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
Hf8 As2 N6
data_[Hf8As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2831] _cell_length_b [3.2831] _cell_length_c [22.9228] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
160
false
127
Ga2 Mo4 W2 C4
data_[Ga2Mo4W2C4] 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 [3.0820] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,737
false
2,991
Ti4 V4 In2 C6
data_[Ti4V4In2C6] 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 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 [3.0613] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,628
false
2,096
Zr4 Nb4 P2 C6
data_[Zr4Nb4P2C6] 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 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 [3.3023] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,690
false
4,558
Sc2 Mn2 Ge2 N2
data_[Sc2Mn2Ge2N2] 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 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 [3.0483] _cell_length_b [3.0...
0.303583
N/A
N/A
train
original data
P6_3mc
1,863
false
1,482
Nb4 S2 N2
data_[Nb4S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1340] _cell_length_b [3.1340] _cell_length_c [12.2771] _c...
0.252121
N/A
N/A
train
original data
P6_3/mmc
5,841
false
4,674
Ta2 Mn4 Cd2 C4
data_[Ta2Mn4Cd2C4] 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 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 [3.0420] _cell_length_b [3...
0.233462
N/A
N/A
train
original data
P6_3/mmc
3,650
false
2,921
V2 Sn2 W4 N4
data_[V2Sn2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0624] _cell_length_b [3.062...
1
N/A
N/A
validation
original data
P6_3/mmc
2,681
false
5,240
Ti2 Mn2 Al2 C2
data_[Ti2Mn2Al2C2] 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_3mc] _cell_length_a [2.9594] _cell_length_b [2.9...
0.203914
N/A
N/A
train
original data
P6_3mc
1,246
false
984
Mn2 Cr2 Cd2 N2
data_[Mn2Cr2Cd2N2] 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_3mc] _cell_length_a [2.9285] _cell_length_b [2.9...
0.284396
N/A
N/A
train
original data
P6_3mc
609
false
477
Ta4 Mn4 Si2 C6
data_[Ta4Mn4Si2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0653] _cell_length_b [3...
0.228309
N/A
N/A
train
original data
P6_3/mmc
5,271
false
4,221
Nb4 Pb2 W2 C4
data_[Nb4Pb2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1813] _cell_length_b [3.1...
0.795411
N/A
N/A
train
original data
P6_3/mmc
5,324
false
4,263
Ti2 Cr2 Sn2 C2
data_[Ti2Cr2Sn2C2] 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 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 [3.1468] _cell_length_b [3.1...
0.755117
N/A
N/A
train
original data
P6_3mc
4,166
false
3,333
Zr4 P2 W4 C6
data_[Zr4P2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2377] _cell_length_b [3.237...
0.798068
N/A
N/A
train
original data
P6_3/mmc
886
false
706
Mn2 Nb4 Tl2 N4
data_[Mn2Nb4Tl2N4] 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 [3.0699] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,231
false
1,777
Hf4 Ti4 P2 N6
data_[Hf4Ti4P2N6] 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 [3.1628] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
255
false
201
Ti4 Mo2 C4 S2
data_[Ti4Mo2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.1873] _cell_length_b [3.1...
0.793351
N/A
N/A
train
original data
P6_3/mmc
5,471
false
4,381
Ti8 S2 N6
data_[Ti8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0716] _cell_length_b [3.0716] _cell_length_c [21.1026] _c...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,069
false
4,058
Sc2 Cr4 Pb2 N4
data_[Sc2Cr4Pb2N4] 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 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 [3.1332] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
4,869
false
5,466
Ti4 Tl2 W2 C4
data_[Ti4Tl2W2C4] 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 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 [3.1490] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,763
false
4,615
Ti2 V4 Sn2 C4
data_[Ti2V4Sn2C4] 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 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 [3.0738] _cell_length_b [3.0...
0.797197
N/A
N/A
train
original data
P6_3/mmc
5,526
false
4,428
Ta2 Ga2 Mo4 N4
data_[Ta2Ga2Mo4N4] 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 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 [2.9251] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,767
false
1,404
Zr4 Si2 W2 C4
data_[Zr4Si2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 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 [3.2420] _cell_length_b [3.2...
0.797747
N/A
N/A
train
original data
P6_3/mmc
2,640
false
2,106
Sc4 Cr4 Ga2 N6
data_[Sc4Cr4Ga2N6] 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 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 [3.0505] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,009
false
807
Hf2 Mn2 P2 C2
data_[Hf2Mn2P2C2] 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_3mc] _cell_length_a [3.2242] _cell_length_b [3.224...
0.19983
N/A
N/A
validation
original data
P6_3mc
3,158
false
5,279
Ta2 As2 W4 N4
data_[Ta2As2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1455] _cell_length_b [3.1...
0.994338
N/A
N/A
train
original data
P6_3/mmc
5,733
false
4,593
Sc2 Ge2 W2 N2
data_[Sc2Ge2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1607] _cell_length_b [3.160...
1
N/A
N/A
test
original data
P6_3mc
2,078
false
5,797
Zr4 In2 C2
data_[Zr4In2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3660] _cell_length_b [3.3660] _cell_length_c [15.1205] ...
0.218561
N/A
N/A
train
original data
P6_3/mmc
4,247
false
3,402
Sc4 W4 S2 N6
data_[Sc4W4S2N6] 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 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 [3.0928] _cell_length_b [3.092...
1
N/A
N/A
train
original data
P6_3/mmc
579
false
449
Ti4 P2 W4 N6
data_[Ti4P2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1146] _cell_length_b [3.114...
1
N/A
N/A
train
original data
P6_3/mmc
4,700
false
3,764
Ta4 Nb2 Ga2 N4
data_[Ta4Nb2Ga2N4] 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_3/mmc] _cell_length_a [2.9831] _cell_length_b [2...
0.997076
N/A
N/A
validation
original data
P6_3/mmc
2,443
false
5,213
Cr4 As2 N2
data_[Cr4As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0254] _cell_length_b [3.0254] _cell_length_c [11.2674] ...
0.294071
N/A
N/A
train
original data
P6_3/mmc
5,587
false
4,475
B6Co2V2
data_[V4Co4B12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.9927] _cell_length_b [17.3906] _cell_length_c [2.9658] _cell...
0.475576
N/A
null
train
synthetic, MP or NOMAD
Cmcm
286
true
4,959
Zr2 V2 Si2 N2
data_[Zr2V2Si2N2] 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 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 [3.1379] _cell_length_b [3.137...
1
N/A
N/A
test
original data
P6_3mc
3,722
false
5,950
Hf4 Sc4 Ge2 N6
data_[Hf4Sc4Ge2N6] 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 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 [3.1917] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,405
false
3,529
Ta2 Cr4 Ge2 C4
data_[Ta2Cr4Ge2C4] 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 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 [3.0667] _cell_length_b [3...
0.764159
N/A
N/A
train
original data
P6_3/mmc
5,191
false
4,157
Ta2 Nb4 Si2 N4
data_[Ta2Nb4Si2N4] 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 [3.1681] _cell_length_b [3...
0.994312
N/A
N/A
train
original data
P6_3/mmc
5,104
false
4,089
Nb2 V2 As2 C2
data_[Nb2V2As2C2] 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_3mc] _cell_length_a [3.2220] _cell_length_b [3.222...
0.796446
N/A
N/A
train
original data
P6_3mc
3,029
false
2,418
Cr4 Ga2 N2
data_[Cr4Ga2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8794] _cell_length_b [2.8794] _cell_length_c [12.3684] ...
0.293974
N/A
N/A
train
original data
P6_3/mmc
4,997
false
3,999
Hf4 Al2 Cr4 C6
data_[Hf4Al2Cr4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 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 [3.1539] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,008
false
3,203
Sc6 P2 N4
data_[Sc6P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2658] _cell_length_b [3.2658] _cell_length_c [17.4376] _c...
0.256789
N/A
N/A
train
original data
P6_3/mmc
5,986
false
4,789
Hf4 Pb2 N2
data_[Hf4Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2961] _cell_length_b [3.2961] _cell_length_c [14.8166] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,936
false
4,752
Ge2 W6 C4
data_[Ge2W6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1147] _cell_length_b [3.1147] _cell_length_c [17.7874] _c...
0.220241
N/A
N/A
test
original data
P6_3/mmc
4,509
false
6,022
Tl2 Cr8 C6
data_[Tl2Cr8C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9668] _cell_length_b [2.9668] _cell_length_c [22.5126] ...
0.171736
N/A
N/A
train
original data
P6_3/mmc
1,045
false
832
Ta4 Ti4 Tl2 C6
data_[Ta4Ti4Tl2C6] 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 [3.1378] _cell_length_b [3...
0.793772
N/A
N/A
train
original data
P6_3/mmc
257
false
202
Ta4 Pb2 W2 C4
data_[Ta4Pb2W2C4] 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 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 [3.1782] _cell_length_b [3.1...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
5,803
false
5,551
Ti2 Mo4 As2 C4
data_[Ti2Mo4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.0890] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,412
false
3,535
V4 Pb2 N2
data_[V4Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1891] _cell_length_b [3.1891] _cell_length_c [12.9698] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,984
false
2,381
Sc2 Mn4 Si2 C4
data_[Sc2Mn4Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0102] _cell_length_b [3...
0.209539
N/A
N/A
train
original data
P6_3/mmc
3,211
false
2,566
Zr4 Nb4 P2 N6
data_[Zr4Nb4P2N6] 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 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 [3.2541] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
1,047
false
834
Hf2 Ta4 As2 C4
data_[Hf2Ta4As2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2912] _cell_length_b [3...
0.7927
N/A
N/A
train
original data
P6_3/mmc
3,898
false
3,115
Ta4 Nb2 Si2 N4
data_[Ta4Nb2Si2N4] 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 [3.0286] _cell_length_b [3...
0.993327
N/A
N/A
train
original data
P6_3/mmc
4,744
false
3,801
Zr4 Nb2 Pb2 C4
data_[Zr4Nb2Pb2C4] 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 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 [3.3321] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,665
false
3,737
Zr8 Tl2 C6
data_[Zr8Tl2C6] 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 [3.3710] _cell_length_b [3.3710] _cell_length_c [25.8602] ...
0.207875
N/A
N/A
train
original data
P6_3/mmc
4,046
false
3,233
Hf2 V4 Si2 C4
data_[Hf2V4Si2C4] 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 [3.0931] _cell_length_b [3.0...
0.795079
N/A
N/A
train
original data
P6_3/mmc
4,646
false
3,723
Mn4 Cr2 P2 C4
data_[Mn4Cr2P2C4] 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 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 [2.9102] _cell_length_b [2.9...
0.171272
N/A
N/A
train
original data
P6_3/mmc
4,543
false
3,646
Si2 Mo8 C6
data_[Si2Mo8C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1187] _cell_length_b [3.1187] _cell_length_c [22.3996] ...
0.225655
N/A
N/A
train
original data
P6_3/mmc
5,420
false
4,340
Sc2 In2 Mo4 N4
data_[Sc2In2Mo4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0384] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,979
false
5,889
B4Mo2O24Pb12
data_[B8Mo4Pb24O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [18.4944] _cell_length_b [6.33...
0.457778
N/A
null
train
synthetic, MP or NOMAD
Cmcm
281
true
4,958
Zr2 Sn2 W4 C4
data_[Zr2Sn2W4C4] 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 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 [3.1995] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,252
false
1,791
Mn2 V2 Pb2 C2
data_[Mn2V2Pb2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1429] _cell_length_b [3.142...
0.236842
N/A
N/A
test
original data
P6_3mc
247
false
5,617
Nb4In2C2
data_[Nb4In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1720] _cell_length_b [3.1720] _cell_length_c [14.3700] ...
0.721961
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
102
false
4,866
Ta2 Cr2 As2 C2
data_[Ta2Cr2As2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2118] _cell_length_b [3.2...
0.755755
N/A
N/A
train
original data
P6_3mc
4,714
false
3,777
Sc2 In2 Mo4 C4
data_[Sc2In2Mo4C4] 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 [3.1238] _cell_length_b [3...
0.794049
N/A
N/A
train
original data
P6_3/mmc
2,064
false
1,649
Ga2 Mo6 C4
data_[Ga2Mo6C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0799] _cell_length_b [3.0799] _cell_length_c [18.2918] ...
0.216745
N/A
N/A
train
original data
P6_3/mmc
5,330
false
4,269
Ti2 Sn2 W2 N2
data_[Ti2Sn2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1763] _cell_length_b [3.176...
1
N/A
N/A
train
original data
P6_3mc
176
false
142
Hf4 Ta4 Ge2 C6
data_[Hf4Ta4Ge2C6] 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 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 [3.2254] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,514
false
1,201
Cd2 Mo6 C4
data_[Cd2Mo6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0694] _cell_length_b [3.0694] _cell_length_c [19.5504] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,413
false
1,929
V6 Si2 C4
data_[V6Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9277] _cell_length_b [2.9277] _cell_length_c [17.0579] _c...
0.215494
N/A
N/A
train
original data
P6_3/mmc
934
false
744
Nb4 V4 Sn2 N6
data_[Nb4V4Sn2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0229] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,647
false
3,724
Mn2 Cr2 Ga2 C2
data_[Mn2Cr2Ga2C2] 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 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 [2.8689] _cell_length_b [2.8...
0.168729
N/A
N/A
train
original data
P6_3mc
2,412
false
1,928
Li2B2C2
data_[Li2B2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.7378] _cell_length_b [2.7378] _cell_length_c [6.9740] _ce...
0.722028
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
83
true
4,852
Ta4 V4 P2 N6
data_[Ta4V4P2N6] 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 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 [3.1020] _cell_length_b [3.102...
1
N/A
N/A
train
original data
P6_3/mmc
1,562
false
1,238
Zr2 Sc4 Si2 C4
data_[Zr2Sc4Si2C4] 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 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 [3.2998] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,385
false
4,313
Nb2 Cr2 Ge2 N2
data_[Nb2Cr2Ge2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0412] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
2,273
false
1,809
Cr4 Sn2 Mo4 N6
data_[Cr4Sn2Mo4N6] 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 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 [2.9744] _cell_length_b [2...
1
N/A
N/A
test
original data
P6_3/mmc
2,803
false
5,869
Sc2 Ga2 W4 C4
data_[Sc2Ga2W4C4] 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 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 [3.0416] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,437
false
3,558
Sc4 Al2 V4 N6
data_[Sc4Al2V4N6] 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 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 [3.0213] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,372
false
2,704
Hf4 Nb2 Tl2 N4
data_[Hf4Nb2Tl2N4] 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 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 [3.2131] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
1,873
false
5,154
Zr4 Ta4 Sn2 N6
data_[Zr4Ta4Sn2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 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 [3.1813] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,231
false
2,585
Hf2 Ga2 W2 C2
data_[Hf2Ga2W2C2] 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 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 [3.1538] _cell_length_b [3.153...
0.794021
N/A
N/A
test
original data
P6_3mc
3,059
false
5,896
Sc6 Pb2 N4
data_[Sc6Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2762] _cell_length_b [3.2762] _cell_length_c [19.8539] ...
0.269473
N/A
N/A
train
original data
P6_3/mmc
177
false
143
Cr4 Pb2 N2
data_[Cr4Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1081] _cell_length_b [3.1081] _cell_length_c [12.7467] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,432
false
4,350
Si64B
data_[Si128B2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [15.4650] _cell_length_b [15.4650] _cell_length_c [10.9354] _cell_angle_alpha [90.0000] _cell_...
0.641108
N/A
null
train
synthetic, MP or NOMAD
R-3m
131
true
4,888
V2B2
data_[V4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0347] _cell_length_b [8.0138] _cell_length_c [2.9595] _cell_angle_alpha [90.0000] _cell_angle...
0.864332
N/A
null
train
synthetic, MP or NOMAD
Cmcm
121
true
4,882
V4 In2 W2 N4
data_[V4In2W2N4] 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 [3.0397] _cell_length_b [3.039...
1
N/A
N/A
train
original data
P6_3/mmc
2,343
false
1,869
V2 Cr4 As2 C4
data_[V2Cr4As2C4] 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 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 [2.9723] _cell_length_b [2.9...
0.760921
N/A
N/A
train
original data
P6_3/mmc
3,488
false
2,794
Sc4 Tl2 V4 N6
data_[Sc4Tl2V4N6] 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 [3.0843] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,498
false
2,800
Ti4 Nb4 P2 C6
data_[Ti4Nb4P2C6] 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 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 [3.1589] _cell_length_b [3.1...
0.793058
N/A
N/A
validation
original data
P6_3/mmc
1,230
false
5,088
Sc2 Al2 W4 C4
data_[Sc2Al2W4C4] 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 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 [3.0304] _cell_length_b [3.0...
0.795546
N/A
N/A
train
original data
P6_3/mmc
391
false
312
Cr8 Ge2 N6
data_[Cr8Ge2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9529] _cell_length_b [2.9529] _cell_length_c [20.6812] ...
0.269848
N/A
N/A
train
original data
P6_3/mmc
2,328
false
1,854
B2C2Fe56Y8
data_[Y16Fe112B4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [12.3536] _cell_length_b [12.35...
0.490327
N/A
null
train
synthetic, MP or NOMAD
Cmmm
209
true
4,924
Zr4 Sc2 Ga2 C4
data_[Zr4Sc2Ga2C4] 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 [3.3353] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,045
false
4,038
Zr4 Nb4 Sn2 C6
data_[Zr4Nb4Sn2C6] 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 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 [3.2674] _cell_length_b [3...
0.798068
N/A
N/A
test
original data
P6_3/mmc
4,293
false
6,001
Mn4 Nb4 Tl2 C6
data_[Mn4Nb4Tl2C6] 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 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...
0.219284
N/A
N/A
validation
original data
P6_3/mmc
3,508
false
5,323
Nb2 V4 Ge2 N4
data_[Nb2V4Ge2N4] 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 [3.0351] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
67
false
4,965
Mn8 Ga2 N6
data_[Mn8Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.7333] _cell_length_b [2.7333] _cell_length_c [22.7287] ...
0.000001
N/A
N/A
test
original data
P6_3/mmc
499
false
5,647
Sc2 Ta4 Cd2 C4
data_[Sc2Ta4Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2107] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,598
false
2,878
Ti4 V2 C4 S2
data_[Ti4V2C4S2] 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 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 [3.1414] _cell_length_b [3.141...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,387
false
1,100
Ta2 Nb4 Tl2 C4
data_[Ta2Nb4Tl2C4] 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 [3.1584] _cell_length_b [3...
0.795195
N/A
N/A
train
original data
P6_3/mmc
2,972
false
2,372