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-35795
8.444347
1.530657
0.942203
other
Bi1Pb1F5
7
1
111.52
mp-1182020
10.397044
3.767991
-4.148761
other
Ca2H32O20
54
1
469.53
mp-722212
7.540871
4.967841
-1.680217
other
Zr16N16O8
40
1
538.12
mp-758400
9.417567
13.846611
-0.789406
other
Mn10Fe8O24
42
1
487.48
mp-763215
9.711556
1.014457
-0.529468
other
Ni6O2F10
18
1
204.25
mp-759522
15.27823
12.384648
-0.875412
other
V6O7F5
18
1
203.19
mp-1100938
12.594978
12.488412
-1.361248
other
V6Ga3O15
24
1
305.94
mp-1172980
8.828201
12.40956
-0.213957
other
Li34Co6O24
64
1
610.78
mp-752906
6.051171
8.509593
-0.744231
other
Ba4Pb3O10
17
1
295.54
mp-1042254
11.133827
9.569125
0.234645
other
Zn2Sn4O8
14
1
199.54
mp-625964
8.322482
5.166973
-3.998937
other
Ba2H8O12
22
1
256.78
mp-1225022
-6.602683
-0.555427
2.158719
other
Fe7Ni5P4
16
1
177.89
mp-705676
7.513681
5.905449
-3.513725
other
K4Mo1O8
13
1
258.8
mp-1246864
1.851024
2.231207
1.391712
other
Zn16Cu4N12
32
1
475.96
mp-753244
10.147185
0.681683
-0.223361
other
Li2Mn4F18
24
1
350.03
mp-773043
5.966797
12.364824
-1.613658
other
Li8Fe16O32
56
1
575.25
mp-849479
12.711726
-0.037337
-0.067137
other
Mn12O14F10
36
1
401.45
mp-754652
10.666987
12.616091
-4.647707
original
V4O7F5
16
1
208.92
mp-1100865
7.755417
9.172256
-1.139381
other
Yb10Ti6O27
43
1
548.16
mp-849478
12.82385
-1.147027
0.702475
other
Mn12O10F14
36
1
422.18
mp-626502
11.729518
4.185861
-3.773982
other
Al8H24O24
56
1
432.34
mp-760972
12.430981
-1.042474
0.967296
other
Mn6O4F8
18
1
219.77
mp-677065
8.657362
2.174191
0.652424
other
Ta5O5F15
25
1
331.1
mp-690516
6.779131
10.974293
0.221144
other
Sr2Co2O5
9
1
130.91
mp-1104866
7.973343
8.946812
-3.854772
other
Mg1Re2O12
15
1
286.66
mp-849466
8.594662
15.118068
-1.680035
other
Mn6O10F2
18
1
187.16
mp-1100997
-6.396845
-2.739048
-1.791877
other
Tl1Cr5Te8
14
1
384.75
mp-675329
10.45179
9.947527
4.013946
other
La1Zr9O20
30
1
362.51
mp-626271
10.457537
3.729054
-4.10497
other
Sr2H32O20
54
1
453.47
mp-1235106
6.730214
12.597317
-1.44384
other
Li1Ni9O13
23
1
230.24
mp-1390750
8.675161
4.13733
-1.148677
other
Cr4O1F11
16
1
198.67
mp-626755
10.847038
3.966739
-3.939238
other
Sr2H8O6
16
1
155.55
mp-755158
9.934491
14.958195
-1.438537
other
Mn6O8F4
18
1
196.3
mp-1216324
-2.906461
-2.383634
-5.999376
other
Y12Si5S28
45
1
956.78
mp-1248478
7.379183
12.827461
-1.969859
other
Al6Co6O18
30
1
300.84
mp-777342
12.197993
3.148096
1.004642
other
V8O6F18
32
1
393.35
mp-1173344
6.428922
5.532143
-4.38852
other
Rb4N2O7
13
1
299.43
mp-1340868
7.450526
5.011608
-1.820651
other
In4H12O12
28
1
266.2
mp-1235283
14.599501
6.393845
-0.375945
other
Li1Si6O12
19
1
260.69
mp-697853
10.335828
10.656817
1.091341
other
Ba6W2O12
20
1
367.41
mp-627114
13.349821
7.646429
-1.22923
other
Si20H20O30
70
1
961.39
mp-531553
2.186994
2.272805
1.519686
other
Li80Ge16N48
144
1
1,350.46
mp-1354978
7.529546
4.732742
-1.732913
other
Zr16N16O8
40
1
538.12
mp-1275776
7.643788
12.275871
1.615499
other
Ca4Mn4O10
18
1
230.55
mp-755178
12.437783
-1.046756
0.963035
other
Mn6O4F8
18
1
219.37
mp-772038
11.314506
11.83273
2.626522
other
Nb18P3O50
71
1
1,013.85
mp-764879
12.192292
3.141329
1.0128
other
V8O6F18
32
1
394.83
mp-778369
10.239301
2.44183
0.079819
other
V6O2F22
30
1
417.25
mp-756006
-3.5857
-1.820494
-4.694331
other
Li2Sb2S2
6
1
144.37
mp-1042578
12.881786
10.332605
0.271392
other
Zn2W4O8
14
1
188.77
mp-757982
11.11786
4.086463
-4.19097
other
In4H12O12
28
1
266.2
mp-1244976
10.750527
12.778051
-1.07043
other
Cr24Fe8O48
80
1
1,022.26
mp-764770
9.415148
12.313125
-0.007622
other
Li26Mn4O18
48
1
469.86
mp-1221501
-6.066272
1.497841
-4.456334
other
Mo6Se4S4
14
1
285.28
mp-675751
11.061595
9.76405
4.316198
other
Zr14N4O22
40
1
487.27
mp-685437
3.253665
-0.83921
-2.168406
other
Ca22H51Rh11
84
1
1,043.41
mp-675033
-6.033751
-3.393467
-2.262183
other
Ga12Ag2Te19
33
1
1,154.73
mp-690531
6.902889
11.75021
1.617063
other
La5Mn5O18
28
1
345.51
mp-776212
1.683068
1.806446
2.940133
other
Hf16N16O8
40
1
502.47
mp-1201512
5.414352
-0.455286
-3.012263
other
Mg4B8H31
43
1
693.94
mp-673706
-7.217831
1.624778
-4.318836
other
Li7Mo12Se16
35
1
674.52
mp-775783
1.680161
1.805013
2.943894
other
Hf16N16O8
40
1
502.46
mp-685906
-6.035152
-3.380962
-2.250741
other
Li7Ga24Te40
71
1
2,236.3
mp-675428
6.367833
11.425556
0.316295
other
Sr24Ni19O54
97
1
1,244.41
mp-1640981
7.033409
19.580759
-0.193732
other
Li7Mn5O12
24
1
221.91
mp-2227385
6.601576
13.335378
-1.988025
other
Mg1Co4O8
13
1
147.23
mp-764428
8.448843
13.628392
-0.909253
other
Li12Cr5O16
33
1
285.48
mp-684014
-6.609014
-4.412066
1.100426
other
Sn14Sb11Pt8
33
1
846.75
mp-1233212
13.887567
6.822525
-0.820832
other
Ca1Si6O12
19
1
265.34
mp-757372
11.079743
9.080735
2.009822
other
Sr5U5O19
29
1
423.38
mp-867022
-3.402109
-1.658542
-5.624899
other
Ca6Sn6S18
30
1
883.99
mp-1100869
7.931918
8.870448
-0.956336
other
Yb7Bi17O36
60
1
1,046.09
mp-676910
-6.903322
1.430829
-4.202162
other
Mg3Mo12Se16
31
1
667.87
mp-755229
12.160625
3.127255
1.005987
other
V4O3F9
16
1
199.44
mp-674502
8.950643
10.510468
-1.182594
other
Co5Bi8O20
33
1
491.07
mp-770778
12.398008
12.686217
-0.597467
other
V4Cr4O12
20
1
199.09
mp-773080
12.090749
11.956176
-2.148079
other
V7W6O30
43
1
549.48
mp-753003
7.702522
6.425399
-1.54152
other
Fe8O10F6
24
1
272.58
mp-1173830
-4.591729
-5.653196
0.451889
other
Na24Ga4As12
40
1
983.67
mp-1334909
-4.052649
-4.26631
-3.728891
other
Tb24Pb4Se40
68
1
1,712.61
mp-1182698
10.657096
5.787191
-4.298877
other
Fe16H20O34
70
1
684.29
mp-778467
12.811107
0.879474
2.20276
other
Fe10O6F14
30
1
360.76
mp-1639930
7.027876
19.590553
-0.187975
other
Li14Mn10O24
48
1
442.54
mp-1182738
-4.016962
-5.373624
5.308512
other
Ba8Cu1Si16
25
1
726.05
mp-626570
10.377516
6.116657
-4.376229
other
Fe16H16O32
64
1
733.51
mp-675060
-5.188988
-2.809431
-4.147666
other
In8Cu7Se16
31
1
754.62
mp-703429
9.366973
8.552586
3.176682
other
Ba3Y4O9
16
1
281.62
mp-1179374
10.396701
3.696111
-4.09339
other
Sr1H16O10
27
1
280.85
mp-675075
8.622056
15.127718
-0.730438
other
Li7Mn10O20
37
1
385.16
mp-530524
8.578636
1.557389
0.765484
other
Zr12Tl4F60
76
1
1,018.07
mp-691187
-2.653726
-2.666883
-5.731612
other
Li2Pr2S4
8
1
185.3
mp-1178251
11.226861
0.697957
1.318893
other
Fe5O1F11
17
1
225.05
mp-752587
10.275679
1.332168
-1.719655
other
Co6O5F7
18
1
199.26
mp-849551
11.788271
-0.500779
1.205096
other
Mn12O5F19
36
1
456.7
mp-2224735
12.612038
13.114699
-1.33268
other
Mg1V5O10
16
1
185.45
mp-2219790
-5.409141
-0.727932
-4.027406
other
Mg1Co4S8
13
1
213.57
mp-780974
12.724063
0.476265
0.243531
other
Fe10O11F9
30
1
344.25
mp-657176
8.548606
1.245501
1.062085
other
Yb4Be4F16
24
1
330.8
mp-759893
12.321101
-0.844663
0.892342
other
Mn12O7F17
36
1
437.22
mp-755093
14.355601
12.843778
-1.311271
other
V8O12F4
24
1
266.34