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
Ta2 Nb2 As2 N2
data_[Ta2Nb2As2N2] 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 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3085] _cell_length_b [3.3...
0.997076
N/A
N/A
train
original data
P6_3mc
1,363
false
1,081
Sc8 Sn2 N6
data_[Sc8Sn2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2366] _cell_length_b [3.2366] _cell_length_c [24.8537] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
17
false
13
Zr2 Ta4 P2 N4
data_[Zr2Ta4P2N4] 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 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 [3.2227] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,777
false
2,222
Zr2 Cr4 Si2 C4
data_[Zr2Cr4Si2C4] 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 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 [3.0651] _cell_length_b [3...
0.774854
N/A
N/A
train
original data
P6_3/mmc
2,863
false
2,287
Nb6 Al2 N4
data_[Nb6Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0972] _cell_length_b [3.0972] _cell_length_c [19.0776] ...
0.295341
N/A
N/A
train
original data
P6_3/mmc
2,490
false
1,988
Ti2 V4 Ge2 N4
data_[Ti2V4Ge2N4] 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 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 [2.9495] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
2,015
false
1,610
Ta4 Ti2 Sn2 N4
data_[Ta4Ti2Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0773] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,733
false
1,376
Sc8 Pb2 N6
data_[Sc8Pb2N6] 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 [3.2562] _cell_length_b [3.2562] _cell_length_c [25.0268] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,375
false
1,896
Hf4 V4 Ge2 C6
data_[Hf4V4Ge2C6] 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_3/mmc] _cell_length_a [3.1526] _cell_length_b [3.1...
0.796894
N/A
N/A
train
original data
P6_3/mmc
4,460
false
3,574
Mn6 Ga2 N4
data_[Mn6Ga2N4] 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 [2.7331] _cell_length_b [2.7331] _cell_length_c [17.7907] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
5,719
false
4,581
Mn4 Tl2 W4 C6
data_[Mn4Tl2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 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 [3.0459] _cell_length_b [3.0...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,131
false
3,302
Ti4 Al2 Mo4 N6
data_[Ti4Al2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 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 [2.9575] _cell_length_b [2...
1
N/A
N/A
test
original data
P6_3/mmc
139
false
5,605
Sc2 In2 Mo2 C2
data_[Sc2In2Mo2C2] 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_3mc] _cell_length_a [3.1744] _cell_length_b [3.1...
0.796075
N/A
N/A
train
original data
P6_3mc
4,903
false
3,926
Ta2 Mn4 Sn2 N4
data_[Ta2Mn4Sn2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1638] _cell_length_b [3...
0.247244
N/A
N/A
test
original data
P6_3/mmc
2,451
false
5,831
Sc2 V2 Ga2 C2
data_[Sc2V2Ga2C2] 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 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 [3.0785] _cell_length_b [3.078...
0.792398
N/A
N/A
train
original data
P6_3mc
1,141
false
904
Zr2 Ta2 As2 C2
data_[Zr2Ta2As2C2] 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 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 [3.3774] _cell_length_b [3.3...
0.792398
N/A
N/A
test
original data
P6_3mc
366
false
5,627
Al2 Mo4 W4 C6
data_[Al2Mo4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 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 [3.1166] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,505
false
1,999
Nb2 In2 W2 N2
data_[Nb2In2W2N2] 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 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 [3.0123] _cell_length_b [3.012...
1
N/A
N/A
test
original data
P6_3mc
5,179
false
6,088
Mn2 Nb2 Tl2 N2
data_[Mn2Nb2Tl2N2] 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_3mc] _cell_length_a [3.1293] _cell_length_b [3.1...
0.307412
N/A
N/A
validation
original data
P6_3mc
4,754
false
5,453
Nb4 Al2 Mo2 N4
data_[Nb4Al2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [2.9560] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
879
false
699
Mn2 V2 Cd2 N2
data_[Mn2V2Cd2N2] 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 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 [2.9503] _cell_length_b [2.950...
0.273728
N/A
N/A
train
original data
P6_3mc
3,685
false
2,952
Sc8 Cd2 N6
data_[Sc8Cd2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2032] _cell_length_b [3.2032] _cell_length_c [25.5529] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,448
false
4,363
Hf2 Mn2 As2 C2
data_[Hf2Mn2As2C2] 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 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 [3.3015] _cell_length_b [3.3...
0.203251
N/A
N/A
train
original data
P6_3mc
1,706
false
1,353
Ta4 Cr4 Pb2 N6
data_[Ta4Cr4Pb2N6] 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 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 [3.1507] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,315
false
1,845
Sc2 V2 Ge2 C2
data_[Sc2V2Ge2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1017] _cell_length_b [3.101...
0.794937
N/A
N/A
test
original data
P6_3mc
843
false
5,682
Sc2 V4 In2 N4
data_[Sc2V4In2N4] 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 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 [3.0010] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,998
false
2,391
Ta4 Nb2 Sn2 C4
data_[Ta4Nb2Sn2C4] 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 [3.1886] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
9
false
7
Ti2 Mo4 S2 N4
data_[Ti2Mo4S2N4] 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 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 [3.0453] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,505
false
2,804
Cr4 Ge2 W2 C4
data_[Cr4Ge2W2C4] 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 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 [3.0410] _cell_length_b [3.0...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,829
false
3,062
Ta4 P2 W4 C6
data_[Ta4P2W4C6] 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 [3.1699] _cell_length_b [3.169...
0.792398
N/A
N/A
test
original data
P6_3/mmc
5,748
false
6,149
Ta4 P2 W2 C4
data_[Ta4P2W2C4] 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 [3.1825] _cell_length_b [3.182...
0.796722
N/A
N/A
train
original data
P6_3/mmc
2,583
false
2,058
Sc4 Ti2 Pb2 C4
data_[Sc4Ti2Pb2C4] 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 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 [3.2657] _cell_length_b [3...
0.795441
N/A
N/A
train
original data
P6_3/mmc
4,338
false
3,472
Mn4 Nb2 Ga2 C4
data_[Mn4Nb2Ga2C4] 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 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 [3.0341] _cell_length_b [3...
0.233326
N/A
N/A
validation
original data
P6_3/mmc
3,468
false
5,314
Nb2 Mo2 P2 N2
data_[Nb2Mo2P2N2] 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 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 [3.0911] _cell_length_b [3.091...
1
N/A
N/A
train
original data
P6_3mc
2,548
false
2,031
Sc2 Pb2 W4 N4
data_[Sc2Pb2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0832] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,707
false
4,572
Zr4 W2 C4 S2
data_[Zr4W2C4S2] 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 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 [3.3332] _cell_length_b [3.333...
0.796052
N/A
N/A
train
original data
P6_3/mmc
5,870
false
4,698
Sc2 Mo2 Pb2 C2
data_[Sc2Mo2Pb2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 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 [3.2863] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
5,197
false
4,162
Al2 V4 N2
data_[Al2V4N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8722] _cell_length_b [2.8722] _cell_length_c [13.1066] _c...
0.242483
N/A
N/A
train
original data
P6_3/mmc
2,127
false
1,696
Cr4 Cd2 Mo4 N6
data_[Cr4Cd2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 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 [2.8483] _cell_length_b [2...
1
N/A
N/A
test
original data
P6_3/mmc
5,344
false
6,111
Hf4 Ta4 P2 N6
data_[Hf4Ta4P2N6] 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 [3.2546] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,710
false
2,167
Sc2 Cr4 Cd2 C4
data_[Sc2Cr4Cd2C4] 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 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 [3.0700] _cell_length_b [3...
0.762779
N/A
N/A
validation
original data
P6_3/mmc
2,757
false
5,245
Hf2 Mn4 S2 N4
data_[Hf2Mn4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1992] _cell_length_b [3.1...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
3,955
false
5,373
Ta2 Ge2 W4 C4
data_[Ta2Ge2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1197] _cell_length_b [3.1...
0.796682
N/A
N/A
train
original data
P6_3/mmc
4,597
false
3,689
Ti4 As2 N2
data_[Ti4As2N2] 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 [3.1770] _cell_length_b [3.1770] _cell_length_c [11.7914] ...
0.238315
N/A
N/A
validation
original data
P6_3/mmc
2,088
false
5,174
Sc2 Mn2 C2 S2
data_[Sc2Mn2C2S2] 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 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 [3.2074] _cell_length_b [3.207...
0.210998
N/A
N/A
train
original data
P6_3mc
1,576
false
1,250
Zr2 Mn2 Si2 C2
data_[Zr2Mn2Si2C2] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1264] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3mc
2,214
false
1,762
Ti2 Al2 Cr2 C2
data_[Ti2Al2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9452] _cell_length_b [2.9...
0.76413
N/A
N/A
train
original data
P6_3mc
5,825
false
4,661
Ta4 Mn4 Tl2 N6
data_[Ta4Mn4Tl2N6] 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 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 [3.1471] _cell_length_b [3...
0.278272
N/A
N/A
validation
original data
P6_3/mmc
948
false
5,057
Mn4 Al2 Cr4 C6
data_[Mn4Al2Cr4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 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 [2.8857] _cell_length_b [2...
0.176313
N/A
N/A
train
original data
P6_3/mmc
775
false
614
Nb6 Pb2 N4
data_[Nb6Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1899] _cell_length_b [3.1899] _cell_length_c [19.5675] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
4,668
false
3,739
Hf4 Ta4 Tl2 N6
data_[Hf4Ta4Tl2N6] 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 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 [3.2085] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
204
false
161
Zr4 Ge2 Mo2 N4
data_[Zr4Ge2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3155] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,053
false
2,440
V2 Cr4 Ge2 N4
data_[V2Cr4Ge2N4] 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 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 [2.9546] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
872
false
692
Hf2 Tl2 W2 N2
data_[Hf2Tl2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3143] _cell_length_b [3.314...
1
N/A
N/A
train
original data
P6_3mc
2,293
false
1,827
Zr4 Mn2 Si2 N4
data_[Zr4Mn2Si2N4] 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 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 [3.0722] _cell_length_b [3...
0.280082
N/A
N/A
train
original data
P6_3/mmc
4,994
false
3,997
Nb6 Tl2 C4
data_[Nb6Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1707] _cell_length_b [3.1707] _cell_length_c [20.0362] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,318
false
4,258
Zr4 Sc4 Ga2 N6
data_[Zr4Sc4Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2211] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,298
false
2,640
Zr4 Cd2 Mo2 N4
data_[Zr4Cd2Mo2N4] 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 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
1,128
false
893
Hf4 Sc4 Al2 C6
data_[Hf4Sc4Al2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2799] _cell_length_b [3...
0.79646
N/A
N/A
train
original data
P6_3/mmc
388
false
311
Ta2 Cr4 As2 C4
data_[Ta2Cr4As2C4] 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_3/mmc] _cell_length_a [3.1342] _cell_length_b [3...
0.761019
N/A
N/A
test
original data
P6_3/mmc
4,915
false
6,062
Ta4 Nb4 Sn2 C6
data_[Ta4Nb4Sn2C6] 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 [3.1855] _cell_length_b [3...
0.797027
N/A
N/A
train
original data
P6_3/mmc
343
false
275
V2 Si2 Mo4 C4
data_[V2Si2Mo4C4] 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 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 [3.0235] _cell_length_b [3.0...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
1,447
false
5,111
Hf2 Ti2 Tl2 C2
data_[Hf2Ti2Tl2C2] 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 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 [3.2555] _cell_length_b [3.2...
0.793934
N/A
N/A
test
original data
P6_3mc
1,018
false
5,696
Ta2 Nb4 In2 C4
data_[Ta2Nb4In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1473] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,321
false
4,261
Zr4 Mn2 Ge2 N4
data_[Zr4Mn2Ge2N4] 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 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 [3.0981] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,947
false
3,154
Sc2 Mn2 Cd2 C2
data_[Sc2Mn2Cd2C2] 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 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 [3.1074] _cell_length_b [3.1...
0.235574
N/A
N/A
train
original data
P6_3mc
3,530
false
2,821
Zr4 Mn2 As2 C4
data_[Zr4Mn2As2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2993] _cell_length_b [3...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
2,429
false
5,211
Hf2 Mo4 As2 N4
data_[Hf2Mo4As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 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 [3.1637] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
1,610
false
5,129
Hf2 Tl2 Cr4 C4
data_[Hf2Tl2Cr4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1627] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,951
false
3,960
Nb4 In2 Mo4 N6
data_[Nb4In2Mo4N6] 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 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 [2.9770] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,178
false
931
Ti4 Nb4 In2 C6
data_[Ti4Nb4In2C6] 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 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 [3.1557] _cell_length_b [3...
0.795431
N/A
N/A
validation
original data
P6_3/mmc
1,236
false
5,089
Zr2 V4 Pb2 N4
data_[Zr2V4Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1830] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,867
false
2,291
Zr4 Cd2 C2
data_[Zr4Cd2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3358] _cell_length_b [3.3358] _cell_length_c [15.3519] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,409
false
3,532
Nb2 Cr2 Ga2 C2
data_[Nb2Cr2Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0288] _cell_length_b [3.0...
0.774821
N/A
N/A
validation
original data
P6_3mc
4,983
false
5,477
Cr4 Ge2 N2
data_[Cr4Ge2N2] 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 [2.9343] _cell_length_b [2.9343] _cell_length_c [11.9148] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,098
false
1,676
Hf4 Pb2 C2
data_[Hf4Pb2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3732] _cell_length_b [3.3732] _cell_length_c [14.7138] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,583
false
4,471
Sc2 Ge2 W4 N4
data_[Sc2Ge2W4N4] 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_3/mmc] _cell_length_a [3.0394] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
4,177
false
5,395
Ti2 Mn2 Al2 N2
data_[Ti2Mn2Al2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9643] _cell_length_b [2.9...
0.250517
N/A
N/A
train
original data
P6_3mc
4,489
false
3,598
Ti2 Mn2 Si2 N2
data_[Ti2Mn2Si2N2] 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 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 [2.9946] _cell_length_b [2.9...
0.278686
N/A
N/A
validation
original data
P6_3mc
1,858
false
5,152
Hf4 Cr2 Ga2 C4
data_[Hf4Cr2Ga2C4] 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 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 [3.1762] _cell_length_b [3...
0.755608
N/A
N/A
train
original data
P6_3/mmc
2,058
false
1,644
Sc4 Mn4 Cd2 C6
data_[Sc4Mn4Cd2C6] 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 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 [3.1388] _cell_length_b [3...
0.212438
N/A
N/A
train
original data
P6_3/mmc
2,974
false
2,374
Hf2 Zr2 Pb2 C2
data_[Hf2Zr2Pb2C2] 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 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 [3.3896] _cell_length_b [3.3...
0.796831
N/A
N/A
validation
original data
P6_3mc
2,054
false
5,169
Nb4 Cd2 Mo2 N4
data_[Nb4Cd2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 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 [3.1164] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
882
false
702
Ta2 Ti4 Sn2 C4
data_[Ta2Ti4Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1735] _cell_length_b [3...
0.792398
N/A
N/A
test
original data
P6_3/mmc
2,191
false
5,807
Hf2 Al2 V4 N4
data_[Hf2Al2V4N4] 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 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 [2.9980] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
1,923
false
1,531
Hf2 V4 S2 N4
data_[Hf2V4S2N4] 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 [3.1235] _cell_length_b [3.123...
1
N/A
N/A
train
original data
P6_3/mmc
3,658
false
2,928
Ti4 Si2 Mo4 N6
data_[Ti4Si2Mo4N6] 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 [3.0078] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,093
false
4,079
Zr2 Sn2 Mo4 C4
data_[Zr2Sn2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2039] _cell_length_b [3...
0.797165
N/A
N/A
train
original data
P6_3/mmc
5,562
false
4,458
Ta4 Nb2 Tl2 C4
data_[Ta4Nb2Tl2C4] 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 [3.1555] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,834
false
3,065
Nb2 V2 C2 S2
data_[Nb2V2C2S2] 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 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 [3.2115] _cell_length_b [3.2115]...
0.798068
N/A
N/A
train
original data
P6_3mc
992
false
795
Mn2 Nb2 In2 N2
data_[Mn2Nb2In2N2] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1033] _cell_length_b [3.1...
0.278357
N/A
N/A
train
original data
P6_3mc
550
false
426
Nb2 Cr2 Pb2 C2
data_[Nb2Cr2Pb2C2] 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_3mc] _cell_length_a [3.2125] _cell_length_b [3.2...
0.755117
N/A
N/A
train
original data
P6_3mc
326
false
259
Zr2 Mn4 Pb2 C4
data_[Zr2Mn4Pb2C4] 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 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 [3.1879] _cell_length_b [3...
0.218643
N/A
N/A
train
original data
P6_3/mmc
4,586
false
3,678
Nb2 Tl2 Mo4 C4
data_[Nb2Tl2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 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 [3.1202] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,532
false
2,823
Sc2 Cr2 Si2 N2
data_[Sc2Cr2Si2N2] 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 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 [3.0318] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
1,239
false
979
Sc4 In2 Mo4 N6
data_[Sc4In2Mo4N6] 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 [3.0759] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,684
false
2,144
Nb2 Pb2 W2 N2
data_[Nb2Pb2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3699] _cell_length_b [3.369...
1
N/A
N/A
train
original data
P6_3mc
3,423
false
2,743
Ta2 Cr2 S2 N2
data_[Ta2Cr2S2N2] 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_3mc] _cell_length_a [3.1645] _cell_length_b [3.164...
1
N/A
N/A
train
original data
P6_3mc
4,355
false
3,485
Al2 Cr8 C6
data_[Al2Cr8C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8761] _cell_length_b [2.8761] _cell_length_c [22.0387] ...
0.171236
N/A
N/A
train
original data
P6_3/mmc
5,464
false
4,376
Mn4 V4 Cd2 N6
data_[Mn4V4Cd2N6] 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 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9558] _cell_length_b [2.9...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
1,048
false
5,066