mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1173144
-3.371896
-2.475142
-3.599557
other
Ta4Os2Se12
18
155
5,965.13
mp-1217094
-5.607881
-2.974182
3.459784
other
Ti3Nb3Sn2
8
155
147.28
mp-1218370
8.661952
3.556166
-7.074498
other
Sr1C1O3
5
155
74.54
mp-1246940
4.69411
2.351064
-3.170647
other
Ni2C3N6
11
155
100.73
mp-1220570
-5.800168
-1.784455
3.823997
other
Nb3V3Si2
8
155
119.88
mp-989460
5.091202
2.157642
-3.032468
other
B2C3N6
11
155
263.06
mp-1245833
5.145793
2.251205
-3.012996
other
Fe2C3N6
11
155
113.07
mp-1102280
7.886014
6.496004
-5.036417
other
Tl1S2O9
12
155
192.74
mp-676851
6.316487
4.969285
-4.473942
other
K1N1O3
5
155
86.26
mp-674940
-1.00438
0.806356
-1.435959
other
La12Au3I13
28
155
1,054.29
mp-779008
7.435221
16.769882
-0.723527
other
Li16Mn12O32
60
155
576.87
mp-568116
4.801218
2.016869
-2.676787
other
Lu2C3N6
11
155
168.41
mp-27405
8.323694
2.023665
-0.622336
other
Sn3As3F21
27
155
433.14
mp-1220636
-5.56989
-1.753503
3.812539
other
Nb3Al2Mo3
8
155
132.31
mp-1245761
4.870167
2.383481
-3.292853
other
Nb2C3N6
11
155
170.09
mp-1105613
-7.68205
-4.800316
3.170582
other
Li8Si2Pt6
16
155
232.65
mp-29462
-6.047486
-3.406429
-2.255288
other
Na4Ga12Te20
36
155
1,134.96
mp-1101595
12.530464
8.836377
-5.722482
other
Mo4P6O24
34
155
487.82
mp-1225179
-7.022884
-0.338886
3.140409
other
Fe12Ge3As2
17
155
216.72
mp-1216481
-6.196876
-0.991922
3.663018
other
V3Cr3Si2
8
155
95.65
mp-1228480
-4.06797
-4.906165
5.702981
other
Ba8Si43Ni3
54
155
1,100.5
mp-1246898
4.56257
2.297395
-3.201762
other
Sn3C24N18
45
157
857.67
mp-753678
11.328302
11.246978
-2.477032
other
Ba1W6O18
25
157
362.05
mp-30300
11.280622
7.703274
-2.784883
other
Cs3As5O9
17
157
384.12
mp-1104686
-4.156266
-1.732621
-5.080958
original
Cs4Au6S5
15
157
502.62
mp-1245937
4.47718
2.263998
-3.216032
other
Cd3C24N18
45
157
872.25
mp-1245462
4.556888
2.260519
-3.221551
other
Zn3C24N18
45
157
786.42
mp-567528
-6.641798
-6.90588
2.910384
other
Li17Ag3Sn6
26
157
481.37
mp-1190911
10.375883
12.364186
-3.82843
other
Rb3V5O14
22
157
348.17
mp-1228121
-6.174288
-7.585773
4.026866
other
Ba5Mg18Ge13
36
157
840.56
mp-555565
6.787419
9.098428
-1.302891
other
Ag5Pb2O6
13
157
208.06
mp-1219544
5.955075
5.196287
-4.279604
other
Rh1N6O9
16
157
235.41
mp-1103891
8.36495
8.006641
-2.419248
other
Mg3Si2O9
14
157
188.17
mp-768770
9.889372
10.599977
-3.448525
other
Mg3Re6O24
33
157
483.64
mp-561468
-4.578122
-1.323633
-5.929735
other
Cu4Si2S6
12
157
215.67
mp-29305
9.943939
10.56201
-3.293664
other
Re6Pb3O24
33
157
516.98
mp-1245468
4.414259
2.188334
-3.179107
other
Ba3C24N18
45
157
848.78
mp-1192129
10.434141
12.402464
-3.74603
other
Tl3V5O14
22
157
336.96
mp-1246085
4.414684
2.201026
-3.191673
other
Sr3C24N18
45
157
766.47
mp-27704
10.365045
12.357487
-3.874967
other
K3V5O14
22
157
326.56
mp-1246239
4.510277
2.207501
-3.212297
other
Mg3C24N18
45
157
828.77
mp-1102874
7.285408
8.165465
-2.649592
other
Ca3Cl2O6
11
157
212.52
mp-1195224
-6.199433
-6.53912
3.560999
other
Na6Li54Ge51
111
157
2,111.5
mp-755775
10.147207
12.264596
-4.057294
other
Li3V5O14
22
157
325.93
mp-767772
10.001617
2.364761
1.697636
other
Li6V4F18
28
158
325.07
mp-1371141
10.488115
0.850105
1.603905
other
Li6Mn6F18
30
158
356.52
mp-565711
12.75903
7.265831
-4.773001
other
P24O24F36
84
158
1,447.23
mp-1341677
8.23893
12.877079
-1.330749
other
Nb4Co6O18
28
158
326.22
mp-1223430
8.603637
1.680343
-0.072852
other
La6B18F72
96
158
1,226.54
mp-1209578
-0.678676
1.237329
-4.767712
other
Rb6Co6Br18
30
158
902
mp-643683
-5.376849
-6.821494
3.50515
other
Ba10Ga12H4
26
158
763.77
mp-1232651
10.652676
12.572777
-0.018935
other
Nb4Co8O18
30
158
337.62
mp-1377939
10.010795
13.392045
0.121914
other
Mn6Nb4O18
28
158
351.16
mp-1223660
2.186997
2.121412
1.537969
other
In1Ga1N2
4
156
55.56
mp-1221482
-4.536644
-1.141917
-2.994197
other
Na4Nb6Se12
22
156
498.4
mp-1224004
-7.916732
-4.876024
5.575959
other
Ho2Ga3Cu1
6
156
115.82
mp-753904
10.654825
12.792998
0.250045
other
Mn7O7F1
15
156
211.93
mp-1215733
-7.085163
-1.019708
4.775018
other
Zr3Mn8Si1
12
156
164.16
mp-1027647
-5.898875
2.027674
-4.904085
other
Mo2W2S8
12
156
305.36
mp-1030335
-9.41357
1.995272
-3.852641
other
Te8Mo2W2
12
156
439.99
mp-12681
-5.952493
-3.207716
-2.121193
other
Li1Mn1Te2
4
156
112.34
mp-1014244
1.833372
1.884791
2.276474
other
Zr1Zn1N2
4
156
49.25
mp-1225386
-8.063265
-5.073511
5.77865
other
Dy2Ga3Ni1
6
156
119.78
mp-1041063
6.993789
13.508171
-1.519943
other
Ca6Co12O24
42
156
505.48
mp-1220667
-7.143614
0.203926
4.391317
other
Nb3Al1Fe8
12
156
153.66
mp-1221591
-5.900787
-3.476678
-2.41427
other
Mn1Hg2Te3
6
156
206.02
mp-1227656
-5.942818
-3.690973
-1.946682
other
Bi3Te5Pb1
9
156
317.7
mp-1219253
-8.194777
-6.346196
5.357669
other
Sm2In3Cu1
6
156
148.46
mp-1232365
-9.160265
-4.658963
3.253965
other
Cu27C1O1
29
156
691.68
mp-1028409
-6.942205
1.653794
-4.282008
other
Mo3W1Se8
12
156
361.84
mp-1226999
-7.74835
-5.160977
4.889837
other
Ce2Ga3Cu1
6
156
130.87
mp-1225670
-2.935638
-3.809886
0.86835
other
Cu1Si2P3
6
156
109.59
mp-1217140
-4.018615
-0.266459
-4.309721
other
Ti3Se2S4
9
156
190.07
mp-2225848
6.840082
12.849257
-1.413002
other
Mg1Ni2O4
7
156
73.77
mp-1223227
-6.590903
-6.808055
3.125848
other
Li22V7Sn7
36
156
645.87
mp-1206851
-6.054478
-3.629698
-1.759321
other
Lu1Ag1Te2
4
156
123.33
mp-1025906
-6.017411
1.872213
-4.594567
other
Mo3Se4S2
9
156
271.72
mp-1026348
-9.113254
2.648889
-5.022159
other
Te2W3Se4
9
156
314.38
mp-1048859
11.343772
13.063175
-0.038297
other
Zn6Cr12O24
42
156
459.01
mp-1028755
-10.047976
2.450946
-4.245878
other
Te6W4S2
12
156
405.7
mp-1216698
-4.097252
-0.404512
-4.15253
other
Ti1Se1S1
3
156
65.14
mp-1100834
-4.919727
-3.599798
-3.887853
other
Yb1Cu1Se2
4
156
94.43
mp-1044907
12.795845
10.837951
1.773899
other
Mg6Ti12O24
42
156
465.47
mp-1044835
9.59071
8.67842
0.049551
other
Ca6Bi12O24
42
156
747.03
mp-10232
-5.093075
-2.770104
-3.829431
other
Na1Mn1Se2
4
156
101.53
mp-999337
7.010576
12.000522
-1.952253
other
Ni1H1O2
4
156
35.17
mp-1227488
-8.116901
-6.219125
1.839447
other
Ca2Bi4Au12
18
156
385.93
mp-1219519
-5.335371
-0.194403
3.253051
other
Re2W4C2
8
156
107.22
mp-1223815
-4.46632
-3.943105
-3.932137
other
Ho1Cu1Se2
4
156
91.35
mp-1103047
-3.882058
1.110782
3.206599
other
Li4Be4B4
12
156
115.71
mp-1030108
-9.519453
2.042517
-3.98754
other
Te8Mo1W3
12
156
430.66
mp-1026980
-6.208862
1.782393
-4.427139
other
Mo4Se6S2
12
156
333.76
mp-1101422
7.842829
13.257542
-1.294603
other
Sr2Fe23O38
63
156
727.34
mp-1223996
-4.73476
-1.26755
-5.872503
other
In1Cu1S2
4
156
86.83
mp-1225547
-6.060952
-3.618642
-1.766139
other
Er1Ag1Te2
4
156
127.3
mp-1224009
2.181185
2.102359
1.386124
other
In3Ga1N4
8
156
119.97
mp-1173103
-6.057523
-3.481601
-1.794857
other
Tb1Cu1Te2
4
156
112.98
mp-1028452
-10.101164
2.433901
-4.291697
other
Te6W4Se2
12
156
420.56
mp-2225277
-3.98614
-0.298672
-4.539146
other
Mg1Ti2S4
7
156
141.17
mp-1193340
7.241802
4.185012
-5.480568
other
Bi3C9O18
30
156
439.78