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-32959
10.439995
3.664793
-4.032714
other
H4O2
6
102
36.32
mp-1101145
-6.177801
-2.372243
-0.588676
other
Te16Rh15
31
10
637.24
mp-1181657
9.747125
13.128889
-0.814386
other
Fe12O16
28
10
319.43
mp-1216300
-5.90278
-3.87457
3.455681
other
Zr20Sn13
33
10
760.17
mp-1075532
-2.093341
-5.925427
7.476302
other
Mg10Si12
22
10
407.12
mp-1080347
-4.273413
-4.589188
-3.398701
other
Ce4Se8
12
10
455.89
mp-1220379
-7.711639
-2.389353
3.787638
other
Nb2Rh4
6
10
92.52
mp-559445
12.075533
12.297365
-2.559689
other
V4O8
12
10
285.92
mp-1217869
-5.310735
-3.266629
3.60178
other
Ti24Pb19
43
10
899.13
mp-1018888
1.849175
2.780356
-4.859517
other
Pd2Cl4
6
10
177.23
mp-566801
11.830918
12.469542
-2.848789
other
V4O8
12
10
299.44
mp-1238961
10.937651
12.02526
2.980344
other
Ta2O5
7
10
96.88
mp-1217429
-6.139663
-2.332757
-0.876227
other
Te16Rh9
25
10
600.47
mp-1075211
-2.298106
-5.795255
7.35585
other
Mg6Si8
14
10
248.31
mp-560708
15.555773
5.669744
0.34472
other
Si28O56
84
10
1,577.86
mp-1217804
-5.286297
-2.634782
3.565228
other
Ta22Al8
30
10
520.34
mp-1073594
-3.138159
-5.13899
6.764847
other
Mg4Si8
12
10
202.94
mp-1073330
-3.089862
-5.155175
6.727554
other
Mg4Si8
12
10
197.13
mp-1223755
-8.070745
-3.367573
2.675713
other
In8Pt16
24
10
400.84
mp-907
11.77982
11.294924
-2.176656
other
W18O49
67
10
943.21
mp-1181546
9.782866
13.121842
-0.814954
other
Fe12O16
28
10
317.36
mp-27732
11.125863
11.230859
-2.798654
other
W20O58
78
10
1,131.33
mp-1223977
-8.076279
-3.278695
2.640241
other
In5Pt11
16
10
265.32
mp-1073268
-2.715507
-5.466548
6.819073
other
Mg4Si8
12
10
250.6
mp-567345
-6.655405
-2.103524
3.891689
other
Nb3Rh3
6
10
95.24
mp-1041270
9.998304
9.985823
-1.386748
other
Sb8O18
26
10
386.74
mp-1216708
-6.743134
-0.992858
3.607067
other
V18Ni12
30
10
359.47
mp-1188928
-9.07374
-4.90881
3.625226
other
In9Cu11
20
10
332.85
mp-1251148
9.086247
0.968285
1.124342
other
Al2F6
8
10
102.28
mp-1199711
14.313882
6.662992
-0.59176
other
Si72O116
188
10
3,734.74
mp-1096934
0.69107
3.076673
1.549096
other
Cr28N56
84
10
1,971.64
mp-1228008
-6.117826
-5.7621
0.742165
other
Ba1Bi5
6
10
211.9
mp-1073366
-3.099844
-5.113739
6.739768
other
Mg4Si8
12
10
194.65
mp-1197770
11.667056
11.305923
-2.298545
other
W17O47
64
10
915.61
mp-1179617
11.962711
10.507318
-1.918767
other
W17O47
64
10
1,059.01
mp-796336
8.171429
14.328629
-1.666048
other
Mn6O12
18
10
248.38
mp-1181766
5.285297
11.125506
-2.444095
other
Fe8O16
24
10
309.66
mp-1216851
-6.437505
-0.881837
3.739018
other
V32N3
35
10
442.17
mp-1181340
9.48765
13.198565
-0.789004
other
Fe3O4
7
10
79.35
mp-1219822
-7.658166
-2.676309
2.379812
other
Ni7Sn8
15
10
263.1
mp-1215428
-5.521889
-2.875631
2.764817
other
Zr32As20
52
10
1,106.31
mp-1080628
-4.273803
-4.978023
-3.420211
other
Ce28Se56
84
10
7,480.04
mp-1073304
-2.480658
-5.512872
7.044756
other
Mg4Si8
12
10
237.77
mp-684657
7.868305
10.888912
-0.857277
other
Pd42O48
90
10
1,143.42
mp-1217152
12.41804
9.324657
2.353527
other
Ti6O3
9
10
111.98
mp-1180197
8.230808
9.364572
-3.756667
other
Mo2O10
12
10
184.49
mp-1073669
-3.10865
-5.172408
6.708431
other
Mg4Si8
12
10
201.35
mp-2637304
13.167474
7.814576
0.384994
other
Al4O6
10
10
129.26
mp-569073
-6.562336
-6.62912
2.592257
other
Li3Sn3
6
10
122.9
mp-673800
8.194005
5.509186
-1.19026
other
U22S40
62
104
901.51
mp-685220
-4.117675
-3.566715
-2.406706
other
U22Se40
62
104
1,537.02
mp-569147
-4.584706
-3.753725
0.943036
other
U4P8
12
107
231.75
mp-20466
-7.858902
-3.553099
3.079535
other
Sn7Ir5
12
107
240.34
mp-7590
-3.558922
-3.892634
0.430468
other
Ge1P1
2
107
35.7
mp-2646978
2.339132
2.112616
1.741767
other
Ga4N4
8
107
83.51
mp-1105025
-6.030053
-3.544263
-1.972112
other
In6Te9
15
107
663.91
mp-22732
-7.374779
-1.618966
3.810789
other
Co5Ge7
12
107
186.9
mp-7526
-3.29002
-4.058925
0.572852
other
Sn1P1
2
107
44.77
mp-7591
-4.64225
-4.64047
0.135339
other
Ge1As1
2
107
42.21
mp-696597
6.183726
0.20888
-3.296572
other
B5H9
14
107
139.4
mp-1219386
-6.783401
-5.835856
2.293251
other
Sn6Rh3
9
107
244.39
mp-32590
1.544004
1.488582
2.464548
other
U16N28
44
108
602.82
mp-9339
-5.335766
-1.90252
2.530902
other
Nb2P2
4
109
64.41
mp-1103947
2.948581
-0.393709
-1.859569
other
La4H10
14
109
176.31
mp-2059
-5.495056
-2.495031
2.3782
other
Nb2As2
4
109
70.96
mp-1936
-5.375017
-2.435669
2.455662
other
Ta2As2
4
109
69.59
mp-1342139
9.431548
10.567948
-2.809893
other
Re4O14
18
109
270.85
mp-28978
-3.122103
-1.764498
-5.346279
other
Ba4S6
10
109
299.96
mp-543061
12.920673
10.533993
-0.501586
other
Mo16O20
36
109
486.09
mp-1067587
-5.485375
-1.935764
2.614871
other
Ta2P2
4
109
63.02
mp-1203368
-4.937078
-4.746936
0.006236
other
Zn48As32
80
110
1,706.59
mp-1198478
4.82162
3.341865
-3.434738
other
Br8N24
32
110
811.19
mp-29292
6.421192
0.325674
-3.414907
other
B80H104
184
110
1,749
mp-1209822
-2.763541
-2.694693
-5.626147
other
Nd4S7
11
111
254.78
mp-1078123
2.505708
-0.268036
-1.44903
other
Ti4H3
7
111
77.84
mp-1104073
6.019413
2.569281
-2.610121
other
C11N4
15
111
87.72
mp-615138
10.880527
0.746775
1.571931
other
Mn4F8
12
111
146.87
mp-1095024
2.748041
-0.316642
-1.636043
other
Ti4H5
9
111
81.19
mp-1195106
7.927385
0.586665
-4.31736
other
H32C20
52
114
439.28
mp-1202282
-1.422469
-0.083102
1.625061
other
Yb30C38
68
114
1,073.31
mp-7819
-6.955
-3.899023
0.311551
other
Pd8S2
10
114
149.54
mp-1198229
-2.255324
0.330129
2.481949
other
Ho30C38
68
114
1,017.39
mp-1201082
-2.385912
0.387842
2.543411
other
Y30C38
68
114
1,043.6
mp-560152
15.328823
5.711915
0.195931
other
Si16O32
48
114
697.88
mp-23195
9.525535
8.607221
-0.597952
other
Bi8O12
20
114
342.9
mp-27519
8.154469
6.991941
-3.808426
other
Se8O24
32
114
489.48
mp-7818
-6.878719
-3.674354
0.335939
other
Pd8Se2
10
114
158.63
mp-239
-2.961319
-1.189993
-5.25724
other
Ba2S6
8
113
203.76
mp-2235359
10.568023
11.168917
-3.110463
other
W4O12
16
113
231.31
mp-1019086
6.407272
2.58634
-2.888783
other
C2N4
6
113
52.11
mp-7548
-4.551728
-2.722075
-3.418211
other
Ba2Se6
8
113
234.4
mp-1281333
9.371246
13.422653
-1.999955
other
Cr4O8
12
113
119.76
mp-733506
10.643034
11.157293
-3.074053
other
W10O30
40
113
574.11
mp-559122
10.656278
11.13252
-3.034886
other
W4O12
16
113
223.81
mp-1178667
7.079831
8.760345
-2.378805
other
Yb4O8
12
113
159.05
mp-8234
-5.85925
-3.505933
-1.502437
other
Ba2Te6
8
113
292.65
mp-20683
-5.577816
-2.822358
-4.467952
other
Cu6Se4
10
113
172.74
mp-705284
11.908581
10.901718
-2.120446
other
W40O112
152
113
2,879.1
mp-31284
-6.590985
-6.34821
2.097031
other
Na2Sn10
12
113
359.54
mp-669497
0.691628
1.031682
-3.667531
other
Dy20Cl44
64
11
1,519.67