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-2229097
7.752628
10.082517
-3.831136
other
Mg1Cr4O12
17
1
295.62
mp-676144
-5.346504
0.025465
-5.453304
other
Ti1Cr2S4
7
1
115.7
mp-626562
10.414952
3.776765
-4.14042
other
Ca2H32O20
54
1
454.21
mp-1395214
7.70683
5.125814
-1.759716
other
V4O7F5
16
1
209.68
mp-1361818
7.477334
5.039876
-1.690552
other
Co5Bi8O20
33
1
491.07
mp-626750
10.981997
4.035583
-3.96256
other
Sr2H8O6
16
1
168.88
mp-627418
11.541506
4.461226
-4.069896
other
Ge7H18O23
48
1
473.58
mp-1178459
7.573411
9.941411
-3.838929
other
Cr12Fe7O48
67
1
926.74
mp-635393
-1.138686
0.023834
-1.570528
other
Ca2P1I1
4
1
123.59
mp-762572
12.714018
-0.082343
-0.052433
other
Mn12O14F10
36
1
395.46
mp-676333
11.804804
8.300845
-0.198945
other
Ga11N1O15
27
1
290.46
mp-765543
8.34384
11.656482
-0.822121
other
Sr3Rh16O32
51
1
617.01
mp-1247860
-4.031465
-1.416044
-5.315739
other
Ag5Au3S4
12
1
325.49
mp-1360989
6.311289
10.122414
-2.045327
other
Al8Fe6O24
38
1
412.01
mp-721795
8.38445
1.339927
1.082404
other
Nd1Pb7F17
25
1
426.88
mp-706241
10.956272
11.199796
-2.528165
other
Rb8W13O43
64
1
1,136.3
mp-627141
13.395652
7.51797
-1.265221
other
Si20H20O30
70
1
961.38
mp-676711
8.242928
2.523195
-1.444454
other
C4I4F20
28
1
514.37
mp-627123
13.397299
7.466657
-1.222313
other
Si20H20O30
70
1
942.02
mp-1182430
10.437909
3.734229
-4.142893
other
Ca2H32O20
54
1
457.73
mp-685217
11.657932
8.03803
-0.487812
other
Na8Ga42O67
117
1
1,460.17
mp-530644
7.525951
12.032786
2.014951
other
Nd18Mn20O60
98
1
1,196.01
mp-675681
8.49957
1.322908
1.973007
other
Ba8Er6F34
48
1
734.37
mp-761089
11.809851
-0.521994
1.186787
other
Mn12O5F19
36
1
452.84
mp-861962
8.342008
1.916193
-0.505049
other
Ba1Sb2F12
15
1
232.25
mp-1216289
9.883801
7.330929
-5.909879
other
Zn8P6O26
40
1
607.39
mp-1178894
10.554981
8.529113
-4.921425
other
V4H4O12
20
1
262.15
mp-675593
-4.761674
0.151793
-4.882654
other
K3V5S10
18
1
384.63
mp-676260
-5.76941
-2.94701
-2.743044
other
Ag9Te4Br3
16
1
437.05
mp-779774
12.698436
0.492663
0.229869
other
Fe10O11F9
30
1
344.57
mp-757507
9.676939
8.609476
0.440113
other
Sm6Bi10O24
40
1
689.41
mp-686129
1.894829
2.231695
1.607131
other
Li80Ti16N48
144
1
1,399.52
mp-2647151
5.813946
2.13781
-2.667199
other
H5C56O1
62
1
2,208.87
mp-762347
2.552598
2.553973
1.113207
other
Sn16N16O8
40
1
535.04
mp-763965
12.467901
12.557878
-3.94773
other
V6O9F9
24
1
295.48
mp-764645
10.048364
0.367766
0.031573
other
Li6Mn2F14
22
1
273.6
mp-675345
-3.824034
-1.685426
-5.213671
other
Bi20S24Cl12
56
1
1,428.72
mp-1101234
12.459171
12.557584
-3.934266
other
V6O9F9
24
1
291.58
mp-756387
13.322122
0.502669
1.441217
other
Fe6O5F7
18
1
211.39
mp-849552
12.79588
-1.136449
0.690072
other
Mn12O10F14
36
1
424.34
mp-776313
1.302337
1.910427
2.738069
other
Ti16N16O8
40
1
428.7
mp-715212
-4.000534
-1.56777
-5.491013
other
In10Bi6S24
40
1
957.14
mp-1302830
10.921902
2.826038
1.475494
other
V4O1F11
16
1
196.01
mp-706524
9.653211
8.500805
2.790266
other
Sr6La8O18
32
1
678.51
mp-1221448
6.404713
13.484
-1.87618
other
Na1Co2O4
7
1
85.02
mp-1233779
6.688909
6.110165
-3.800777
other
Sr2Ca1O12
15
1
239.95
mp-760205
10.480525
4.383238
-6.591014
other
Ba16S16O59
91
1
1,451.53
mp-780092
10.562195
2.260674
-0.193728
other
V6O5F19
30
1
437.24
mp-705680
11.371618
11.065306
-3.758332
other
La4Mo4O18
26
1
389.07
mp-1274319
12.777295
13.402704
-0.950197
other
Li4V6O12
22
1
227.96
mp-757773
11.894794
13.825539
-1.267258
other
Li10V10O24
44
1
445.76
mp-1178312
12.483164
0.964791
2.469674
other
Fe10O5F15
30
1
361.63
mp-1046025
13.010581
10.820576
-0.384823
other
Mg1Mo4O8
13
1
186.01
mp-764002
9.958122
12.030807
-4.681417
other
V6O12F6
24
1
305.9
mp-625838
10.421094
6.286896
-4.236523
other
Fe16H16O32
64
1
694.85
mp-2236422
11.206743
12.589741
-3.590163
other
V5Co1O12
18
1
252.96
mp-760134
10.485475
10.304791
-0.028396
other
Nb4Sb12O32
48
1
664.71
mp-1390793
4.486244
3.173354
-3.747072
other
Sb1S4N3
8
1
213.01
mp-676280
10.843484
11.745649
3.213845
other
Na8Ta8O24
40
1
583.55
mp-686208
2.273179
2.24832
1.482272
other
Li80Si16N48
144
1
1,271.31
mp-760930
11.410861
2.96568
1.311073
other
V6O3F15
24
1
295.35
mp-1042597
12.950117
10.818389
-0.409327
other
Zn2Mo4O8
14
1
184.13
mp-675301
6.035545
5.184163
-4.310547
other
Na2N4O4
10
1
182.6
mp-626293
10.498247
3.689359
-4.128356
other
Sr2H32O20
54
1
459.12
mp-1173258
7.526237
10.453147
0.951966
other
Sr16Rh8O32
56
1
802.38
mp-998157
-0.472843
1.207867
-4.589411
other
Rb1Sn1Br3
5
1
205.87
mp-1227291
-3.448972
-3.798664
0.611323
other
Cd8Cu7P30
45
1
872.6
mp-1046548
12.910588
10.613235
-0.027489
other
Zn1W4O8
13
1
190.12
mp-2229279
10.770376
13.272624
-3.623228
other
Mg1V5O12
18
1
201.73
mp-1177252
10.03622
11.912202
0.517123
other
Li32Ti8O32
72
1
823.28
mp-531689
10.035538
13.067855
0.118111
other
Ti12Ni12O36
60
1
624.1
mp-698762
11.752711
12.235597
1.10079
other
Ta12Mn24O54
90
1
1,128.35
mp-531942
7.469178
12.920047
-1.049222
other
Li9Ni23O32
64
1
574.89
mp-676723
10.259049
4.309473
-7.36153
other
Li4S2O8
14
1
165.07
mp-880027
7.710899
11.200576
-1.850244
other
Li4Mn12O24
40
1
440.27
mp-625583
10.279972
3.078565
-3.971315
other
H14Br2O6
22
1
232.99
mp-675882
10.193015
9.799376
3.38321
other
Dy10Ti5O25
40
1
572.22
mp-1218127
10.764077
8.139885
-1.270299
other
Tl32Si8O37
77
1
1,656.3
mp-1332293
-4.186997
-1.76618
-3.355841
other
K24B54Se54
132
1
3,301.99
mp-1644001
7.044513
19.57465
-0.184636
other
Li14Mn10O24
48
1
441.81
mp-673839
12.621469
12.169532
-0.244962
other
Mg12V8O24
44
1
478.98
mp-1248872
13.556565
7.367479
-1.169544
other
Si20H20O30
70
1
879.44
mp-762390
12.440871
13.39662
-1.787154
other
Li1V5O10
16
1
189.39
mp-1568829
10.58678
2.152161
2.395123
other
Fe8O2F12
22
1
265.46
mp-1349934
-2.62693
-2.710116
-5.672459
other
Ho14Pb3S24
41
1
888.99
mp-675792
-6.071309
-3.493511
-2.169014
other
Ga8Hg4Te16
28
1
942.94
mp-1096805
5.92548
5.762645
-3.910475
other
Ag1Br1O2
4
1
118.07
mp-2217657
9.522918
14.332383
-0.22885
other
Mg1Mn4O6
11
1
127.6
mp-771044
9.240157
12.82368
-1.645989
other
Mn5Te3O16
24
1
309.47
mp-2217240
7.998056
10.361076
-3.740928
other
Mg1Cr2O6
9
1
152.49
mp-1182707
10.65653
5.822183
-4.277002
other
Fe16H20O34
70
1
682.89
mp-674325
7.018229
5.405733
-4.82363
other
Rb4C1O6
11
1
288.53
mp-2228945
11.403878
10.895117
-3.334358
other
Mg1Mo4O12
17
1
271.96
mp-1178341
12.701748
0.489613
0.230002
other
Fe10O11F9
30
1
344.1
mp-685283
-1.023545
2.449576
-3.118595
other
Ag13Bi15I64
92
1
4,233.17
mp-780760
13.370977
0.428942
1.212927
other
Fe10O9F11
30
1
351.84
mp-1221046
8.83265
1.827874
1.909414
other
Na3Pu3F12
18
1
238.18
mp-756120
11.800235
0.794563
-0.140338
other
Fe6O7F5
18
1
208.07
mp-1180517
6.719896
6.146433
-4.024812
other
Mg1S1O9
11
1
244.56
mp-1200595
10.914037
12.019702
-3.48797
other
V8Cd18O38
64
1
919.63