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
Sc4 Al2 W4 N6
data_[Sc4Al2W4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0322] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
284
false
222
Ta4 Nb2 Cd2 C4
data_[Ta4Nb2Cd2C4] 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 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 [3.1692] _cell_length_b [3...
0.797476
N/A
N/A
train
original data
P6_3/mmc
4,878
false
3,905
Ta4 V2 P2 C4
data_[Ta4V2P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1898] _cell_length_b [3.189...
0.793127
N/A
N/A
train
original data
P6_3/mmc
5,481
false
4,390
Ta2 Nb4 Sn2 C4
data_[Ta2Nb4Sn2C4] 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 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 [3.1767] _cell_length_b [3...
0.797289
N/A
N/A
train
original data
P6_3/mmc
2,264
false
1,800
Zr4 Al2 Mo2 C4
data_[Zr4Al2Mo2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2389] _cell_length_b [3...
0.797839
N/A
N/A
train
original data
P6_3/mmc
5,939
false
4,755
Zr2 Cr4 Pb2 C4
data_[Zr2Cr4Pb2C4] 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 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 [3.2103] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,851
false
3,079
Zr4 Ta4 Tl2 C6
data_[Zr4Ta4Tl2C6] 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 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 [3.2512] _cell_length_b [3...
0.794127
N/A
N/A
train
original data
P6_3/mmc
3,064
false
2,449
Sc4 Sn2 Mo2 N4
data_[Sc4Sn2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2260] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,206
false
953
Ta8 Ga2 C6
data_[Ta8Ga2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1452] _cell_length_b [3.1452] _cell_length_c [23.9993] ...
0.208532
N/A
N/A
validation
original data
P6_3/mmc
5,568
false
5,528
Zr2 Sc4 Sn2 N4
data_[Zr2Sc4Sn2N4] 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 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 [3.2815] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,289
false
2,633
Ta4 Ga2 Mo4 C6
data_[Ta4Ga2Mo4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1388] _cell_length_b [3...
0.796774
N/A
N/A
train
original data
P6_3/mmc
1,353
false
1,074
Nb4 Cr4 S2 N6
data_[Nb4Cr4S2N6] 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 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 [3.1321] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
16
false
12
Ta2 V2 As2 C2
data_[Ta2V2As2C2] 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 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 [3.2284] _cell_length_b [3.228...
0.798068
N/A
N/A
train
original data
P6_3mc
501
false
395
Zr4 Pb2 C2
data_[Zr4Pb2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.4076] _cell_length_b [3.4076] _cell_length_c [14.9514] ...
0.220467
N/A
N/A
train
original data
P6_3/mmc
5,298
false
4,244
Zr6 Tl2 N4
data_[Zr6Tl2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2835] _cell_length_b [3.2835] _cell_length_c [20.4477] ...
0.278146
N/A
N/A
train
original data
P6_3/mmc
2,063
false
1,648
Zr4 Cd2 Mo4 C6
data_[Zr4Cd2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.1867] _cell_length_b [3...
0.793089
N/A
N/A
test
original data
P6_3/mmc
2,529
false
5,841
Zr4 Cr2 P2 C4
data_[Zr4Cr2P2C4] 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 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 [3.2793] _cell_length_b [3.2...
0.764816
N/A
N/A
train
original data
P6_3/mmc
3,707
false
2,967
Zr2 V4 Pb2 C4
data_[Zr2V4Pb2C4] 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 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 [3.2115] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,249
false
4,205
V2 Cd2 Mo4 C4
data_[V2Cd2Mo4C4] 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 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9954] _cell_length_b [2.9...
0.792432
N/A
N/A
validation
original data
P6_3/mmc
3,617
false
5,336
Zr4 V2 As2 N4
data_[Zr4V2As2N4] 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 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 [3.2982] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
5,668
false
4,540
Hf4 Ta2 P2 N4
data_[Hf4Ta2P2N4] 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 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 [3.2653] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
5,234
false
4,193
Cr4 Ga2 W2 C4
data_[Cr4Ga2W2C4] 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 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 [2.9820] _cell_length_b [2.9...
0.767094
N/A
N/A
validation
original data
P6_3/mmc
2,881
false
5,253
Zr8 Ga2 C6
data_[Zr8Ga2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3484] _cell_length_b [3.3484] _cell_length_c [24.9728] ...
0.217191
N/A
N/A
train
original data
P6_3/mmc
5,076
false
4,064
V4 P2 C2
data_[V4P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0648] _cell_length_b [3.0648] _cell_length_c [10.8978] _cel...
0.224102
N/A
N/A
train
original data
P6_3/mmc
4,797
false
3,842
Zr2 Ta4 Al2 C4
data_[Zr2Ta4Al2C4] 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 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 [3.1717] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,434
false
3,555
Hf4 Ti4 Si2 C6
data_[Hf4Ti4Si2C6] 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 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 [3.1890] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,823
false
2,255
Zr2 Cr4 Cd2 N4
data_[Zr2Cr4Cd2N4] 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 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 [3.0964] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
1,911
false
5,157
Cr4Tc2C2
data_[Cr4Tc2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Tc 1.9000 1.3500 0.7417 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [2.8191] _cell_length_b [6.8767] _cell_length_c [4.5601] _ce...
0.457778
N/A
null
train
synthetic, MP or NOMAD
Cmcm
142
false
4,895
Zr2 Ta4 In2 C4
data_[Zr2Ta4In2C4] 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 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 [3.2132] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,457
false
4,372
Sc4 Mn4 As2 C6
data_[Sc4Mn4As2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1107] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,848
false
3,881
Zr4 Nb2 C4 S2
data_[Zr4Nb2C4S2] 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 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 [3.3645] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,236
false
4,195
Ta2 V2 Pb2 C2
data_[Ta2V2Pb2C2] 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 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 [3.2661] _cell_length_b [3.266...
0.792398
N/A
N/A
train
original data
P6_3mc
3,286
false
2,632
Hf4 Ge2 C2
data_[Hf4Ge2C2] 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 [3.2936] _cell_length_b [3.2936] _cell_length_c [13.6111] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,129
false
3,300
Hf4 Sc4 Sn2 N6
data_[Hf4Sc4Sn2N6] 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 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 [3.2355] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,777
false
3,022
Ta4 V2 Ga2 C4
data_[Ta4V2Ga2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0555] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,370
false
4,299
Zr4 Mn2 S2 N4
data_[Zr4Mn2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2409] _cell_length_b [3.2...
0.250562
N/A
N/A
train
original data
P6_3/mmc
808
false
640
Al2B2W2
data_[Al4B4W4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2060] _cell_length_b [13.9174] _cell_length_c [3.1044] _cell_...
0.825869
N/A
null
train
synthetic, MP or NOMAD
Cmcm
30
true
4,823
Mn4 Cr2 Si2 C4
data_[Mn4Cr2Si2C4] 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_3/mmc] _cell_length_a [2.8727] _cell_length_b [2...
0.178311
N/A
N/A
train
original data
P6_3/mmc
338
false
270
V2 Cr4 Si2 C4
data_[V2Cr4Si2C4] 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 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 [2.9007] _cell_length_b [2.9...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,588
false
2,869
Ta4 Tl2 Cr2 C4
data_[Ta4Tl2Cr2C4] 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 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 [3.1307] _cell_length_b [3...
0.772599
N/A
N/A
train
original data
P6_3/mmc
630
false
495
Nb6 Ga2 N4
data_[Nb6Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1091] _cell_length_b [3.1091] _cell_length_c [18.8281] ...
0.298654
N/A
N/A
test
original data
P6_3/mmc
5,459
false
6,123
Ti4 Cr2 C4 S2
data_[Ti4Cr2C4S2] 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 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 [3.1335] _cell_length_b [3.1...
0.755223
N/A
N/A
train
original data
P6_3/mmc
567
false
441
Hf4 Zr4 Cd2 C6
data_[Hf4Zr4Cd2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3211] _cell_length_b [3...
0.797838
N/A
N/A
validation
original data
P6_3/mmc
3,475
false
5,316
Hf4 V2 As2 N4
data_[Hf4V2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2969] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,575
false
3,670
Hf2 Nb2 P2 N2
data_[Hf2Nb2P2N2] 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 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3250] _cell_length_b [3.325...
1
N/A
N/A
train
original data
P6_3mc
4,756
false
3,810
Zr2 As2 W4 N4
data_[Zr2As2W4N4] 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 [3.1678] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,725
false
3,786
Mn2 Ge2 Mo4 N4
data_[Mn2Ge2Mo4N4] 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 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 [2.9237] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
558
false
432
Sc4 Ga2 W4 C6
data_[Sc4Ga2W4C6] 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 [3.1252] _cell_length_b [3.1...
0.796541
N/A
N/A
test
original data
P6_3/mmc
3,975
false
5,977
Ti2 Cr4 Si2 C4
data_[Ti2Cr4Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9384] _cell_length_b [2...
0.755117
N/A
N/A
test
original data
P6_3/mmc
1,074
false
5,703
Zr4 Mo4 Pb2 C6
data_[Zr4Mo4Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2663] _cell_length_b [3...
0.79523
N/A
N/A
validation
original data
P6_3/mmc
1,322
false
5,099
Zr2 Cr2 Ga2 C2
data_[Zr2Cr2Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0894] _cell_length_b [3.0...
0.758657
N/A
N/A
train
original data
P6_3mc
105
false
86
Ta4 Sn2 Mo4 C6
data_[Ta4Sn2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 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 [3.1726] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,038
false
1,628
Sc2 Nb4 C4 S2
data_[Sc2Nb4C4S2] 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 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 [3.2582] _cell_length_b [3.2...
0.79545
N/A
N/A
train
original data
P6_3/mmc
5,054
false
4,046
Hf4 Nb2 As2 N4
data_[Hf4Nb2As2N4] 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 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 [3.3453] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,992
false
1,590
Sc4 Mn2 In2 N4
data_[Sc4Mn2In2N4] 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 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 [3.1301] _cell_length_b [3...
0.26192
N/A
N/A
train
original data
P6_3/mmc
4,042
false
3,229
Sc2 P2 W2 N2
data_[Sc2P2W2N2] 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 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 [3.2045] _cell_length_b [3.2045]...
1
N/A
N/A
train
original data
P6_3mc
4,300
false
3,446
Sc4 Cr2 Ga2 C4
data_[Sc4Cr2Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0908] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,942
false
1,548
Ti2 V4 Si2 N4
data_[Ti2V4Si2N4] 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 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 [2.9250] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
893
false
711
Mn2 Mo2 P2 C2
data_[Mn2Mo2P2C2] 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 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 [3.1178] _cell_length_b [3.117...
0.206757
N/A
N/A
train
original data
P6_3mc
5,205
false
4,168
Hf2 Mn4 Sn2 C4
data_[Hf2Mn4Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1341] _cell_length_b [3...
0.218502
N/A
N/A
train
original data
P6_3/mmc
5,262
false
4,214
Zr4 Nb4 Al2 N6
data_[Zr4Nb4Al2N6] 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 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 [3.1388] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
993
false
796
Mn4 V2 S2 N4
data_[Mn4V2S2N4] 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_3/mmc] _cell_length_a [3.0499] _cell_length_b [3.049...
0.307412
N/A
N/A
train
original data
P6_3/mmc
155
false
122
Sc4 Ti2 As2 N4
data_[Sc4Ti2As2N4] 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 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 [3.1745] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,851
false
3,883
Hf4 Ti4 As2 C6
data_[Hf4Ti4As2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2654] _cell_length_b [3...
0.795739
N/A
N/A
validation
original data
P6_3/mmc
5,607
false
5,532
Hf2 Sc4 Pb2 N4
data_[Hf2Sc4Pb2N4] 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 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 [3.2867] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,933
false
3,141
Ti2 Cr2 C2 S2
data_[Ti2Cr2C2S2] 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 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 [3.1295] _cell_length_b [3.129...
0.768189
N/A
N/A
train
original data
P6_3mc
5,718
false
4,580
Hf8 Al2 N6
data_[Hf8Al2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1927] _cell_length_b [3.1927] _cell_length_c [24.8147] ...
0.254625
N/A
N/A
validation
original data
P6_3/mmc
5,606
false
5,531
Ti2 V4 In2 N4
data_[Ti2V4In2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9604] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,237
false
3,393
Ti2 Mn2 P2 N2
data_[Ti2Mn2P2N2] 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 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1085] _cell_length_b [3.108...
0.299127
N/A
N/A
train
original data
P6_3mc
3,723
false
2,979
Ti4 Mo2 As2 C4
data_[Ti4Mo2As2C4] 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 [3.1889] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,994
false
4,795
Sc4 Ta4 Tl2 C6
data_[Sc4Ta4Tl2C6] 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 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 [3.2480] _cell_length_b [3...
0.793599
N/A
N/A
train
original data
P6_3/mmc
3,199
false
2,557
Hf2 Cr2 As2 C2
data_[Hf2Cr2As2C2] 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 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 [3.2211] _cell_length_b [3.2...
0.768382
N/A
N/A
train
original data
P6_3mc
4,170
false
3,337
Nb2 Mo4 C4 S2
data_[Nb2Mo4C4S2] 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 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 [3.1375] _cell_length_b [3.1...
0.797595
N/A
N/A
train
original data
P6_3/mmc
4,094
false
3,270
Nb2 V4 Pb2 N4
data_[Nb2V4Pb2N4] 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 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 [3.1571] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
2,889
false
5,255
Mn2 Cr2 S2 N2
data_[Mn2Cr2S2N2] 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 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 [3.0239] _cell_length_b [3.023...
0.254219
N/A
N/A
train
original data
P6_3mc
1,829
false
1,458
Zr4 Si2 W4 C6
data_[Zr4Si2W4C6] 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 [3.2264] _cell_length_b [3.2...
0.795476
N/A
N/A
train
original data
P6_3/mmc
1,729
false
1,372
Hf2 Mn4 Al2 N4
data_[Hf2Mn4Al2N4] 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 [3.0011] _cell_length_b [3...
0.236842
N/A
N/A
test
original data
P6_3/mmc
2,553
false
5,842
Hf4 Ti4 Ge2 C6
data_[Hf4Ti4Ge2C6] 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 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 [3.2025] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,676
false
2,137
Zr8 P2 C6
data_[Zr8P2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3980] _cell_length_b [3.3980] _cell_length_c [23.0432] _c...
0.222281
N/A
N/A
train
original data
P6_3/mmc
4,121
false
3,294
Ta4 Mn4 Sn2 C6
data_[Ta4Mn4Sn2C6] 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 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 [3.1054] _cell_length_b [3...
0.19983
N/A
N/A
test
original data
P6_3/mmc
3,528
false
5,935
Sc4 Cd2 Mo2 C4
data_[Sc4Cd2Mo2C4] 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 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 [3.1934] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,972
false
3,978
Zr4 Sn2 W4 N6
data_[Zr4Sn2W4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2798] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,659
false
3,733
Ta4 V2 Pb2 C4
data_[Ta4V2Pb2C4] 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 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 [3.1686] _cell_length_b [3.1...
0.797638
N/A
N/A
train
original data
P6_3/mmc
1,351
false
1,072
Ti2 Nb2 Tl2 C2
data_[Ti2Nb2Tl2C2] 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 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1713] _cell_length_b [3.1...
0.796907
N/A
N/A
train
original data
P6_3mc
167
false
133
Ti4B2C2
data_[Ti8B4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.1688] _cell_length_b [17.5710] _cell_length_c [3.0456] _cell_...
0.492065
N/A
null
train
synthetic, MP or NOMAD
Cmcm
118
true
4,880
Sc4 V4 Ge2 N6
data_[Sc4V4Ge2N6] 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 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 [3.0405] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,108
false
1,683
Zr2 Tl2 Cr2 C2
data_[Zr2Tl2Cr2C2] 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 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2438] _cell_length_b [3.2...
0.760516
N/A
N/A
train
original data
P6_3mc
2,193
false
1,748
Hf2 V2 Cd2 C2
data_[Hf2V2Cd2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1596] _cell_length_b [3.159...
0.798068
N/A
N/A
train
original data
P6_3mc
4,189
false
3,352
Ta2 Mo4 Pb2 C4
data_[Ta2Mo4Pb2C4] 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 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 [3.1697] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,530
false
4,432
Mn4 Nb2 Si2 C4
data_[Mn4Nb2Si2C4] 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 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 [3.0488] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,379
false
3,508
Hf4 V4 S2 N6
data_[Hf4V4S2N6] 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 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 [3.174...
1
N/A
N/A
train
original data
P6_3/mmc
1,065
false
846
Ti2 Cr4 As2 C4
data_[Ti2Cr4As2C4] 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 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 [3.0430] _cell_length_b [3...
0.762984
N/A
N/A
validation
original data
P6_3/mmc
4,553
false
5,427
Zr2 Ti4 Si2 C4
data_[Zr2Ti4Si2C4] 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 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 [3.1785] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,288
false
1,822
Al2 V2 W2 N2
data_[Al2V2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 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 [2.8495] _cell_length_b [2.8495]...
1
N/A
N/A
train
original data
P6_3mc
4,795
false
3,840
Sc2 Nb4 As2 N4
data_[Sc2Nb4As2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1700] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
4,048
false
5,384
Ti2 Ge2 W2 C2
data_[Ti2Ge2W2C2] 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 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 [3.1357] _cell_length_b [3.135...
0.795694
N/A
N/A
train
original data
P6_3mc
224
false
180
Hf2 Nb4 As2 N4
data_[Hf2Nb4As2N4] 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 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 [3.2020] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,365
false
1,083
Sc4 Ti2 Sn2 C4
data_[Sc4Ti2Sn2C4] 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 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 [3.2414] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,100
false
4,085
Tl2 V2 W2 C2
data_[Tl2V2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 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 [3.1295] _cell_length_b [3.1295]...
0.798068
N/A
N/A
train
original data
P6_3mc
5,701
false
4,568
Nb2 Ge2 W2 C2
data_[Nb2Ge2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [3.2122] _cell_length_b [3.212...
0.794417
N/A
N/A
train
original data
P6_3mc
4,070
false
3,248