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-1173362
10.666138
8.065853
2.746808
other
Pr2S2O2
6
12
114.33
mp-1223491
-7.156326
-0.68894
4.503221
other
La2Mn17C2
21
12
272.43
mp-1262197
9.552697
13.819376
-1.694844
other
Al4Cr4O14
22
12
216.05
mp-1216805
-5.629167
-3.490122
4.720315
other
U2Si2Pt2
6
12
112.5
mp-1227035
-6.321712
-3.481071
0.748565
other
Co20Sn2Sb60
82
12
1,901.03
mp-29082
1.446575
1.779599
1.420066
other
Ba10Cr2N10
22
12
556.57
mp-754262
11.30596
7.447773
-4.16363
other
Zn2As2O7
11
12
137.36
mp-973666
-5.350987
-1.46841
-3.413501
other
K1V5Se8
14
12
298.54
mp-1189700
-6.675304
-4.793103
5.17161
other
Pr4Mg7Ge6
17
12
393.73
mp-763934
11.520826
-0.098664
1.485877
other
Mn6O2F10
18
12
236.12
mp-1276359
9.154733
7.455543
-4.013411
other
Co1H1O2
4
12
34.53
mp-1044720
11.481478
11.077704
0.842431
other
Ca4Cr4O8
16
12
245.91
mp-757508
8.284991
14.591131
-1.35651
other
Li6Mn15O32
53
12
549.95
mp-1174345
4.016181
19.748459
-1.801313
other
Li7Co5O12
24
12
214.39
mp-1225194
-6.27319
-5.860104
5.340542
other
Eu2Al2Ga2
6
12
137.53
mp-1202919
-3.013944
-2.436411
-5.354712
other
Yb11Sm4S22
37
12
932.1
mp-1216737
-7.378722
-3.361164
4.178785
other
U2Ni2Ge2
6
12
104.76
mp-1045953
7.264521
12.437507
-1.102631
other
Ca2Ni9O13
24
12
242.48
mp-1386610
10.142962
9.418751
0.221438
other
Ca2Sn3O8
13
12
181.12
mp-1402707
1.018815
2.479453
1.843961
other
Mg4Mn2N4
10
12
120.06
mp-5280
11.703986
7.585571
-1.061556
other
In2Ge2O7
11
12
143.25
mp-583724
-6.423173
-5.365045
4.34482
other
Yb7Al5Ge8
20
12
437.64
mp-1223869
1.288802
2.379248
-5.643312
other
K4Na1Cl5
10
12
292.41
mp-1237963
-4.559281
-3.940682
-3.891759
other
Tb2Mg2Se6
10
12
289.83
mp-530628
8.14097
14.358226
-1.383564
other
Li10Mn21O48
79
12
854.54
mp-1219992
-8.43362
-0.119249
4.535025
other
Pr2Cr2Co15
19
12
247.11
mp-1217654
11.122763
10.870528
-3.44123
other
U3Mo20O64
87
12
1,226.71
mp-1192941
-4.660995
-0.960686
-3.051458
other
Nb8Pt1Se20
29
12
692.28
mp-3070
8.636068
3.697958
-7.136943
other
Na4C2O6
12
12
133.31
mp-865750
10.337184
9.395241
-1.737108
other
Li4Te2O6
12
12
183.34
mp-1080207
7.993717
16.87969
-0.482059
other
Li6Mn8O16
30
12
294.85
mp-28051
-5.714556
-3.091074
-2.168019
other
Sb2Te2I2
6
12
226.99
mp-5274
10.349915
11.082626
3.132341
other
Th1Ti2O6
9
12
116.29
mp-752790
5.3445
10.095526
-2.313519
other
Li2Fe2O6
10
12
108.3
mp-1191584
-2.569667
0.403771
2.425992
other
Y8Rh5C12
25
12
371.33
mp-1238855
-5.403269
0.025632
-5.487656
other
K1Cr2S4
7
12
137.02
mp-1222234
-5.334687
-0.709857
-4.825557
other
Mn4Fe1S5
10
12
159.87
mp-27140
9.773317
9.949959
-0.926398
other
K4Sb8O22
34
12
528.29
mp-772296
7.799936
10.164535
-3.831247
other
Zn4Cr4O16
24
12
295.07
mp-1226570
7.543157
12.248849
-1.259759
other
Co1Rh2O6
9
12
244.14
mp-1225420
0.108033
2.19847
2.258254
other
Fe3W4N8
15
12
150.27
mp-1214935
-4.044184
-1.953469
-5.155702
other
Ag3Bi8S13
24
12
600.38
mp-2650313
-5.686996
-1.670731
-2.875938
other
Fe2Ni1Se4
7
12
118.45
mp-1069083
3.125334
3.430954
-4.040541
other
Mn1Cl2O2
5
12
93.27
mp-1193754
-3.08571
-2.539642
-4.131092
other
U8Ti1S17
26
12
582.11
mp-569623
-1.76672
0.555524
-3.885964
other
Nb2Se4Br4
10
12
273.81
mp-1225425
-6.929141
-6.81614
4.031927
other
Eu2Zn2In2
6
12
150.96
mp-1095467
12.430837
6.535903
0.086887
other
Tm2Si2O7
11
12
138.08
mp-1174463
6.398555
20.50704
-0.247185
other
Li8Mn6O14
28
12
270.39
mp-1045982
10.847705
12.617191
-0.460951
other
Mg2Fe9O13
24
12
255.92
mp-1025203
-4.970166
-1.601531
-3.054143
other
Ti2V1Se4
7
12
140.44
mp-1176945
7.519504
13.745947
-0.895261
other
Li8Fe7O15
30
12
271.07
mp-1219267
-7.728262
1.07909
5.054893
other
Sm2Fe17C1
20
12
265.55
mp-1225196
-6.918569
-6.700722
4.343769
other
Eu2Zn2Ga2
6
12
131.68
mp-558023
9.764746
9.911402
-0.908945
other
Rb4Sb8O22
34
12
536.52
mp-531527
11.709761
11.920435
2.121574
other
Ba3Ti20O40
63
12
763.18
mp-1237572
-6.311943
-4.528939
0.970969
other
Tb2Sb2Pd2
6
12
166.38
mp-1216419
-3.077597
-1.913422
-5.338299
other
Yb16Sb8S45
69
12
1,819.08
mp-1226615
-7.935749
-4.805373
3.799222
other
Ce2Ge2Pd2
6
12
124.66
mp-28611
10.780035
11.161733
3.181743
other
Th2Ta4O14
20
12
250.58
mp-1205791
-7.630567
-3.171099
5.393844
other
Ho4Ge4Ru2
10
12
202.25
mp-1275355
5.968393
10.992085
0.254512
other
Sr8Co4O16
28
12
377.16
mp-1217226
-6.332484
-1.759816
4.282724
other
Ti6V6Ge10
22
12
324.2
mp-1282829
11.811403
12.612167
0.280361
other
Li6Cr10O16
32
12
316.18
mp-756868
9.055129
8.554749
0.34366
other
Rb6Dy2O6
14
12
350.41
mp-1397348
1.394497
2.417979
1.688696
other
Mg4Ni2N4
10
12
120.64
mp-31094
-5.138435
-3.340167
6.129606
other
Tb4Fe2Si4
10
12
191.64
mp-542443
-5.533278
-0.117851
-5.754384
other
Tl2Cr6S10
18
12
349.1
mp-1181630
-8.378961
-6.284624
6.534049
other
Er34Te6Ru12
52
12
1,302.53
mp-1210689
3.541526
-0.143746
-2.594198
other
Mg1H6Cl2
9
12
258.68
mp-1187898
-8.063245
-6.892828
4.900944
other
Yb1Gd1Zn2
4
12
86.01
mp-1080840
1.611274
2.428281
0.166771
other
K3Sm1N6
10
12
271.14
mp-1205342
-5.99567
-3.220108
-2.577321
other
K2Ag6Te4
12
12
336.06
mp-1206182
-0.789938
0.778199
-1.802184
other
La2C2I2
6
12
173.98
mp-1215795
5.652865
11.762674
-1.892696
other
Zn1Ni4O10
15
12
154.58
mp-758327
9.563488
8.599422
-0.30485
other
Sr7Bi23O40
70
12
1,365.97
mp-1178422
9.673394
8.410539
-0.270998
other
Cs6Ga2O6
14
12
327.37
mp-1103787
-6.207812
-2.394035
4.036391
other
Si7Ni4Au2
13
12
178.96
mp-13743
10.115711
8.378787
0.086119
other
K6Ga2O6
14
12
248.74
mp-1232152
-4.401074
-3.799991
-3.739824
other
Pm4Mg4Se12
20
12
554.4
mp-1173889
3.847073
19.161987
-1.853282
other
Li4Co2O6
12
12
105.95
mp-760492
8.137413
10.265063
-0.284991
other
Na4Pt1O4
9
12
123.78
mp-568666
-1.192484
3.078398
-3.108634
other
Rb2Au2I6
10
12
421.05
mp-1174340
4.260669
19.014071
-1.877806
other
Li7Co5O12
24
12
206.05
mp-1100505
7.131678
19.575937
-0.111803
other
Li9Mn7O16
32
12
296.59
mp-1173964
6.762945
19.799263
-0.283452
other
Li6Mn4O10
20
12
182.37
mp-3943
10.217688
11.503585
2.924731
other
Ba3Ti6O15
24
12
315.81
mp-10434
-5.626902
-3.689854
-1.184408
other
K4U2Te6
12
12
459.2
mp-1025281
-4.884434
-1.455063
-3.035158
other
Ti2Ni1Se4
7
12
131.58
mp-768610
10.30463
11.24432
0.287002
other
Sr7W4O19
30
12
398.93
mp-1174015
6.741201
19.726568
-0.294794
other
Li6Mn4O10
20
12
182.21
mp-1291967
12.332228
12.29749
-0.152911
other
Ta4V4O16
24
12
277.1
mp-1222771
11.402491
11.300132
-2.277341
other
Li3W8O24
35
12
412.54
mp-1102696
5.908821
5.137702
-4.170947
other
Ni1N6O4
11
12
170.07
mp-1341998
12.080612
11.832808
0.340939
other
Mg4Cr4O8
16
12
196.28
mp-1219449
7.638983
5.622137
-3.187219
other
Sc2In2O12
16
12
193.35
mp-1232197
-2.958606
-2.349606
-5.523043
other
Ce2Mg2S6
10
12
249.94
mp-1043797
12.3875
10.376725
0.695078
other
Ca4V4O8
16
12
230.66
mp-1190804
10.672547
12.776742
2.35506
other
Ti6H4O14
24
12
295.78
mp-14951
9.985778
8.294725
0.080638
other
Rb6Al2O6
14
12
272.67