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-1180577
11.162866
6.173305
-3.739112
other
Na6Np2H4O12
24
43
321.5
mp-1221477
13.058908
6.133769
-0.526399
other
Na4Al4Si6O20
34
43
540.2
mp-758253
9.77965
4.641502
-4.219533
other
Ca2H24I4O24
54
43
554.93
mp-23959
12.100189
4.859683
-5.110048
other
K2P2H4O8
16
43
189.44
mp-1199682
12.569773
5.526717
-2.212543
other
Ca4Si4H8O16
32
43
340.22
mp-860893
12.120434
6.954754
-1.80008
other
Li4Fe4Si6O20
34
43
537.36
mp-1196445
6.17666
5.228268
-4.487906
other
K4La2N10O34
50
43
754.35
mp-1190388
-3.747395
-1.35819
-5.724445
other
Na4Ga4Ge2S12
22
43
536.34
mp-765973
8.510923
3.633523
-7.737482
other
Li8Mn4C8O24
44
43
533.82
mp-23667
12.154764
4.846119
-5.195052
other
Rb2P2H4O8
16
43
208
mp-1189227
-2.445183
-0.449665
-5.457451
original
Na2Al2P4S12
20
43
484.62
mp-1191341
8.780337
2.45749
-1.287432
other
Te4H4O6F8
22
43
301.14
mp-1193238
10.699811
4.868502
-4.228721
other
Ag4Te2H8O12
26
43
279.56
mp-1204879
9.46958
7.217994
-3.689934
other
Sr8V4Se12O42
66
43
1,042.99
mp-1568135
8.586508
3.577036
-7.725296
other
Li4Fe2C4O12
22
43
256.91
mp-1199876
10.287588
7.074845
-2.079427
other
K4Al4Si6O24
38
43
616.89
mp-540651
-3.667178
-1.461038
-5.50273
other
Ba8Mn8Sn8S32
56
43
1,580.45
mp-1223579
11.572944
5.851024
-4.196177
other
K2As2H4O8
16
43
223.07
mp-1181584
8.213642
2.656996
-4.619702
other
H16C4N16O8
44
43
393.19
mp-754949
13.521515
7.302958
-0.781036
other
Li8Mn4Si8O24
44
43
530.83
mp-763489
14.698493
8.694979
-3.727868
other
Li2V2P2O8
14
43
153.68
mp-757129
8.567762
3.610722
-7.715804
other
Li4Fe2C4O12
22
43
243.02
mp-1181787
7.941955
4.879254
-6.08592
other
Fe4C8Cl4O18
34
43
767.8
mp-1261497
13.646676
7.568431
-0.756058
other
Li4Cr2Si4O12
22
43
262.28
mp-556243
13.288979
8.900004
-7.023711
other
Ca2V4P4O20
30
43
345.66
mp-753286
8.233274
3.909622
-7.191141
other
Li4Co2C4O12
22
43
250
mp-647900
-3.343173
-1.203573
-5.342734
other
Tl4As12Pb4S24
44
43
1,142.34
mp-554782
-3.791491
-1.395252
-5.79945
other
Li4Ga4Ge2S12
22
43
489.3
mp-1043831
13.105025
9.036018
-6.729476
other
V4Zn2P4O20
30
43
330.38
mp-762082
7.672782
4.315661
-4.573743
other
Th2H20N8O34
64
43
680.53
mp-753221
8.16608
4.02912
-7.088755
other
Li8Ni4C8O24
44
43
473.63
mp-1221522
9.67776
7.478808
-2.209407
other
Na4Al4Ge6O24
38
43
617.61
mp-12306
-3.483925
-1.626758
-5.536657
other
Ba8Cd8Sn8S32
56
43
1,606.09
mp-1204609
9.75552
7.036994
-2.708652
other
Na4Al4Si6O28
42
43
580.08
mp-1182594
7.776264
4.863999
-4.526936
other
Cd2H16N4O20
42
43
511.55
mp-753193
13.645254
7.590916
-0.746542
other
Li4Cr2Si4O12
22
43
265.76
mp-1043490
12.386442
6.905934
-5.401702
other
Zn2Bi4P4O20
30
43
446.8
mp-1211943
7.593877
6.632946
-2.929593
other
K6In2I12O36
56
43
972.39
mp-864664
10.701827
6.484076
-3.95889
other
Na6Np2H4O12
24
43
316.34
mp-1043579
12.890842
7.183487
-5.906151
other
Zn2Sb4P4O20
30
43
403.02
mp-1221747
-5.349855
-2.656908
-4.176275
other
Mn2Ga4Cu6Se12
24
43
527.45
mp-757685
12.182063
6.946918
-1.47931
other
Li4Cu2Si4O12
22
43
254.09
mp-1210128
-2.588319
-0.253693
-5.485808
other
Na2Cr2P4S12
20
43
482.49
mp-1201495
12.925685
6.231263
-0.38746
other
Cs4Al4Si6O20
34
43
599.45
mp-558460
6.440585
5.128115
-4.539917
other
Na2Ag2N4O8
16
43
217.07
mp-1205211
6.555052
6.967276
-3.723053
other
Cd4Ni2Cl12O24
42
43
818.97
mp-1226173
8.42773
10.214961
-0.181267
other
Cs4Na20Fe8O24
56
43
882.87
mp-1194838
-3.814876
-1.365151
-5.763544
other
Ga8Sn4Ge4S24
40
43
1,001.21
mp-1043492
12.930372
6.558516
-6.848794
other
Zn2Sn4P4O20
30
43
365.33
mp-1220029
10.818071
3.258682
-4.513415
other
P2H12N2O8
24
43
219.38
mp-1194889
8.705646
5.771065
-5.857107
other
Mg2Au4S8O32
46
43
665.08
mp-1205059
6.282403
5.777735
-4.038041
other
Mg2Cd4Cl12O24
42
43
1,025.39
mp-1194797
9.869561
5.334787
-4.475172
other
Na8H12Se4O22
46
43
545.1
mp-1194908
7.92977
2.704526
-2.284537
other
Ge2H4C8F20
34
43
562.06
mp-553926
13.830337
4.172077
-2.356767
other
Na4Li4B16O28
52
43
501.73
mp-1203641
9.469513
7.235125
-3.637328
other
V4Pb8Se12O42
66
43
1,065.16
mp-560667
13.053725
6.063261
-6.606885
other
Cs8Li8P16O48
80
43
1,280.68
mp-729170
14.329254
7.778852
-6.931532
other
Li2Mn8P6O24
40
43
456.48
mp-1204333
-4.675734
-3.044734
-3.694592
other
Ba8Mn8Sn8Se32
56
43
1,798.29
mp-557159
13.009478
9.110879
-6.875872
other
V4Cd2P4O20
30
43
342.53
mp-1227629
12.325537
10.794552
0.295439
other
Ca4Pr8Mo12O42
66
43
894.28
mp-753634
13.774751
7.591575
-0.840635
other
Li8Fe4Si8O24
44
43
524.13
mp-1196176
6.174526
5.224345
-4.516596
other
K4Pr2N10O34
50
43
765.62
mp-752774
12.5092
7.421112
-7.347331
other
Li2Ni2P2O8
14
43
145.2
mp-1200580
8.496596
2.380146
-4.572109
other
H28C4N16O10
58
43
570.65
mp-1178034
8.670416
3.647126
-7.720802
other
Li4Cr2C4O12
22
43
261.84
mp-1044100
14.08114
8.917962
-3.936222
other
Zn2P4W4O20
30
43
391.95
mp-1202442
9.596449
7.018656
-2.802225
other
Na4Al4Si6O28
42
43
602.99
mp-1043414
14.086032
6.775591
-6.518952
other
Mg2Ti4P4O20
30
43
337.32
mp-1571048
8.909907
3.424022
-7.671139
other
Li8V4C8O24
44
43
523.98
mp-1043800
13.306293
9.063961
-6.779794
other
Mg2V4P4O20
30
43
330.1
mp-863428
13.726438
7.612134
-0.833672
other
Li12Fe6Si12O36
66
43
811.77
mp-754838
8.632487
3.681319
-7.603124
other
Li4Cr2C4O12
22
43
249.37
mp-1196701
9.317297
7.207741
-2.890328
other
Na4Al4Si6O28
42
43
571.83
mp-1214557
13.637398
7.989574
-0.712516
other
Ca8Si12W6O38
64
43
954.86
mp-1044052
13.829532
9.034598
-4.720829
other
Mg2Mo4P4O20
30
43
358.08
mp-27041
14.791264
7.915013
-5.754934
original
Li2Cr2P2O8
14
43
152.83
mp-1181376
8.335491
1.434545
-4.426485
other
H16C6N4O2
28
43
258.37
mp-542332
8.476694
3.741531
-6.978529
other
K4Cu2C4O12
22
43
305.97
mp-1196695
10.077193
7.167454
-2.06568
other
Na4Al4Si6O24
38
43
567.35
mp-556013
12.839057
6.32434
-0.762855
other
Na12Be6Si12O36
66
43
791.15
mp-1181359
6.113258
5.712443
-3.910586
other
Mg2Cd4Cl12O24
42
43
1,047.74
mp-1204421
9.540512
6.045729
-4.418637
other
Na8Cr4H12O22
46
43
536.57
mp-1043451
13.901078
6.696496
-6.783905
other
Ti4Zn2P4O20
30
43
340.25
mp-759160
11.692847
7.625475
-2.183436
other
Li12Fe12Si6O36
66
43
834.7
mp-1195001
10.605161
10.742363
-3.792212
other
Na10Li2Mo18O60
90
43
1,287.8
mp-556379
9.504153
1.994141
0.945184
other
Ba4V4O4F16
28
43
425.4
mp-975622
12.914347
6.273062
-0.372817
other
Rb4Al4Si6O20
34
43
548.69
mp-1043585
9.82046
7.601495
-5.31213
other
Ca2Bi4P4O20
30
43
432.79
mp-1182799
11.557473
5.161215
-3.300995
other
Ca4Si4H8O16
32
43
407.95
mp-554828
11.956122
6.805737
-0.799409
other
Na12Be6Ge12O36
66
43
820.79
mp-1203923
13.31758
4.390473
-2.717548
other
Cu6B12H4O26
48
43
387.43
mp-753950
8.246868
3.863629
-7.288666
other
Li4Co2C4O12
22
43
251.69
mp-644330
8.694361
1.412641
-4.37947
other
H16C6N4O2
28
43
158.9
mp-1193557
9.110073
1.990222
-4.546843
other
H12C4S2O8
26
43
367.34
mp-697027
12.65741
5.408676
-2.20003
other
Na4Si8H12O24
48
43
538.45
mp-1198357
7.864364
8.068971
-3.551252
other
Ba6Mo4I4O36
50
43
798.74
mp-1196415
9.982444
7.211926
-2.156451
other
Li4Al4Si6O24
38
43
531.44
mp-567491
-4.074961
-2.339931
-3.499136
other
Rb8Ti4P12Se50
74
43
2,480.61
mp-1043566
13.261379
6.19151
-6.858998
other
Ca2Sn4P4O20
30
43
378.71