell_length_b [8.3432] _cell_length_c [5.6170] ...
0.608207
N/A
null
validation
synthetic, MP or NOMAD
P6_3/mcm
124
false
5,582
Ta4 Al2 W2 C4
data_[Ta4Al2W2C4] 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 [3.0825] _cell_length_b [3.0...
0.798068
N/A
N/A
test
original data
P6_3/mmc
4,904
false
6,060
Mn4 V4 Pb2 N6
data_[Mn4V4Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0211] _cell_length_b [3.0...
0.236842
N/A
N/A
test
original data
P6_3/mmc
2,765
false
5,860
Hf2 Cr2 Sn2 C2
data_[Hf2Cr2Sn2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2452] _cell_length_b [3.2...
0.76935
N/A
N/A
train
original data
P6_3mc
741
false
587
Zr2 Sn2 Mo2 C2
data_[Zr2Sn2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3043] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3mc
1,694
false
1,343
Mn2 V2 S2 N2
data_[Mn2V2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 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 [3.0433] _cell_length_b [3.0433]...
0.307412
N/A
N/A
train
original data
P6_3mc
3,988
false
3,185
Si2 Mo2 W2 C2
data_[Si2Mo2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1142] _cell_length_b [3.114...
0.792398
N/A
N/A
train
original data
P6_3mc
1,362
false
1,080
Zr2 Al2 Mo2 N2
data_[Zr2Al2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1516] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
1,416
false
1,123
Hf4 Ta2 Al2 C4
data_[Hf4Ta2Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2413] _cell_length_b [3...
0.79711
N/A
N/A
test
original data
P6_3/mmc
2,002
false
5,790
Zr6 P2 N4
data_[Zr6P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3336] _cell_length_b [3.3336] _cell_length_c [17.5542] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,819
false
3,855
Ta4 Cr4 C6 S2
data_[Ta4Cr4C6S2] 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 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 [3.0679] _cell_length_b [3.0...
0.755133
N/A
N/A
train
original data
P6_3/mmc
2,844
false
2,271
Zr2 Ge2 Mo4 N4
data_[Zr2Ge2Mo4N4] 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 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 [3.1594] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
5,747
false
6,148
Sc4 In2 Mo4 C6
data_[Sc4In2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1712] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,930
false
3,946
Hf4 V4 Si2 N6
data_[Hf4V4Si2N6] 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 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 [3.0340] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,857
false
2,283
Cr4 P2 N2
data_[Cr4P2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8530] _cell_length_b [2.8530] _cell_length_c [11.4969] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,345
false
4,278
Ta2 Ga2 W4 N4
data_[Ta2Ga2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [2.8671] _cell_length_b [2.8...
0.997076
N/A
N/A
validation
original data
P6_3/mmc
1,151
false
5,081
Ti2 Cr2 Ga2 N2
data_[Ti2Cr2Ga2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9518] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3mc
4,399
false
3,524
Sc8 Ga2 N6
data_[Sc8Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1967] _cell_length_b [3.1967] _cell_length_c [24.5769] ...
0.261319
N/A
N/A
test
original data
P6_3/mmc
869
false
5,684
Ti4 V2 Ga2 C4
data_[Ti4V2Ga2C4] 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 [3.0498] _cell_length_b [3.0...
0.798068
N/A
N/A
test
original data
P6_3/mmc
1,011
false
5,693
Sc2 Mn2 Sn2 C2
data_[Sc2Mn2Sn2C2] 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 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1863] _cell_length_b [3.1...
0.205545
N/A
N/A
train
original data
P6_3mc
634
false
498
Ti2SbC
data_[Ti6Sb3C3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.2045] _cell_length_b [3.2045] _cell_length_c [20.0052] _cel...
0.937774
N/A
null
validation
synthetic, MP or NOMAD
R-3m
113
false
5,581
Hf8 P2 C6
data_[Hf8P2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3550] _cell_length_b [3.3550] _cell_length_c [22.7073] _c...
0.218117
N/A
N/A
train
original data
P6_3/mmc
1,146
false
908
Hf4 Ti2 As2 N4
data_[Hf4Ti2As2N4] 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 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 [3.2672] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,159
false
2,525
Mn4 Cr2 Cd2 N4
data_[Mn4Cr2Cd2N4] 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 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 [2.9620] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
161
false
128
Ti8 Ge2 C6
data_[Ti8Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0920] _cell_length_b [3.0920] _cell_length_c [22.8689] ...
0.222634
N/A
N/A
train
original data
P6_3/mmc
4,089
false
3,266
Cr4 Mo4 Pb2 N6
data_[Cr4Mo4Pb2N6] 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 [2.9930] _cell_length_b [2...
1
N/A
N/A
test
original data
P6_3/mmc
3,803
false
5,959
Ta4 Nb4 Si2 N6
data_[Ta4Nb4Si2N6] 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 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 [3.1217] _cell_length_b [3...
0.997076
N/A
N/A
train
original data
P6_3/mmc
670
false
532
Ti2 Tl2 V4 C4
data_[Ti2Tl2V4C4] 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 [3.0716] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,789
false
4,635
Mo8 As2 N6
data_[Mo8As2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9122] _cell_length_b [2.9122] _cell_length_c [24.9761] ...
0.302758
N/A
N/A
train
original data
P6_3/mmc
4,190
false
3,353
Hf4 Mo4 Pb2 N6
data_[Hf4Mo4Pb2N6] 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 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 [3.3255] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,809
false
3,046
Sc4 Mn2 Ga2 C4
data_[Sc4Mn2Ga2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1031] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,087
false
3,265
Ta8 Ge2 C6
data_[Ta8Ge2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1780] _cell_length_b [3.1780] _cell_length_c [23.3858] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,703
false
1,350
Sc2 W4 C4 S2
data_[Sc2W4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1500] _cell_length_b [3.150...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,351
false
3,482
Mn4 V4 As2 C6
data_[Mn4V4As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9535] _cell_length_b [2.9...
0.201072
N/A
N/A
train
original data
P6_3/mmc
5,436
false
4,354
Sc4 Ta2 As2 C4
data_[Sc4Ta2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2503] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,393
false
4,318
V8 In2 N6
data_[V8In2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9814] _cell_length_b [2.9814] _cell_length_c [22.8435] _c...
0.293402
N/A
N/A
train
original data
P6_3/mmc
4,276
false
3,425
Zr4 As2 W2 N4
data_[Zr4As2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3345] _cell_length_b [3.3...
1
N/A
N/A
validation
original data
P6_3/mmc
2,207
false
5,191
Ti4 Mn4 As2 N6
data_[Ti4Mn4As2N6] 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 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 [3.0240] _cell_length_b [3...
0.288429
N/A
N/A
validation
original data
P6_3/mmc
1,685
false
5,138
Ta4 In2 Mo2 C4
data_[Ta4In2Mo2C4] 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 [3.1328] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,344
false
2,679
V4 Cr4 Sn2 N6
data_[V4Cr4Sn2N6] 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 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 [3.0213] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,486
false
1,985
Mn4 Al2 Mo4 C6
data_[Mn4Al2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0472] _cell_length_b [3...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
905
false
5,051
Nb4 Ga2 W4 N6
data_[Nb4Ga2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 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 [2.8948] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
5,232
false
4,191
Ti2 Cr4 Cd2 C4
data_[Ti2Cr4Cd2C4] 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 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 [2.9661] _cell_length_b [2...
0.760726
N/A
N/A
train
original data
P6_3/mmc
3,327
false
2,665
Mn2 Al2 V2 C2
data_[Mn2Al2V2C2] 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 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 [2.8636] _cell_length_b [2.863...
0.236842
N/A
N/A
train
original data
P6_3mc
1,053
false
837
Hf6 Ge2 C4
data_[Hf6Ge2C4] 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 [3.3092] _cell_length_b [3.3092] _cell_length_c [18.8095] ...
0.209473
N/A
N/A
train
original data
P6_3/mmc
5,372
false
4,301
Ti2 Nb4 Sn2 C4
data_[Ti2Nb4Sn2C4] 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 [3.1591] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,767
false
2,213
Ti2 Mn2 Cd2 N2
data_[Ti2Mn2Cd2N2] 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 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0208] _cell_length_b [3.0...
0.236842
N/A
N/A
test
original data
P6_3mc
5,121
false
6,082
Hf4 In2 Mo2 C4
data_[Hf4In2Mo2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2570] _cell_length_b [3...
0.792989
N/A
N/A
train
original data
P6_3/mmc
1,500
false
1,189
Ta2 Ti2 Ge2 C2
data_[Ta2Ti2Ge2C2] 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_3mc] _cell_length_a [3.1247] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3mc
5,327
false
4,266
Ti2 W2 C2 S2
data_[Ti2W2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.2088] _cell_length_b [3.2088]...
0.796347
N/A
N/A
test
original data
P6_3mc
785
false
5,672
Ti4 Pb2 W4 C6
data_[Ti4Pb2W4C6] 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 [3.1359] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,898
false
2,314
Zr4 Ga2 W2 N4
data_[Zr4Ga2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1827] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,905
false
3,119
Ti4 Cd2 N2
data_[Ti4Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0685] _cell_length_b [3.0685] _cell_length_c [14.1357] ...
0.279479
N/A
N/A
train
original data
P6_3/mmc
5,136
false
4,114
Ta2 Cr4 Ga2 N4
data_[Ta2Cr4Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0271] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,740
false
2,190
Mn4 Mo2 C4 S2
data_[Mn4Mo2C4S2] 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 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 [3.0797] _cell_length_b [3.0...
0.22048
N/A
N/A
train
original data
P6_3/mmc
3,295
false
2,637
Ta2 V2 Si2 C2
data_[Ta2V2Si2C2] 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 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 [3.0977] _cell_length_b [3.097...
0.796827
N/A
N/A
train
original data
P6_3mc
845
false
669
Ta8 Al2 N6
data_[Ta8Al2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0658] _cell_length_b [3.0658] _cell_length_c [24.4885] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
1,999
false
1,596
Ta4 Ga2 W2 C4
data_[Ta4Ga2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.0923] _cell_length_b [3.0...
0.797335
N/A
N/A
validation
original data
P6_3/mmc
1,979
false
5,164
Zr4 Mn4 Al2 C6
data_[Zr4Mn4Al2C6] 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 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 [3.1535] _cell_length_b [3...
0.209615
N/A
N/A
train
original data
P6_3/mmc
484
false
383
Hf4 V2 Si2 C4
data_[Hf4V2Si2C4] 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 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 [3.1818] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,546
false
4,445
Zr4 Sc4 Ga2 C6
data_[Zr4Sc4Ga2C6] 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 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 [3.3440] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,218
false
2,573
Nb4 Cd2 W4 N6
data_[Nb4Cd2W4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9346] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
2,347
false
1,872
Ta2 Cr2 C2 S2
data_[Ta2Cr2C2S2] 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 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 [3.1937] _cell_length_b [3.193...
0.755117
N/A
N/A
train
original data
P6_3mc
2,752
false
2,201
Sc4 Nb2 As2 C4
data_[Sc4Nb2As2C4] 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 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 [3.2543] _cell_length_b [3...
0.795724
N/A
N/A
train
original data
P6_3/mmc
1,725
false
1,370
Ta2 Cr4 Si2 C4
data_[Ta2Cr4Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0381] _cell_length_b [3...
0.763284
N/A
N/A
train
original data
P6_3/mmc
5,299
false
4,245
Ta2 Nb2 In2 C2
data_[Ta2Nb2In2C2] 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 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 [3.1805] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3mc
1,629
false
1,296
Ti6 Ga2 C4
data_[Ti6Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0860] _cell_length_b [3.0860] _cell_length_c [18.3486] ...
0.216936
N/A
N/A
train
original data
P6_3/mmc
4,186
false
3,349
Mn4 Tl2 V2 N4
data_[Mn4Tl2V2N4] 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 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 [3.0275] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,676
false
2,944
Hf2 V4 Sn2 C4
data_[Hf2V4Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1604] _cell_length_b [3.1...
0.793379
N/A
N/A
train
original data
P6_3/mmc
285
false
223
Sc2 V2 Si2 N2
data_[Sc2V2Si2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0156] _cell_length_b [3.015...
1
N/A
N/A
train
original data
P6_3mc
3,149
false
2,517
Zr2 In2 W4 C4
data_[Zr2In2W4C4] 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 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 [3.1265] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,789
false
1,421
Mn4 Ga2 W4 N6
data_[Mn4Ga2W4N6] 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_3/mmc] _cell_length_a [2.8662] _cell_length_b [2.8...
0.268363
N/A
N/A
train
original data
P6_3/mmc
2,092
false
1,670
Ti4 Cd2 Mo4 N6
data_[Ti4Cd2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9747] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
4,556
false
3,656
Ta2 Ti2 In2 C2
data_[Ta2Ti2In2C2] 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 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 [3.1331] _cell_length_b [3.1...
0.793324
N/A
N/A
train
original data
P6_3mc
5,624
false
4,503