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 Cr4 Ga2 C6
data_[Sc4Cr4Ga2C6] 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 [3.1279] _cell_length_b [3...
0.76369
N/A
N/A
validation
original data
P6_3/mmc
1,120
false
5,073
Sc4 V4 Sn2 N6
data_[Sc4V4Sn2N6] 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 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 [3.0815] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,393
false
2,721
Co4B4W4
data_[Co4B4W4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6984] _cell_length_b [3.2336] _cell_length_c [6.5782] _cell_a...
0.439401
N/A
null
validation
synthetic, MP or NOMAD
Pnma
25
true
5,576
Ti4 Cr4 Si2 C6
data_[Ti4Cr4Si2C6] 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 [2.9549] _cell_length_b [2...
0.763973
N/A
N/A
train
original data
P6_3/mmc
5,256
false
4,210
Hf4 Sc2 Tl2 C4
data_[Hf4Sc2Tl2C4] 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 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 [3.3411] _cell_length_b [3...
0.796772
N/A
N/A
validation
original data
P6_3/mmc
3,541
false
5,326
Mn4 Al2 W4 C6
data_[Mn4Al2W4C6] 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 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 [3.0490] _cell_length_b [3.0...
0.212811
N/A
N/A
train
original data
P6_3/mmc
74
false
58
Sc2 Cr4 Si2 C4
data_[Sc2Cr4Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0047] _cell_length_b [3...
0.759847
N/A
N/A
train
original data
P6_3/mmc
3,700
false
2,963
Nb4 V4 Si2 N6
data_[Nb4V4Si2N6] 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 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 [2.9823] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
1,226
false
970
V2 W4 C4 S2
data_[V2W4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0461] _cell_length_b [3.0461]...
0.798068
N/A
N/A
test
original data
P6_3/mmc
5,074
false
6,079
Ti4 Tl2 Mo2 N4
data_[Ti4Tl2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 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 [3.1679] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,499
false
3,608
Zr4 V4 S2 N6
data_[Zr4V4S2N6] 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 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 [3.1417] _cell_length_b [3.141...
1
N/A
N/A
test
original data
P6_3/mmc
4,858
false
6,058
Ta4 V4 In2 C6
data_[Ta4V4In2C6] 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 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 [3.0501] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
495
false
391
Nb4 In2 N2
data_[Nb4In2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2000] _cell_length_b [3.2000] _cell_length_c [14.2237] ...
0.241893
N/A
N/A
train
original data
P6_3/mmc
5,829
false
4,665
Zr4 Nb2 Sn2 C4
data_[Zr4Nb2Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3083] _cell_length_b [3...
0.796408
N/A
N/A
train
original data
P6_3/mmc
286
false
224
Zr4 Ga2 W2 C4
data_[Zr4Ga2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2436] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,560
false
2,848
Sc4 Si2 N2
data_[Sc4Si2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2042] _cell_length_b [3.2042] _cell_length_c [13.4851] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,043
false
3,230
Ta4 Nb4 Cd2 C6
data_[Ta4Nb4Cd2C6] 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 [3.1498] _cell_length_b [3...
0.798068
N/A
N/A
test
original data
P6_3/mmc
1,756
false
5,771
Sc2 V4 Cd2 C4
data_[Sc2V4Cd2C4] 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 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...
0.794742
N/A
N/A
train
original data
P6_3/mmc
147
false
116
Tl2 V2 Cr4 C4
data_[Tl2V2Cr4C4] 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 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 [2.9909] _cell_length_b [2.9...
0.761132
N/A
N/A
train
original data
P6_3/mmc
2,874
false
2,295
Sr8B4N8Cl4
data_[Sr8B4N8Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.5395] _cell_length_b [4.2034...
0.14145
N/A
null
train
synthetic, MP or NOMAD
Pnma
266
true
4,948
Al2 Cr4 W2 N4
data_[Al2Cr4W2N4] 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 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 [2.7890] _cell_length_b [2.7...
1
N/A
N/A
train
original data
P6_3/mmc
26
false
22
Sc2 Si2 Mo2 C2
data_[Sc2Si2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.1331] _cell_length_b [3.1...
0.794539
N/A
N/A
train
original data
P6_3mc
636
false
500
Ta2 V4 Sn2 N4
data_[Ta2V4Sn2N4] 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 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 [3.1015] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,449
false
2,761
Mn4 Tl2 Cr4 N6
data_[Mn4Tl2Cr4N6] 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 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9791] _cell_length_b [2...
0.257981
N/A
N/A
train
original data
P6_3/mmc
450
false
357
Nb4 Ga2 N2
data_[Nb4Ga2N2] 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 [3.0029] _cell_length_b [3.0029] _cell_length_c [14.3204] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
770
false
610
Hf2 Mn2 C2 S2
data_[Hf2Mn2C2S2] 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 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 [3.2495] _cell_length_b [3.249...
0.203288
N/A
N/A
train
original data
P6_3mc
3,054
false
2,441
Ta2 Nb4 Al2 C4
data_[Ta2Nb4Al2C4] 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 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 [3.1123] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,987
false
1,585
Tl2 Mo8 C6
data_[Tl2Mo8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1680] _cell_length_b [3.1680] _cell_length_c [23.9320] ...
0.215471
N/A
N/A
train
original data
P6_3/mmc
4,898
false
3,922
Ti4 Nb4 Si2 C6
data_[Ti4Nb4Si2C6] 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 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 [3.1121] _cell_length_b [3...
0.79565
N/A
N/A
train
original data
P6_3/mmc
3,679
false
2,946
Mn2 V4 Ga2 N4
data_[Mn2V4Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9056] _cell_length_b [2.9...
0.275633
N/A
N/A
train
original data
P6_3/mmc
1,021
false
815
Sc2 Nb4 Ge2 C4
data_[Sc2Nb4Ge2C4] 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 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 [3.2055] _cell_length_b [3...
0.795071
N/A
N/A
train
original data
P6_3/mmc
3,297
false
2,639
Hf4 Ti2 In2 N4
data_[Hf4Ti2In2N4] 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 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 [3.1702] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,574
false
3,669
Zr4 Mo2 Pb2 N4
data_[Zr4Mo2Pb2N4] 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 [3.4069] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,881
false
4,707
Sc8 S2 N6
data_[Sc8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.2647] _cell_length_b [3.2647] _cell_length_c [22.1206] _c...
0.271657
N/A
N/A
test
original data
P6_3/mmc
1,954
false
5,786
Cd2 Mo2 W4 N4
data_[Cd2Mo2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 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 [2.8436] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
5,779
false
4,628
Sc4 As2 W4 N6
data_[Sc4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1087] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,204
false
1,757
Ti8 Al2 C6
data_[Ti8Al2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0792] _cell_length_b [3.0792] _cell_length_c [23.5989] ...
0.232557
N/A
N/A
train
original data
P6_3/mmc
5,127
false
4,107
Ta2 V4 C4 S2
data_[Ta2V4C4S2] 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 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 [3.1004] _cell_length_b [3.100...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,175
false
928
Mn2 Tl2 V2 N2
data_[Mn2Tl2V2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0470] _cell_length_b [3.047...
0.236842
N/A
N/A
train
original data
P6_3mc
141
false
110
Ta2 Sn2 W4 C4
data_[Ta2Sn2W4C4] 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 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 [3.1461] _cell_length_b [3.1...
0.79267
N/A
N/A
train
original data
P6_3/mmc
2,799
false
2,236
Hf4 Pb2 W4 N6
data_[Hf4Pb2W4N6] 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 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 [3.2414] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,608
false
2,081
Sc4 Al2 Cr4 N6
data_[Sc4Al2Cr4N6] 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 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0375] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,160
false
2,526
Cr2 Ge2 Mo2 N2
data_[Cr2Ge2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0615] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
2,479
false
1,981
Pb2 W6 N4
data_[Pb2W6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9185] _cell_length_b [2.9185] _cell_length_c [21.8346] _c...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,369
false
4,298
Zr8 As2 N6
data_[Zr8As2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3289] _cell_length_b [3.3289] _cell_length_c [23.2171] ...
0.269582
N/A
N/A
validation
original data
P6_3/mmc
62
false
4,964
B4Mo4
data_[B8Mo8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [4.4066] _cell_length_b [4.4075] _cell_length_c [8.7750] _cell_angle_alpha [90.0000] _cell_ang...
0.468236
N/A
null
train
synthetic, MP or NOMAD
I4_1/amd
11
true
4,816
Hf2 Cr4 Sn2 C4
data_[Hf2Cr4Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1571] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,999
false
4,000
Sc2 Pb2 W2 N2
data_[Sc2Pb2W2N2] 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_3mc] _cell_length_a [3.2702] _cell_length_b [3.270...
1
N/A
N/A
train
original data
P6_3mc
1,295
false
1,029
Hf2 Ti2 P2 C2
data_[Hf2Ti2P2C2] 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_3mc] _cell_length_a [3.3177] _cell_length_b [3.317...
0.794601
N/A
N/A
train
original data
P6_3mc
2,534
false
2,019
Ti2 Mn4 Tl2 N4
data_[Ti2Mn4Tl2N4] 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 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 [3.0192] _cell_length_b [3...
0.286256
N/A
N/A
train
original data
P6_3/mmc
5,771
false
4,621
Zr4 Nb4 As2 N6
data_[Zr4Nb4As2N6] 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 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 [3.2607] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
894
false
712
Hf4 Sc2 Al2 N4
data_[Hf4Sc2Al2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2063] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
918
false
732
Mn2 Cr2 Ge2 C2
data_[Mn2Cr2Ge2C2] 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 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 [2.9235] _cell_length_b [2.9...
0.178311
N/A
N/A
train
original data
P6_3mc
2,151
false
1,714
Hf4 Ti4 Ge2 N6
data_[Hf4Ti4Ge2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1450] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
812
false
642
Ta2 In2 W4 C4
data_[Ta2In2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 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 [3.0982] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,491
false
4,398
Hf2 Mo4 Pb2 N4
data_[Hf2Mo4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1853] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,404
false
2,727
Ta4 Mn4 Al2 C6
data_[Ta4Mn4Al2C6] 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 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 [3.0282] _cell_length_b [3...
0.224239
N/A
N/A
train
original data
P6_3/mmc
1,181
false
933
Sc2 V4 As2 C4
data_[Sc2V4As2C4] 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 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 [3.1392] _cell_length_b [3.1...
0.796253
N/A
N/A
train
original data
P6_3/mmc
4,886
false
3,910
Sc2 Nb2 P2 C2
data_[Sc2Nb2P2C2] 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 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 [3.3160] _cell_length_b [3.316...
0.792398
N/A
N/A
train
original data
P6_3mc
1,130
false
895
Ti2 Cr4 Ga2 N4
data_[Ti2Cr4Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9440] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
5,847
false
4,679
Ti4 Cr4 As2 C6
data_[Ti4Cr4As2C6] 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 [3.0338] _cell_length_b [3...
0.766612
N/A
N/A
train
original data
P6_3/mmc
865
false
687
Mn6 Ga2 C4
data_[Mn6Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9291] _cell_length_b [2.9291] _cell_length_c [16.2660] ...
0.000002
N/A
N/A
train
original data
P6_3/mmc
5,315
false
4,256
Al2 Mo4 W2 C4
data_[Al2Mo4W2C4] 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 [3.0681] _cell_length_b [3.0...
0.792406
N/A
N/A
train
original data
P6_3/mmc
5,118
false
4,100
Sc4 Nb2 Si2 C4
data_[Sc4Nb2Si2C4] 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 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 [3.2113] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,180
false
3,343
Zr2 Mn2 As2 C2
data_[Zr2Mn2As2C2] 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_3mc] _cell_length_a [3.3181] _cell_length_b [3.3...
0.236842
N/A
N/A
test
original data
P6_3mc
2,646
false
5,851
Ta2 Ti2 As2 C2
data_[Ta2Ti2As2C2] 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 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 [3.2744] _cell_length_b [3.2...
0.796692
N/A
N/A
train
original data
P6_3mc
2,156
false
1,718
Cr4 As2 W4 C6
data_[Cr4As2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 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 [3.0207] _cell_length_b [3.0...
0.761539
N/A
N/A
validation
original data
P6_3/mmc
4,648
false
5,441
Al2 Mo6 C4
data_[Al2Mo6C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0626] _cell_length_b [3.0626] _cell_length_c [18.5269] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,648
false
4,524
Ti2 Nb4 Cd2 N4
data_[Ti2Nb4Cd2N4] 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 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 [3.0380] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,730
false
3,789
Ti4 Al2 W2 N4
data_[Ti4Al2W2N4] 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 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 [3.0037] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,961
false
3,970
Zr2 Nb4 Sn2 N4
data_[Zr2Nb4Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1853] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,858
false
4,687
Nb8 Ge2 C6
data_[Nb8Ge2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1772] _cell_length_b [3.1772] _cell_length_c [23.5883] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,647
false
4,523
Mn2 Cr2 Sn2 N2
data_[Mn2Cr2Sn2N2] 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 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 [3.0264] _cell_length_b [3.0...
0.267177
N/A
N/A
train
original data
P6_3mc
3,460
false
2,771
Ta2 V2 Sn2 N2
data_[Ta2V2Sn2N2] 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 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 [3.1627] _cell_length_b [3.162...
1
N/A
N/A
test
original data
P6_3mc
1,171
false
5,712
Ti4 In2 Mo2 C4
data_[Ti4In2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 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...
0.798068
N/A
N/A
train
original data
P6_3/mmc
721
false
571
Mo4 W2 S2 N4
data_[Mo4W2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9165] _cell_length_b [2.916...
1
N/A
N/A
train
original data
P6_3/mmc
666
false
528
Sc4 Ga2 Mo4 C6
data_[Sc4Ga2Mo4C6] 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 [3.1497] _cell_length_b [3...
0.793783
N/A
N/A
train
original data
P6_3/mmc
2,179
false
1,737
B4Nb4Ru10Sc2
data_[Sc4Nb8B8Ru20] 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 B 2.0400 0.8500 0.4100 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [13.3987] _cell_length_b [13....
0.462691
N/A
null
train
synthetic, MP or NOMAD
Cmmm
233
true
4,932
Hf4Ni20B8O40
data_[Hf4Ni20B8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.3990] _cell_length_b [6.162...
0.482509
N/A
null
train
synthetic, MP or NOMAD
Pnma
190
true
4,916
Ti8 Si2 N6
data_[Ti8Si2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9972] _cell_length_b [2.9972] _cell_length_c [22.6174] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,893
false
1,505
Ta4 Mo4 Pb2 N6
data_[Ta4Mo4Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2846] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,757
false
3,006
Ta2 Nb4 C4 S2
data_[Ta2Nb4C4S2] 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 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 [3.1835] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,125
false
4,105
Ta4 Ti4 Si2 N6
data_[Ta4Ti4Si2N6] 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 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 [3.0876] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,850
false
2,277
Ta2 Tl2 W4 N4
data_[Ta2Tl2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9415] _cell_length_b [2.9...
0.997076
N/A
N/A
train
original data
P6_3/mmc
5,681
false
4,551
Zr2 Mn4 Cd2 C4
data_[Zr2Mn4Cd2C4] 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 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 [3.0968] _cell_length_b [3...
0.201909
N/A
N/A
train
original data
P6_3/mmc
2,903
false
2,319
Sc4 Nb2 Al2 C4
data_[Sc4Nb2Al2C4] 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 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 [3.2111] _cell_length_b [3...
0.792398
N/A
N/A
test
original data
P6_3/mmc
3,914
false
5,970
Zr4 V2 Ga2 C4
data_[Zr4V2Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2238] _cell_length_b [3.2...
0.794954
N/A
N/A
train
original data
P6_3/mmc
1,670
false
1,326
Zr4 V2 In2 C4
data_[Zr4V2In2C4] 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 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 [3.2546] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,997
false
2,390
Hf2 Ge2 W2 C2
data_[Hf2Ge2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2468] _cell_length_b [3.246...
0.79486
N/A
N/A
train
original data
P6_3mc
3,529
false
2,820
Hf2 Cr4 In2 N4
data_[Hf2Cr4In2N4] 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 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 [3.1125] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,020
false
814
Zr4 Nb2 Al2 N4
data_[Zr4Nb2Al2N4] 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 [3.1863] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,577
false
2,053
Zr4 Cr2 Pb2 C4
data_[Zr4Cr2Pb2C4] 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 [3.2713] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
2,416
false
1,931
Hf2 Mn2 Pb2 N2
data_[Hf2Mn2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2211] _cell_length_b [3.2...
0.236842
N/A
N/A
train
original data
P6_3mc
2,242
false
1,785
Hf2 Tl2 V2 C2
data_[Hf2Tl2V2C2] 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 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2176] _cell_length_b [3.217...
0.795248
N/A
N/A
train
original data
P6_3mc
5,055
false
4,047
Mn4 Cr2 Cd2 C4
data_[Mn4Cr2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9113] _cell_length_b [2...
0.175299
N/A
N/A
train
original data
P6_3/mmc
2,969
false
2,369
Mn8 In2 N6
data_[Mn8In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9656] _cell_length_b [2.9656] _cell_length_c [21.1099] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,259
false
3,412
Al2C4Ti6
data_[Ti6Al2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [3.0824] _cell_length_b [18.4413] _cell_length_c [3.0863] _c...
0.537701
N/A
null
train
synthetic, MP or NOMAD
Cmcm
31
false
4,824
Mn2 Tl2 V4 N4
data_[Mn2Tl2V4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0274] _cell_length_b [3.0...
0.307412
N/A
N/A
test
original data
P6_3/mmc
3,141
false
5,905
Ti4 Tl2 Cr2 N4
data_[Ti4Tl2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 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...
1
N/A
N/A
train
original data
P6_3/mmc
4,735
false
3,793
Zr6 Si2 N4
data_[Zr6Si2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2303] _cell_length_b [3.2303] _cell_length_c [19.0499] ...
0.303609
N/A
N/A
train
original data
P6_3/mmc
3,198
false
2,556