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 Zr2 S2 N2
data_[Hf2Zr2S2N2] 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 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 [3.3661] _cell_length_b [3.366...
1
N/A
N/A
train
original data
P6_3mc
3,826
false
3,060
Ti4 Mn2 Ge2 N4
data_[Ti4Mn2Ge2N4] 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 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 [3.0527] _cell_length_b [3...
0.243357
N/A
N/A
train
original data
P6_3/mmc
5,360
false
4,290
Hf2 Cr2 Cd2 C2
data_[Hf2Cr2Cd2C2] 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 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 [3.1251] _cell_length_b [3.1...
0.755117
N/A
N/A
train
original data
P6_3mc
2,275
false
1,810
Ta2 Nb4 Si2 C4
data_[Ta2Nb4Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1527] _cell_length_b [3...
0.795857
N/A
N/A
test
original data
P6_3/mmc
2,022
false
5,793
Ta4 Cr2 S2 N4
data_[Ta4Cr2S2N4] 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 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 [3.0148] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,977
false
3,983
Ta4 Cd2 C2
data_[Ta4Cd2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1434] _cell_length_b [3.1434] _cell_length_c [14.6629] ...
0.204319
N/A
N/A
train
original data
P6_3/mmc
4,275
false
3,424
Hf4 Ta4 P2 C6
data_[Hf4Ta4P2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2714] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,758
false
3,812
Ti4 Ga2 Mo4 C6
data_[Ti4Ga2Mo4C6] 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 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 [3.0700] _cell_length_b [3...
0.792398
N/A
N/A
test
original data
P6_3/mmc
358
false
5,625
Ta2 Cr4 Cd2 C4
data_[Ta2Cr4Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0718] _cell_length_b [3...
0.764479
N/A
N/A
validation
original data
P6_3/mmc
2,500
false
5,219
Ga2 W8 C6
data_[Ga2W8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1292] _cell_length_b [3.1292] _cell_length_c [22.9838] _c...
0.209537
N/A
N/A
validation
original data
P6_3/mmc
3,583
false
5,334
Sc4 Tl2 W2 C4
data_[Sc4Tl2W2C4] 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 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 [3.2241] _cell_length_b [3.2...
0.792398
N/A
N/A
test
original data
P6_3/mmc
3,402
false
5,920
Sc2 Ga2 Mo4 C4
data_[Sc2Ga2Mo4C4] 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 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 [3.0749] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,605
false
4,491
Ti4 Nb2 Pb2 C4
data_[Ti4Nb2Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2128] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
4,971
false
5,476
Sc2 Tl2 V2 N2
data_[Sc2Tl2V2N2] 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_3mc] _cell_length_a [3.1654] _cell_length_b [3.165...
1
N/A
N/A
train
original data
P6_3mc
181
false
146
Ga2 Mo8 C6
data_[Ga2Mo8C6] 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 [3.1251] _cell_length_b [3.1251] _cell_length_c [23.0322] ...
0.218063
N/A
N/A
train
original data
P6_3/mmc
3,937
false
3,145
Sn8B2Rh12
data_[Sn8B2Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 B 2.0400 0.8500 0.4100 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [5.6195] _cell_length_b [5.6195] _cell_length_c [13.7648] _ce...
0.7015
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
204
true
4,922
Zr2 Si2 W2 N2
data_[Zr2Si2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2362] _cell_length_b [3.236...
1
N/A
N/A
train
original data
P6_3mc
5,632
false
4,510
Hf2 Mn4 Ge2 N4
data_[Hf2Mn4Ge2N4] 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 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 [3.0451] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,702
false
2,965
Mn4 V2 Ga2 C4
data_[Mn4V2Ga2C4] 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 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9164] _cell_length_b [2.9...
0.211351
N/A
N/A
train
original data
P6_3/mmc
5,900
false
4,721
Hf4 Zr4 Al2 N6
data_[Hf4Zr4Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2198] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
42
false
35
Hf4 Ti4 P2 C6
data_[Hf4Ti4P2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2526] _cell_length_b [3.2...
0.794511
N/A
N/A
train
original data
P6_3/mmc
1,070
false
851
Sc2 V4 Cd2 N4
data_[Sc2V4Cd2N4] 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 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 [3.0032] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,841
false
2,270
Sc2 Mn4 Tl2 N4
data_[Sc2Mn4Tl2N4] 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 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 [3.0508] _cell_length_b [3...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,347
false
4,280
Zr2 Ti2 As2 C2
data_[Zr2Ti2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3334] _cell_length_b [3.3...
0.784895
N/A
N/A
train
original data
P6_3mc
4,637
false
3,717
Ti2 Si2 Mo4 N4
data_[Ti2Si2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0259] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,853
false
3,885
Sc4 Ta4 Sn2 C6
data_[Sc4Ta4Sn2C6] 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 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 [3.2500] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,242
false
4,200
Ti4 Mn2 Al2 C4
data_[Ti4Mn2Al2C4] 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 [3.0277] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,005
false
4,004
Ti2C
data_[Ti6C3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.0853] _cell_length_b [3.0853] _cell_length_c [14.4424] _cell_angle_alpha [90.0000] _cell_an...
0.599655
N/A
null
train
synthetic, MP or NOMAD
R-3m
54
false
4,833
Ge2 Mo6 N4
data_[Ge2Mo6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.8747] _cell_length_b [2.8747] _cell_length_c [20.0390] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,221
false
4,181
AlB2Cr2
data_[Al2Cr4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.9084] _cell_length_b [10.9854] _cell_length_c [2.9093] _cel...
0.645309
N/A
null
train
synthetic, MP or NOMAD
Cmmm
167
true
4,908
V4 Ge2 N2
data_[V4Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9889] _cell_length_b [2.9889] _cell_length_c [12.1651] _c...
0.300128
N/A
N/A
train
original data
P6_3/mmc
2,147
false
1,711
Zr2 Mo4 Pb2 N4
data_[Zr2Mo4Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2001] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,536
false
4,438
Hf4 Nb4 Ga2 N6
data_[Hf4Nb4Ga2N6] 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 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 [3.1829] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,232
false
974
Sc2 Mn4 As2 C4
data_[Sc2Mn4As2C4] 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 [3.0972] _cell_length_b [3...
0.203636
N/A
N/A
train
original data
P6_3/mmc
3,662
false
2,931
Sc4 In2 W4 N6
data_[Sc4In2W4N6] 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 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 [3.0632] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,339
false
1,865
Ti8 Ga2 C6
data_[Ti8Ga2C6] 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 [3.0867] _cell_length_b [3.0867] _cell_length_c [23.2895] ...
0.213668
N/A
N/A
train
original data
P6_3/mmc
4,981
false
3,986
Zr2 V4 Cd2 N4
data_[Zr2V4Cd2N4] 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 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 [3.0324] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,597
false
2,877
Ta8 Cd2 C6
data_[Ta8Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1419] _cell_length_b [3.1419] _cell_length_c [25.1391] ...
0.20752
N/A
N/A
test
original data
P6_3/mmc
5,588
false
6,134
Ta2 Ga2 W4 C4
data_[Ta2Ga2W4C4] 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 [3.0771] _cell_length_b [3.0...
0.795867
N/A
N/A
train
original data
P6_3/mmc
1,509
false
1,198
Mn4 Cr2 Ga2 N4
data_[Mn4Cr2Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9284] _cell_length_b [2...
0.278208
N/A
N/A
train
original data
P6_3/mmc
2,575
false
2,052
Hf2 Zr2 Ge2 C2
data_[Hf2Zr2Ge2C2] 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 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 [3.3139] _cell_length_b [3.3...
0.794637
N/A
N/A
train
original data
P6_3mc
924
false
736
Zr4 V4 Ga2 N6
data_[Zr4V4Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0909] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
218
false
175
Ti2 V2 Ga2 C2
data_[Ti2V2Ga2C2] 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_3mc] _cell_length_a [2.9872] _cell_length_b [2.987...
0.792398
N/A
N/A
test
original data
P6_3mc
1,015
false
5,695
Ti8 As2 N6
data_[Ti8As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0713] _cell_length_b [3.0713] _cell_length_c [21.8442] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
3,112
false
2,488
Cr6Ge2C2
data_[Cr12Ge4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.8679] _cell_length_b [10.2915] _cell_length_c [7.6483] _ce...
0.066216
N/A
null
train
synthetic, MP or NOMAD
Cmcm
109
false
4,873
Sc2 Mn4 Ge2 N4
data_[Sc2Mn4Ge2N4] 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_3/mmc] _cell_length_a [2.9930] _cell_length_b [2...
0.258599
N/A
N/A
train
original data
P6_3/mmc
1,265
false
1,002
Hf4 Nb4 Sn2 N6
data_[Hf4Nb4Sn2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2186] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,471
false
5,833
Zr2 Mn4 As2 N4
data_[Zr2Mn4As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2183] _cell_length_b [3...
0.288077
N/A
N/A
train
original data
P6_3/mmc
51
false
42
Ga2 Mo6 N4
data_[Ga2Mo6N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8361] _cell_length_b [2.8361] _cell_length_c [20.5077] ...
0.249398
N/A
N/A
train
original data
P6_3/mmc
4,707
false
3,771
Zr8 Si2 C6
data_[Zr8Si2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3437] _cell_length_b [3.3437] _cell_length_c [24.2661] ...
0.224516
N/A
N/A
train
original data
P6_3/mmc
2,759
false
2,206
Mn4 Cr4 As2 N6
data_[Mn4Cr4As2N6] 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 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 [2.9508] _cell_length_b [2...
0.286961
N/A
N/A
train
original data
P6_3/mmc
2,178
false
1,736
Ta2 Pb2 W4 C4
data_[Ta2Pb2W4C4] 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 [3.1599] _cell_length_b [3.1...
0.79491
N/A
N/A
train
original data
P6_3/mmc
3,030
false
2,419
Hf4 Cr4 Cd2 C6
data_[Hf4Cr4Cd2C6] 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 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 [3.0872] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
97
false
79
Cr4 Sn2 Mo4 C6
data_[Cr4Sn2Mo4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0829] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,575
false
1,249
Hf4 Mn4 Si2 N6
data_[Hf4Mn4Si2N6] 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 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 [3.1932] _cell_length_b [3...
0.257823
N/A
N/A
train
original data
P6_3/mmc
4,411
false
3,534
Nb2 Cr4 Pb2 C4
data_[Nb2Cr4Pb2C4] 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 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 [3.1610] _cell_length_b [3...
0.756861
N/A
N/A
train
original data
P6_3/mmc
3,770
false
3,018
V6 Cd2 C4
data_[V6Cd2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9817] _cell_length_b [2.9817] _cell_length_c [18.5859] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
823
false
650
Ti4 Mn2 S2 N4
data_[Ti4Mn2S2N4] 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 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 [3.1117] _cell_length_b [3.1...
0.280426
N/A
N/A
train
original data
P6_3/mmc
5,396
false
4,321
Nb2 Si2 Mo2 N2
data_[Nb2Si2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0738] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
4,956
false
3,965
Zr2 Sc4 S2 N4
data_[Zr2Sc4S2N4] 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 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 [3.3189] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3/mmc
3,537
false
2,828
V4 Pb2 C2
data_[V4Pb2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1906] _cell_length_b [3.1906] _cell_length_c [13.1298] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,829
false
2,260
Ti2 Pb2 W4 N4
data_[Ti2Pb2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0765] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,573
false
4,464
Sc4 Nb4 Pb2 C6
data_[Sc4Nb4Pb2C6] 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 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 [3.2787] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,214
false
2,569
Nb2 Cr2 Sn2 N2
data_[Nb2Cr2Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1584] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
457
false
363
Ta2 Cr4 S2 N4
data_[Ta2Cr4S2N4] 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 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 [3.1576] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3/mmc
5,975
false
6,177
Hf2 Nb4 Pb2 C4
data_[Hf2Nb4Pb2C4] 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 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 [3.2566] _cell_length_b [3...
0.798068
N/A
N/A
test
original data
P6_3/mmc
2,738
false
5,858
Hf4 Ge2 Mo4 C6
data_[Hf4Ge2Mo4C6] 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 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 [3.1963] _cell_length_b [3...
0.797154
N/A
N/A
train
original data
P6_3/mmc
1,059
false
842
Hf2 V2 Ge2 C2
data_[Hf2V2Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1573] _cell_length_b [3.157...
0.795946
N/A
N/A
validation
original data
P6_3mc
3,299
false
5,297
Mo6 As2 N4
data_[Mo6As2N4] 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 [2.9439] _cell_length_b [2.9439] _cell_length_c [19.0948] ...
0.307412
N/A
N/A
test
original data
P6_3/mmc
4,932
false
6,065
Nb2 V4 Cd2 C4
data_[Nb2V4Cd2C4] 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 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 [3.0682] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
919
false
733
Zr4 Ti2 As2 C4
data_[Zr4Ti2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3173] _cell_length_b [3...
0.789497
N/A
N/A
train
original data
P6_3/mmc
5,368
false
4,297
Zr2 Nb2 Ge2 C2
data_[Zr2Nb2Ge2C2] 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 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 [3.2472] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
3,991
false
3,187
Sc4 Mn4 As2 N6
data_[Sc4Mn4As2N6] 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 [3.0863] _cell_length_b [3...
0.276903
N/A
N/A
train
original data
P6_3/mmc
3,618
false
2,894
Ta4 V4 Si2 N6
data_[Ta4V4Si2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9797] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,105
false
4,090
Hf4 Mn2 Sn2 N4
data_[Hf4Mn2Sn2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2201] _cell_length_b [3...
0.271505
N/A
N/A
test
original data
P6_3/mmc
2,623
false
5,847
Sc4 Ta2 Cd2 N4
data_[Sc4Ta2Cd2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1942] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
3,439
false
5,924
Hf4 Ta2 Pb2 N4
data_[Hf4Ta2Pb2N4] 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 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 [3.2051] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
394
false
315
Hf2 Ta4 P2 C4
data_[Hf2Ta4P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2608] _cell_length_b [3.2...
0.797175
N/A
N/A
validation
original data
P6_3/mmc
1,480
false
5,116
V4 Cr2 P2 N4
data_[V4Cr2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9312] _cell_length_b [2.931...
1
N/A
N/A
train
original data
P6_3/mmc
5,774
false
4,624
Nb6 P2 C4
data_[Nb6P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2123] _cell_length_b [3.2123] _cell_length_c [17.1155] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,821
false
4,657
Ta2 Nb4 P2 N4
data_[Ta2Nb4P2N4] 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 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 [3.1984] _cell_length_b [3.1...
0.991671
N/A
N/A
train
original data
P6_3/mmc
1,753
false
1,394
Zr2 W2 S2 N2
data_[Zr2W2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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_3mc] _cell_length_a [3.3417] _cell_length_b [3.3417]...
1
N/A
N/A
train
original data
P6_3mc
4,448
false
3,565
Cr4 Mo4 As2 N6
data_[Cr4Mo4As2N6] 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 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 [3.0901] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
81
false
64
Hf2 Mn4 Ga2 N4
data_[Hf2Mn4Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1528] _cell_length_b [3...
0.256299
N/A
N/A
train
original data
P6_3/mmc
4,039
false
3,227
Mn4 Ga2 W2 C4
data_[Mn4Ga2W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0032] _cell_length_b [3.0...
0.201702
N/A
N/A
train
original data
P6_3/mmc
5,366
false
4,295
Ta2 P2 W4 C4
data_[Ta2P2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.1405] _cell_length_b [3.140...
0.794643
N/A
N/A
train
original data
P6_3/mmc
4,414
false
3,537
Hf4 In2 Mo4 C6
data_[Hf4In2Mo4C6] 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 [3.1890] _cell_length_b [3...
0.793729
N/A
N/A
validation
original data
P6_3/mmc
4,811
false
5,461
Mn2 Cr4 Pb2 C4
data_[Mn2Cr4Pb2C4] 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 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 [3.0661] _cell_length_b [3...
0.174564
N/A
N/A
train
original data
P6_3/mmc
787
false
625
Zr4 Pb2 W4 N6
data_[Zr4Pb2W4N6] 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 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 [3.2608] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
64
false
51
Hf4 Sc2 Ga2 N4
data_[Hf4Sc2Ga2N4] 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 [3.2205] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,823
false
4,659
Zr2 V4 Ge2 N4
data_[Zr2V4Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0708] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,790
false
4,636
Ti2 Cr2 Ge2 N2
data_[Ti2Cr2Ge2N2] 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 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 [3.0215] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
750
false
594
Al2 V2 Mo2 C2
data_[Al2V2Mo2C2] 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 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9752] _cell_length_b [2.975...
0.793548
N/A
N/A
train
original data
P6_3mc
1,968
false
1,571
Zr4 Ti4 Al2 N6
data_[Zr4Ti4Al2N6] 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 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 [3.1019] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
551
false
5,020
Ti4 Cd2 W4 N6
data_[Ti4Cd2W4N6] 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 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 [2.9455] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,599
false
3,691
Hf2 In2 W2 N2
data_[Hf2In2W2N2] 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 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 [3.2594] _cell_length_b [3.259...
1
N/A
N/A
train
original data
P6_3mc
3,848
false
3,076
Hf4 Tl2 W4 C6
data_[Hf4Tl2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 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 [3.1875] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,617
false
1,285
Hf2 P2 W4 C4
data_[Hf2P2W4C4] 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 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 [3.1710] _cell_length_b [3.171...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,503
false
4,409
Ta4 Mn4 In2 C6
data_[Ta4Mn4In2C6] 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 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 [3.0740] _cell_length_b [3...
0.216829
N/A
N/A
train
original data
P6_3/mmc
429
false
341
Hf4 Ge2 W4 N6
data_[Hf4Ge2W4N6] 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 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 [3.2031] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
3,953
false
3,158