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-1364489
-5.937671
-3.778907
-1.813874
other
Yb3Bi14Te24
41
1
1,372.08
mp-1173646
11.23536
10.723644
0.596589
other
Nd16Re22O76
114
1
1,456.82
mp-1100995
-4.680779
-1.699509
-5.760472
other
Tl1Cu7S4
12
1
198.5
mp-761014
12.821699
-1.149767
0.726718
other
Mn12O10F14
36
1
421.61
mp-1282757
15.148845
12.566439
-0.836937
other
V6O8F4
18
1
202.38
mp-1348082
-5.057438
0.963984
-4.821945
other
Ta1Mo4S10
15
1
288.39
mp-706836
11.645829
12.374223
0.85404
other
Mn27Nb13O60
100
1
1,190.31
mp-1389901
7.552324
5.201997
-1.854209
other
V4O7F5
16
1
209.15
mp-676694
10.672741
12.108192
2.459549
other
Li12Nb12O36
60
1
669.9
mp-766279
10.019357
8.387621
3.186874
other
Dy11Y5O24
40
1
595.17
mp-781604
14.179957
11.957583
-2.178598
other
V6O6F12
24
1
294.82
mp-752599
7.91695
10.45013
2.067957
other
La8Ni4O17
29
1
384.04
mp-776981
12.239448
-0.899421
0.921054
other
Mn12O7F17
36
1
443.48
mp-1173580
-1.998407
0.693484
-3.82825
other
Re12Se8Br20
40
1
1,740.69
mp-675380
-4.09664
-0.054416
-3.744217
other
Nb15Ir1S32
48
1
987.74
mp-2228354
10.815509
13.251959
-3.59403
other
Mg1V5O12
18
1
200.14
mp-759581
10.181662
0.64558
-0.481355
other
Co6O1F11
18
1
213.7
mp-1179365
10.474678
3.726903
-4.120462
other
Sr2H32O20
54
1
449.44
mp-626735
10.700085
3.944857
-3.80125
other
Ba2H8O6
16
1
182.83
mp-757103
11.480335
12.780251
0.230921
other
Ti7Fe9O24
40
1
430.54
mp-2216699
11.06568
7.82872
-6.938187
other
Fe4P4O16
24
1
401.75
mp-1180115
12.930355
6.675287
-1.125866
other
Na8Si7O18
33
1
522.89
mp-1223529
-4.700872
-1.720321
-5.693199
other
K1Cu7S4
12
1
196.52
mp-754511
10.548403
0.947778
-1.347436
other
Co6O4F8
18
1
202.15
mp-1179509
13.477077
7.489188
-1.268856
other
Si20H20O30
70
1
957.9
mp-850830
12.743358
-0.039781
-0.035921
other
Mn12O14F10
36
1
401.74
mp-685511
8.40971
2.031783
-0.450379
other
Ti14O7F60
81
1
1,320.7
mp-758033
9.992526
8.359361
3.144879
other
Y13Ho19O48
80
1
1,209.09
mp-1176883
5.371115
10.116046
-2.17994
other
Li7Fe5O16
28
1
281.73
mp-1245256
9.551497
12.807249
-1.60188
other
Cr8Fe24O48
80
1
1,055.89
mp-1173540
-4.094997
-4.215595
-3.670944
other
Sm31Cu3Se48
82
1
2,070.79
mp-777608
15.083034
12.487454
-0.792276
other
V6O7F5
18
1
204.63
mp-762980
9.973465
11.988054
-4.655086
other
V6O12F6
24
1
314.64
mp-627043
10.665257
4.057651
-3.519032
other
Ba8H16O16
40
1
525.5
mp-776362
1.879701
1.764311
2.830204
other
Zr16N16O8
40
1
522.7
mp-757766
9.596579
8.587976
-0.542598
other
Fe1Bi25O39
65
1
1,107.95
mp-778479
11.807404
-0.527178
1.177197
other
Mn12O5F19
36
1
453.76
mp-1206699
-3.060103
-3.616412
0.873111
other
Si4P4Os1
9
1
151.51
mp-849451
10.239089
2.443679
0.08069
other
V6O2F22
30
1
416.17
mp-1235333
11.059462
12.521093
1.924163
other
Li1Ti8O16
25
1
268.6
mp-753925
11.111836
11.975505
2.154792
other
Nb8V2O24
34
1
454.45
mp-1200545
3.41614
-0.646107
-2.304331
other
Li12Be6H24
42
1
382.5
mp-807511
7.765522
4.784101
-1.60116
other
Cr4O3F9
16
1
196.42
mp-761274
6.406298
12.946799
-2.810843
other
Co6O8F4
18
1
186.8
mp-1224610
-2.838136
-2.438185
-5.895562
other
Ho12Ge5S28
45
1
960.75
mp-626800
9.990465
5.207167
-4.07894
other
Re2H6O10
18
1
210.1
mp-37436
9.700313
11.851425
0.022561
other
Li7Sb1O6
14
1
124.79
mp-676339
10.875124
11.556248
3.073299
other
Ba6Ta12O36
54
1
1,160.71
mp-778865
12.198396
3.140623
1.017906
other
V8O6F18
32
1
395.3
mp-1238781
10.49372
8.277313
2.450353
other
La4Al2O9
15
1
267.44
mp-754461
10.934219
2.820591
1.493669
other
V4O1F11
16
1
196.82
mp-759775
7.960154
17.59149
-0.214195
other
Li16Mn18O36
70
1
692.36
mp-1225287
5.900818
11.62778
-2.216034
other
Fe4Si1O9
14
1
184.35
mp-696871
10.87097
8.405147
2.192709
other
La2Al2O6
10
1
123.71
mp-938238
-4.192336
-2.474072
-2.694392
other
Mg3Mo12Se16
31
1
667.87
mp-2230020
6.562432
13.475569
-2.055379
other
Mg1Co7O12
20
1
209.42
mp-1217790
-5.217596
1.43891
-4.340658
other
Ta1Mo4S10
15
1
283.09
mp-1182631
7.209116
6.125579
-4.508914
other
Cd6S6O40
52
1
962.55
mp-753258
8.446964
11.780627
-2.379871
other
Li6Cr2O8
16
1
187.5
mp-675693
9.308998
8.882161
0.274923
other
Na16Cd8O16
40
1
608.49
mp-1640280
6.878884
13.146839
-2.213839
other
Co6Sb2O16
24
1
264.48
mp-1223388
8.230015
11.47332
0.351008
other
Na11Ru16O36
63
1
736.58
mp-36577
-3.141255
-1.227258
-5.139261
original
Sr1As2S4
7
1
196.22
mp-806072
7.875969
5.264195
-1.757348
other
V4Cr4O12
20
1
210.22
mp-1224521
-2.86316
-2.436091
-5.999048
other
Ho12Si5S28
45
1
943.42
mp-1178344
12.717359
0.461099
0.239597
other
Fe10O11F9
30
1
342.9
mp-34578
8.540743
1.337121
1.905733
other
Ba8Y6F34
48
1
721.01
mp-756429
10.480226
0.655228
-0.693871
other
Co6O2F10
18
1
209.63
mp-1373349
12.841981
12.324209
-0.893006
other
V4Zn4O8
16
1
213.02
mp-627684
10.324401
7.967353
-4.843246
other
V4H4O12
20
1
282.66
mp-1387028
12.837067
10.925299
-0.815844
other
Mg2Mo4O10
16
1
205.71
mp-1260352
7.447299
11.575709
-1.836122
other
Al10Ni6O24
40
1
394.95
mp-730333
7.693908
5.154171
-1.797478
other
Na8Ta8O24
40
1
581.74
mp-626654
11.719762
4.169212
-3.845254
other
Al8H24O24
56
1
417.55
mp-778791
11.473201
1.543695
2.623891
other
Fe8O2F14
24
1
300.8
mp-728623
10.429508
9.334496
-1.989381
other
Gd4Te8O22
34
1
522.52
mp-1228140
7.8126
4.635066
-5.910839
other
Ce4C10O31
45
1
653.96
mp-780061
1.670006
1.804791
2.963056
other
Hf16N16O8
40
1
501.93
mp-759449
9.229685
0.674835
0.744335
other
Li12Ag8F20
40
1
549.44
mp-1639950
9.484767
14.680842
-0.05376
other
Li4Mn8O12
24
1
246.4
mp-779613
5.422531
12.255981
-2.456409
other
Fe10O14F6
30
1
332.9
mp-1079609
13.770482
4.413538
-2.420147
other
Bi1B3O6
10
1
118.25
mp-1181604
10.429696
6.282306
-4.213595
other
Fe4H4O8
16
1
173.44
mp-754244
12.118971
12.662608
-4.09746
other
V4O6F6
16
1
209.09
mp-1247897
3.113028
3.084216
-4.003992
other
B3N3Cl12
18
1
914.72
mp-849449
8.604082
15.188607
-1.604644
other
Mn8O13F3
24
1
249.21
mp-851575
10.029301
4.937259
-3.066125
other
Ag8B32O52
92
1
999.27
mp-782725
12.882545
-0.865174
0.355504
other
Mn8O8F8
24
1
270.01
mp-625762
11.608547
4.158816
-3.893808
other
Al8H24O24
56
1
435.95
mp-752996
12.88756
-0.819546
0.331741
other
Mn8O8F8
24
1
271.75
mp-779982
1.675312
1.804798
2.949827
other
Hf16N16O8
40
1
502.26
mp-675353
-5.932874
-3.743989
-1.77686
other
Sm3Bi14Te24
41
1
1,360.18
mp-625455
10.574837
3.566203
-4.052927
other
Na2H18O10
30
1
290.18
mp-779615
5.42948
12.252026
-2.461903
other
Fe10O14F6
30
1
332.38
mp-757712
5.903914
11.039723
0.14747
other
Ba12Fe12O33
57
1
825.36
mp-1178349
12.719944
0.484303
0.239623
other
Fe10O11F9
30
1
343.59
mp-676330
-0.4444
0.636223
-3.794947
other
Nb12Br17F13
42
1
997.36
mp-675392
10.154046
13.22648
-0.614037
other
Ti6Fe14O30
50
1
539.76
mp-758099
6.681087
11.809994
-1.340486
other
Li15Fe2O12
29
1
256.18
mp-779738
1.677734
1.80582
2.945373
other
Hf16N16O8
40
1
502.27