Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
stringlengths
4
14
CIF
stringlengths
825
3.16k
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float64
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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
Ti2 Cr2 S2 N2
data_[Ti2Cr2S2N2] 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 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 [3.1179] _cell_length_b [3.117...
1
N/A
N/A
validation
original data
P6_3mc
1,083
false
5,069
Sc2 Ti4 In2 C4
data_[Sc2Ti4In2C4] 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 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 [3.1957] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,928
false
3,945
Zr8 Al2 C6
data_[Zr8Al2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3414] _cell_length_b [3.3414] _cell_length_c [25.3156] ...
0.22271
N/A
N/A
train
original data
P6_3/mmc
3,761
false
3,009
Sc2 Mn4 Sn2 C4
data_[Sc2Mn4Sn2C4] 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 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 [3.0982] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,431
false
3,553
Mn4 Al2 Mo2 N4
data_[Mn4Al2Mo2N4] 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 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 [2.8249] _cell_length_b [2...
0.307412
N/A
N/A
train
original data
P6_3/mmc
3,136
false
2,506
Ti2 Nb4 Al2 N4
data_[Ti2Nb4Al2N4] 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 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 [3.0152] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,935
false
3,950
Ge2 Mo8 N6
data_[Ge2Mo8N6] 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 [2.8617] _cell_length_b [2.8617] _cell_length_c [25.9029] ...
0.278838
N/A
N/A
train
original data
P6_3/mmc
4,226
false
3,383
Sc2 Nb4 Ga2 C4
data_[Sc2Nb4Ga2C4] 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 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 [3.1907] _cell_length_b [3...
0.795373
N/A
N/A
test
original data
P6_3/mmc
3,924
false
5,972
Zr4 Ta2 P2 C4
data_[Zr4Ta2P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3506] _cell_length_b [3.3...
0.794435
N/A
N/A
train
original data
P6_3/mmc
2,520
false
2,009
Sc4 V2 C4 S2
data_[Sc4V2C4S2] 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 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 [3.2221] _cell_length_b [3.222...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,943
false
1,549
Ti4 Mo4 S2 N6
data_[Ti4Mo4S2N6] 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 [3.0140] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
903
false
720
Ti4 Cr4 Si2 N6
data_[Ti4Cr4Si2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9608] _cell_length_b [2...
1
N/A
N/A
test
original data
P6_3/mmc
705
false
5,666
Hf4 Mn2 Sn2 C4
data_[Hf4Mn2Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2511] _cell_length_b [3...
0.232408
N/A
N/A
test
original data
P6_3/mmc
1,544
false
5,749
Tl2 V4 W4 C6
data_[Tl2V4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0283] _cell_length_b [3.028...
0.795217
N/A
N/A
validation
original data
P6_3/mmc
4,948
false
5,474
Ti4 Nb4 Ga2 C6
data_[Ti4Nb4Ga2C6] 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 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 [3.1277] _cell_length_b [3...
0.792478
N/A
N/A
train
original data
P6_3/mmc
3,993
false
3,189
Hf4 Ta4 Pb2 N6
data_[Hf4Ta4Pb2N6] 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 [3.2213] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,805
false
3,848
Hf4 Ta4 Tl2 C6
data_[Hf4Ta4Tl2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2380] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
437
false
5,006
V2 Si2 W2 C2
data_[V2Si2W2C2] 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 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 [3.0568] _cell_length_b [3.0568]...
0.795322
N/A
N/A
train
original data
P6_3mc
269
false
212
Sc4 Cr4 Pb2 C6
data_[Sc4Cr4Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1616] _cell_length_b [3...
0.755117
N/A
N/A
test
original data
P6_3/mmc
1,185
false
5,715
Zr2 Nb2 Ge2 N2
data_[Zr2Nb2Ge2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2881] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
3,237
false
5,911
Cr4B4Pb4O16
data_[Cr4B4Pb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 B 2.0400 0.8500 0.4100 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.0774] _cell_length_b [6.0359...
0.073025
N/A
null
validation
synthetic, MP or NOMAD
Pnma
171
true
5,589
Ta4 Sn2 Mo2 C4
data_[Ta4Sn2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1876] _cell_length_b [3...
0.796674
N/A
N/A
train
original data
P6_3/mmc
3,620
false
2,896
Cr2 Sn2 Mo4 N4
data_[Cr2Sn2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0805] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
5,358
false
5,508
Nb4 Cr4 As2 N6
data_[Nb4Cr4As2N6] 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 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 [3.0214] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,141
false
1,706
Hf2 In2 W4 C4
data_[Hf2In2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1083] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,365
false
3,495
Ta2 Cr4 Ge2 N4
data_[Ta2Cr4Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0264] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,693
false
4,561
Hf4 Ta2 Cd2 N4
data_[Hf4Ta2Cd2N4] 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 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 [3.1891] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,712
false
2,169
Zr2 Ge2 Mo2 C2
data_[Zr2Ge2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2523] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
722
false
572
Hf4 Cr2 Cd2 C4
data_[Hf4Cr2Cd2C4] 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 [3.1924] _cell_length_b [3...
0.755117
N/A
N/A
test
original data
P6_3/mmc
4,990
false
6,071
Al2 V4 Mo2 C4
data_[Al2V4Mo2C4] 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_3/mmc] _cell_length_a [2.9790] _cell_length_b [2.9...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,098
false
873
Cr4 Mo2 Pb2 C4
data_[Cr4Mo2Pb2C4] 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 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 [3.1463] _cell_length_b [3...
0.761282
N/A
N/A
train
original data
P6_3/mmc
3,418
false
2,738
Ta4 In2 N2
data_[Ta4In2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0269] _cell_length_b [3.0269] _cell_length_c [15.2681] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
3,607
false
2,886
Ti2 Mn4 In2 N4
data_[Ti2Mn4In2N4] 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 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 [2.9870] _cell_length_b [2...
0.272976
N/A
N/A
train
original data
P6_3/mmc
5,696
false
4,564
Ti2AlC
data_[Ti6Al3C3] 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 [R-3m] _cell_length_a [3.0412] _cell_length_b [3.0412] _cell_length_c [20.5122] _cel...
0.575921
N/A
null
train
synthetic, MP or NOMAD
R-3m
125
false
4,884
Zr2 Mn2 Si2 N2
data_[Zr2Mn2Si2N2] 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_3mc] _cell_length_a [3.0562] _cell_length_b [3.0...
0.242361
N/A
N/A
train
original data
P6_3mc
3,812
false
3,049
Sc4 Ti4 As2 N6
data_[Sc4Ti4As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1204] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,588
false
1,261
Hf4 V2 Ge2 C4
data_[Hf4V2Ge2C4] 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 [3.2028] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,566
false
3,662
Hf2 Ta4 In2 N4
data_[Hf2Ta4In2N4] 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 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 [3.1170] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,858
false
3,085
Zr2 V4 C4 S2
data_[Zr2V4C4S2] 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 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 [3.1775] _cell_length_b [3.177...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,388
false
3,515
Sc4 Cr4 S2 N6
data_[Sc4Cr4S2N6] 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 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 [3.1449] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,755
false
3,004
Hf2 Cr2 In2 N2
data_[Hf2Cr2In2N2] 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_3mc] _cell_length_a [3.1628] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
1,418
false
1,125
Mn4 V4 Sn2 C6
data_[Mn4V4Sn2C6] 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 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 [2.9888] _cell_length_b [2.9...
0.236842
N/A
N/A
train
original data
P6_3/mmc
842
false
667
Zr2 Cr2 Pb2 N2
data_[Zr2Cr2Pb2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2538] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
3,293
false
2,636
Nb6Al2C2
data_[Nb12Al4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2580] _cell_length_b [10.9388] _cell_length_c [8.5686] _ce...
0.05329
N/A
null
train
synthetic, MP or NOMAD
Cmcm
65
false
4,841
Hf2 Cr4 Cd2 N4
data_[Hf2Cr4Cd2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0941] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,549
false
4,448
Ti6 In2 C4
data_[Ti6In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1264] _cell_length_b [3.1264] _cell_length_c [19.1763] ...
0.199932
N/A
N/A
validation
original data
P6_3/mmc
2,017
false
5,166
Mn4 Cr4 Ge2 C6
data_[Mn4Cr4Ge2C6] 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_3/mmc] _cell_length_a [2.9316] _cell_length_b [2...
0.176182
N/A
N/A
train
original data
P6_3/mmc
175
false
141
Hf4 Nb2 Sn2 C4
data_[Hf4Nb2Sn2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2915] _cell_length_b [3...
0.797889
N/A
N/A
train
original data
P6_3/mmc
3,654
false
2,924
Mn8 Cd2 C6
data_[Mn8Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9076] _cell_length_b [2.9076] _cell_length_c [22.7253] ...
0.000001
N/A
N/A
test
original data
P6_3/mmc
953
false
5,689
Al2 V2 W4 N4
data_[Al2V2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8613] _cell_length_b [2.861...
1
N/A
N/A
train
original data
P6_3/mmc
3,792
false
3,033
Sn2 Mo8 C6
data_[Sn2Mo8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1695] _cell_length_b [3.1695] _cell_length_c [23.5514] ...
0.207965
N/A
N/A
validation
original data
P6_3/mmc
4,517
false
5,422
Zr2 Nb2 Sn2 N2
data_[Zr2Nb2Sn2N2] 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_3mc] _cell_length_a [3.3199] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
1,745
false
1,386
Hf4 Al2 N2
data_[Hf4Al2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1910] _cell_length_b [3.1910] _cell_length_c [14.2903] ...
0.25319
N/A
N/A
train
original data
P6_3/mmc
578
false
448
Mn4 Cr4 Sn2 N6
data_[Mn4Cr4Sn2N6] 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_3/mmc] _cell_length_a [2.9876] _cell_length_b [2...
0.273393
N/A
N/A
validation
original data
P6_3/mmc
2,983
false
5,265
Zr4 Ti4 Cd2 C6
data_[Zr4Ti4Cd2C6] 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 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 [3.2461] _cell_length_b [3...
0.791187
N/A
N/A
train
original data
P6_3/mmc
1,990
false
1,588
Nb2 Cd2 Mo4 C4
data_[Nb2Cd2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0783] _cell_length_b [3...
0.796925
N/A
N/A
train
original data
P6_3/mmc
4,479
false
3,588
Hf2 Mo2 As2 C2
data_[Hf2Mo2As2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3264] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3mc
3,307
false
2,647
Ta2 Mn4 Ge2 C4
data_[Ta2Mn4Ge2C4] 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 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 [3.0591] _cell_length_b [3...
0.221107
N/A
N/A
train
original data
P6_3/mmc
2,032
false
1,623
Nb4Ni8B4O24
data_[Nb4Ni8B4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [10.2170] _cell_length_b [8.732...
0.520968
N/A
null
train
synthetic, MP or NOMAD
Pnma
251
true
4,939
Zr4 Ta4 Ge2 C6
data_[Zr4Ta4Ge2C6] 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 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 [3.2552] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,193
false
943
Zr4 Mn4 In2 C6
data_[Zr4Mn4In2C6] 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 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 [3.1845] _cell_length_b [3...
0.232925
N/A
N/A
train
original data
P6_3/mmc
3,599
false
2,879
Ta8 As2 C6
data_[Ta8As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2166] _cell_length_b [3.2166] _cell_length_c [22.6374] ...
0.19983
N/A
N/A
test
original data
P6_3/mmc
5,264
false
6,099
Mn4 S2 N2
data_[Mn4S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0127] _cell_length_b [3.0127] _cell_length_c [10.4382] _c...
0.000002
N/A
N/A
validation
original data
P6_3/mmc
5,969
false
5,568
Ti4 V2 Cd2 N4
data_[Ti4V2Cd2N4] 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 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 [3.0444] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
334
false
267
Zr2 Nb2 P2 N2
data_[Zr2Nb2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3487] _cell_length_b [3.348...
1
N/A
N/A
train
original data
P6_3mc
2,937
false
2,346
Hf2 Ta4 Pb2 C4
data_[Hf2Ta4Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2502] _cell_length_b [3...
0.797084
N/A
N/A
train
original data
P6_3/mmc
1,341
false
1,065
Ti2 Nb2 Pb2 N2
data_[Ti2Nb2Pb2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2842] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
880
false
700
Ta4 Nb4 C6 S2
data_[Ta4Nb4C6S2] 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 [3.1974] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,269
false
2,620
Zr4 V4 As2 N6
data_[Zr4V4As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1497] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,214
false
4,174
Sc4 Ta2 Si2 C4
data_[Sc4Ta2Si2C4] 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 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 [3.2082] _cell_length_b [3...
0.792708
N/A
N/A
train
original data
P6_3/mmc
2,810
false
2,243
Nb2 V2 Sn2 C2
data_[Nb2V2Sn2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1824] _cell_length_b [3.182...
0.792398
N/A
N/A
train
original data
P6_3mc
4,182
false
3,345
Zr2 Cd2 Mo2 N2
data_[Zr2Cd2Mo2N2] 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_3mc] _cell_length_a [3.2257] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3mc
383
false
4,999
Mn4 V4 P2 C6
data_[Mn4V4P2C6] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9371] _cell_length_b [2.937...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,651
false
2,116
Hf2 Si2 W2 C2
data_[Hf2Si2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2254] _cell_length_b [3.225...
0.795497
N/A
N/A
train
original data
P6_3mc
2,378
false
1,899
Zr4 Ti4 Pb2 C6
data_[Zr4Ti4Pb2C6] 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 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 [3.2876] _cell_length_b [3...
0.789831
N/A
N/A
validation
original data
P6_3/mmc
5,129
false
5,489
Ti2 Tl2 Mo2 C2
data_[Ti2Tl2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1546] _cell_length_b [3.1...
0.796791
N/A
N/A
validation
original data
P6_3mc
3,514
false
5,325
Sc4 Ga2 Mo2 N4
data_[Sc4Ga2Mo2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1567] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,194
false
1,749
Tl2 Cr2 Mo2 C2
data_[Tl2Cr2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 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 [3.0949] _cell_length_b [3.0...
0.755117
N/A
N/A
train
original data
P6_3mc
1,159
false
916
Mo4 W4 S2 N6
data_[Mo4W4S2N6] 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 [2.8774] _cell_length_b [2.877...
1
N/A
N/A
train
original data
P6_3/mmc
2,125
false
1,694
Ta4 Cr2 Ge2 N4
data_[Ta4Cr2Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9746] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
5,927
false
4,745
Ta2 Nb2 In2 N2
data_[Ta2Nb2In2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0484] _cell_length_b [3.0...
0.991433
N/A
N/A
train
original data
P6_3mc
5,513
false
4,417
Hf2 Nb4 Sn2 C4
data_[Hf2Nb4Sn2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2239] _cell_length_b [3...
0.79714
N/A
N/A
train
original data
P6_3/mmc
4,884
false
3,909
V4 Cr2 Ga2 C4
data_[V4Cr2Ga2C4] 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 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 [2.9142] _cell_length_b [2.9...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,979
false
3,985
Ta4 Sn2 W2 N4
data_[Ta4Sn2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0380] _cell_length_b [3.0...
0.997076
N/A
N/A
train
original data
P6_3/mmc
4,595
false
3,687
Sc2 Ti2 In2 N2
data_[Sc2Ti2In2N2] 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 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 [3.1797] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
4,363
false
3,493
Sc6 Tl2 N4
data_[Sc6Tl2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2478] _cell_length_b [3.2478] _cell_length_c [20.0769] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
30
false
26
Zr4 Al2 Cr4 C6
data_[Zr4Al2Cr4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 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 [3.0795] _cell_length_b [3...
0.765344
N/A
N/A
train
original data
P6_3/mmc
3,923
false
3,133
Sc2 Mo2 P2 C2
data_[Sc2Mo2P2C2] 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 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 [3.2289] _cell_length_b [3.228...
0.792398
N/A
N/A
train
original data
P6_3mc
5,525
false
4,427
Hf4 Ti4 Pb2 C6
data_[Hf4Ti4Pb2C6] 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 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 [3.2453] _cell_length_b [3...
0.795358
N/A
N/A
train
original data
P6_3/mmc
4,206
false
3,366
Ti2 Nb4 P2 C4
data_[Ti2Nb4P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2101] _cell_length_b [3.2...
0.794041
N/A
N/A
train
original data
P6_3/mmc
5,804
false
4,645
Sc2 Cr2 Ga2 C2
data_[Sc2Cr2Ga2C2] 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_3mc] _cell_length_a [3.0634] _cell_length_b [3.0...
0.76706
N/A
N/A
train
original data
P6_3mc
3,481
false
2,788
Hf2 Zr4 Al2 C4
data_[Hf2Zr4Al2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3180] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,258
false
995
Hf4 Si2 W2 N4
data_[Hf4Si2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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_3/mmc] _cell_length_a [3.1635] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,575
false
2,858
Sc4 Ti4 Cd2 C6
data_[Sc4Ti4Cd2C6] 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 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 [3.2314] _cell_length_b [3...
0.795265
N/A
N/A
train
original data
P6_3/mmc
710
false
564
V2 Sn2 Mo2 N2
data_[V2Sn2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 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 [3.1408] _cell_length_b [3.140...
1
N/A
N/A
train
original data
P6_3mc
4,221
false
3,380
Ti2 Mn2 Ge2 N2
data_[Ti2Mn2Ge2N2] 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_3mc] _cell_length_a [3.0567] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3mc
1,467
false
1,161
Cr2 As2 W2 C2
data_[Cr2As2W2C2] 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_3mc] _cell_length_a [3.1450] _cell_length_b [3.145...
0.761618
N/A
N/A
train
original data
P6_3mc
4,871
false
3,898
Sc4 Tl2 V2 N4
data_[Sc4Tl2V2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1620] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,863
false
3,891
V4 P2 W4 N6
data_[V4P2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 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 [2.8782] _cell_length_b [2.8782]...
1
N/A
N/A
train
original data
P6_3/mmc
3,720
false
2,978
Ta4 Sn2 Mo4 N6
data_[Ta4Sn2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2545] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
63
false
50