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-753016
13.360713
13.075421
-1.783609
other
V3O5F1
9
1
105.73
mp-1178259
5.975701
13.050645
-2.574488
other
Fe4Co12O32
48
1
531.97
mp-1236378
7.594206
12.377734
-1.210859
other
Li1Ni9O13
23
1
224.75
mp-1276416
8.929138
12.29031
-1.361242
other
Mn4Sb4O16
24
1
312.73
mp-752485
6.695747
12.692831
-2.922701
other
Co6O7F5
18
1
187.35
mp-765586
12.833999
10.924357
1.73919
other
Ti15V1O24
40
1
414.39
mp-766557
12.069941
-0.748956
1.062434
other
Mn10O5F15
30
1
376.02
mp-674326
1.260695
2.069852
-5.052393
other
K20Nb10Cl30
60
1
2,258.73
mp-1228496
10.479938
12.005295
2.548383
other
Ba4Ti11O26
41
1
550.5
mp-759307
10.761002
11.813739
2.635481
other
Ti6Nb12O42
60
1
835.83
mp-799431
9.355155
5.169787
-1.164168
other
V4O4F4
12
1
130.97
mp-675757
11.587465
7.983853
-2.922204
other
Ba2As6O11
19
1
346.5
mp-764882
7.437195
7.695271
-1.741685
other
Fe8O10F6
24
1
269.45
mp-781602
8.597994
15.194076
-1.617619
other
Mn8O13F3
24
1
248.4
mp-627314
13.330391
7.757558
-1.304351
other
Si20H20O30
70
1
875.85
mp-676519
12.011859
10.334963
2.512061
other
Sr6Nb7O21
34
1
472.08
mp-705778
8.460818
14.21242
-1.353923
other
Mn12Ag16O32
60
1
763.25
mp-787808
7.611431
4.958191
-1.745928
other
Ti16N16O8
40
1
427.75
mp-771746
-7.553272
-0.833346
2.989958
other
Cr22Ni80Mo18
120
1
1,370.46
mp-780875
8.618032
15.178633
-1.642179
other
Mn8O13F3
24
1
249.67
mp-779298
8.606629
15.181108
-1.641378
other
Mn8O13F3
24
1
246.85
mp-777881
12.748468
0.473354
0.26327
other
Fe10O11F9
30
1
344.27
mp-626435
11.682927
4.175349
-3.851275
other
Al4H12O12
28
1
216.44
mp-752809
15.092304
12.485003
-0.78856
other
V6O7F5
18
1
204.7
mp-755281
12.391519
12.710191
-0.597756
original
V4Cr4O12
20
1
198.98
mp-1280477
5.769349
10.145407
-1.85795
other
Na16Fe4O20
40
1
513.09
mp-698670
5.677352
11.08875
-0.189364
other
Sr14Fe14O39
67
1
848.9
mp-758645
6.335732
14.132181
-1.936554
other
Li9Co13O28
50
1
460.9
mp-1333995
-5.51575
-0.728566
-4.213298
other
Fe12Ni18S40
70
1
1,033.73
mp-1104831
7.219273
8.695769
-2.445735
other
K4Pd2O8
14
1
259.1
mp-1176464
12.794576
-1.113984
0.689695
other
Mn12O10F14
36
1
423.43
mp-1211244
6.884375
5.908043
-3.815482
other
Mg3S1O9
13
1
266.69
mp-1226179
-7.013547
-0.935292
3.306437
other
Co12Si4Ge8
24
1
286.4
mp-1048350
7.977852
10.921614
-0.416027
other
Zn4Cu4O8
16
1
195.06
mp-530885
8.505604
1.489154
1.207044
other
Rb16Sn16F47
79
1
1,647.74
mp-676687
-1.249845
2.895963
-3.048434
other
Rb4Ag16I20
40
1
1,639.33
mp-752784
12.812029
-0.749953
0.267834
other
Mn8O8F8
24
1
277.15
mp-760358
10.923656
2.822879
1.484833
other
V8O2F22
32
1
393.71
mp-685403
-4.85647
0.355094
-4.797503
other
Tl3V24S32
59
1
1,086.8
mp-676089
-5.684984
-1.794424
-2.891873
other
Fe2Co1Se4
7
1
115.08
mp-1219562
10.728084
9.258276
-0.654611
other
Sb8I2O11
21
1
435.9
mp-767137
-3.584421
-1.391391
-5.178181
other
Li3Sb17S27
47
1
1,160.43
mp-1225011
10.669146
8.101995
-7.200212
other
Fe6P6O24
36
1
419.26
mp-775389
5.08972
10.982203
-2.374488
other
Fe10O19F1
30
1
315.95
mp-868005
8.466652
13.503491
-0.931023
other
Ga8Fe8O24
40
1
436.14
mp-1173856
11.956573
10.760702
-2.741119
other
Na3Mo18O52
73
1
1,130.37
mp-761093
9.568794
12.943738
-0.518255
other
Na12Fe20O32
64
1
686.34
mp-685632
11.371158
8.766463
2.071334
other
Ba7U7O24
38
1
674.84
mp-1305869
15.127903
12.563104
-0.862951
other
V6O8F4
18
1
202.02
mp-531409
10.477123
12.017468
2.489541
other
Li14Nb16O48
78
1
897.98
mp-531459
12.524895
7.517338
0.527033
other
Mg14Al28O56
98
1
948.34
mp-779344
12.296629
-0.869208
0.94856
other
Mn12O7F17
36
1
436.35
mp-763216
9.92327
14.967721
-1.434855
other
Mn6O8F4
18
1
195.52
mp-770779
12.39555
12.693069
-0.59438
other
V4Cr4O12
20
1
199
mp-662523
10.099083
9.276076
-1.832985
other
Sr6Te6O18
30
1
632.33
mp-675061
10.475561
9.886868
3.22658
other
Sr24Ta8O43
75
1
1,241.13
mp-1335117
-3.986069
-4.139885
-3.678097
other
La24Yb4Se40
68
1
1,866.12
mp-804269
7.916591
4.393311
-1.239108
other
V6O3F15
24
1
322.68
mp-1196419
10.419564
9.682345
0.688481
other
Ta6Bi14O36
56
1
838.96
mp-752503
10.566794
9.928866
4.000624
other
Ce1Zr7O16
24
1
302.7
mp-530428
6.139335
11.370733
0.107542
other
Sr18Ni14O42
74
1
957.78
mp-675590
-4.741733
-1.472461
-5.685014
other
Cu6Bi1S6
13
1
250.94
mp-755126
8.393827
14.657864
-1.743539
other
Mn6O11F1
18
1
180.79
mp-759137
11.816977
-0.544295
1.171546
other
Mn12O5F19
36
1
451.51
mp-1224536
-3.891831
-1.409626
-5.810236
other
In6Sn8S19
33
1
771.82
mp-800320
7.570828
4.820148
-1.666175
other
V4O7F5
16
1
206.52
mp-676524
-5.936643
-3.683347
-1.671951
other
Tb7Cu3Te12
22
1
691.61
mp-532016
12.194594
7.374914
1.004839
other
Ca12Al14O33
59
1
881.63
mp-766452
9.638746
8.463771
3.00747
other
La9Er1O15
25
1
410.05
mp-787816
7.619441
5.001465
-1.751245
other
Zr16N16O8
40
1
538.46
mp-1100818
6.544977
8.625537
-2.492006
other
Zr4Pb4O20
28
1
403.54
mp-1182529
8.694913
9.868599
-1.284087
other
Na4C1O4
9
1
151.63
mp-532403
8.199932
13.341365
-1.080807
other
Zn10Fe20O40
70
1
758.15
mp-764009
12.758874
-0.169364
0.010491
other
Mn6O7F5
18
1
202.89
mp-1047025
9.850187
8.681388
-0.373121
other
Zn6Bi12O24
42
1
674.02
mp-758803
5.877323
13.015004
-1.502871
other
Li6Ni10O20
36
1
335.73
mp-758784
11.256642
9.578911
3.486803
other
Y1Zr4O9
14
1
177.76
mp-850285
9.5109
0.934085
-0.366119
other
Ni6O1F11
18
1
205.74
mp-1101047
7.283326
5.856141
-4.009453
other
Ti2Cd2O6
10
1
277.94
mp-754536
13.363745
0.433177
1.192812
other
Fe10O9F11
30
1
351.04
mp-1045231
12.806668
10.349375
0.190254
other
Ca1W4O8
13
1
171.63
mp-686673
-5.520128
-2.952335
2.108047
other
Ba2Hf24As36
62
1
1,492.19
mp-997523
11.392728
11.271243
-2.412174
other
K5W15O45
65
1
951.78
mp-676683
1.412941
2.406395
-5.311301
other
Li20Fe10Cl40
70
1
1,407.99
mp-531661
10.00411
10.854184
3.2857
other
Nd10Ti12O39
61
1
817.71
mp-1177791
9.812952
1.803382
0.706225
other
Li12V6F36
54
1
670.56
mp-755181
13.808296
12.2264
-3.364466
other
V4O5F7
16
1
195.07
mp-849519
12.817036
-1.147811
0.717677
other
Mn12O10F14
36
1
422.72
mp-676050
8.715701
3.757308
-4.514353
other
H8N3O6
17
1
161.37
mp-1181667
9.057158
5.090632
-4.089522
other
H20I4O24
48
1
481.82
mp-792780
8.327655
1.092873
1.768238
other
Ba10Y6F38
54
1
1,047.66
mp-760220
13.182728
12.654432
-0.766364
other
Ti1V15O24
40
1
430.57
mp-673602
7.775774
5.035721
-1.725805
other
Al8H24O24
56
1
419.3
mp-685224
-2.880092
-2.527925
-5.505041
other
Sc22Fe7S40
69
1
1,427.43
mp-755997
11.722656
0.81306
-0.178069
other
Fe6O7F5
18
1
207.23
mp-755430
10.463141
0.658397
-0.698098
other
Co6O2F10
18
1
209.72
mp-530910
-4.009445
-4.147169
-3.657329
other
La24Yb4Se40
68
1
1,866.12
mp-1311873
7.994241
17.487261
-0.069934
other
Li8Mn8O16
32
1
301.01
mp-758751
5.890584
13.035819
-1.479987
other
Li10Ni16O32
58
1
545.72
mp-1244905
10.233068
12.743143
-1.360712
other
Cr16Fe16O48
80
1
1,005.42