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-685477
9.269448
10.3944
-3.155782
other
Tc12Bi2O36
50
1
814.7
mp-760314
10.494151
2.248202
-0.19753
other
V6O5F19
30
1
431.78
mp-1234938
11.873163
10.947539
-2.547448
other
Mg1Mo6O16
23
1
337.06
mp-774048
11.494812
1.536246
2.627985
other
Fe8O2F14
24
1
300.75
mp-849545
12.325621
-0.779766
0.918544
other
Mn12O7F17
36
1
438.48
mp-763805
12.141014
11.152775
-1.406027
other
Na7W9O27
43
1
558.42
mp-764159
11.396975
2.957561
1.311294
other
V8O4F20
32
1
396.27
mp-675339
8.790744
10.524701
1.702318
other
La18Ni12O41
71
1
1,058.21
mp-626317
10.399203
3.742015
-4.124038
other
Ca2H32O20
54
1
436.65
mp-1226389
8.367139
2.941264
-1.679197
other
Cr1O3F3
7
1
117.9
mp-1237332
7.036251
5.878606
-3.716758
other
Mg3S1O9
13
1
257
mp-1173730
8.657566
5.116504
-5.447885
other
Na4S2O8
14
1
225.49
mp-690550
8.160128
12.776313
-1.38924
other
Co14Ru4O24
42
1
443.68
mp-652804
11.691198
8.143488
-3.938545
other
Fe8As10O26
44
1
619.9
mp-637062
8.046496
2.087925
-0.781954
other
As6Xe12F54
72
1
1,489.96
mp-626282
10.493709
3.699076
-4.128026
other
Sr2H32O20
54
1
456.7
mp-776246
1.876711
1.759801
2.829147
other
Zr16N16O8
40
1
523.04
mp-759022
5.713959
11.862199
-1.817051
other
Li10Fe10O24
44
1
443.73
mp-1227849
7.815638
7.776271
-4.125617
other
Ca1V4O15
20
1
347.76
mp-754785
10.360641
1.312696
-1.732898
other
Co6O5F7
18
1
195.1
mp-626094
11.7488
4.186099
-3.76201
other
Al8H24O24
56
1
424.64
mp-753664
13.230018
9.08135
-5.99815
other
V4P2O13
19
1
200.64
mp-707409
9.655983
8.574885
-0.130493
other
Ca24Bi36O75
135
1
2,530.43
mp-757603
10.881733
12.400197
2.289486
other
Na13Ti24O54
91
1
1,082.06
mp-671888
2.057437
2.896114
-4.371278
other
Re2Se4Cl24
30
1
857.65
mp-758402
11.706089
10.782059
1.218202
other
La11V12O36
59
1
740.88
mp-1365538
9.481647
13.044998
-0.888855
other
Ca1Fe18O26
45
1
523.34
mp-685513
-2.618494
-2.793305
-5.59471
other
Pr24Mn4S40
68
1
1,593.28
mp-704637
10.999425
11.907324
2.573405
other
Nb12W1O33
46
1
669.73
mp-1272833
11.894024
12.373275
0.263508
other
Li2Cr4O6
12
1
118.18
mp-2241324
8.996688
14.850413
-0.579575
other
Mg1Mn5O8
14
1
170.72
mp-626500
11.595837
4.152761
-3.83336
other
Al2H6O6
14
1
112.22
mp-1192920
-2.692996
-2.662617
-5.49641
other
La8Fe2S14
24
1
597.72
mp-38487
6.998068
11.087251
-1.287701
other
Li7Bi1O6
14
1
133.35
mp-38284
9.576401
8.648404
3.209416
other
Ce8Nd8O28
44
1
686.38
mp-787619
7.598176
4.976763
-1.695868
other
Hf16N16O8
40
1
512.67
mp-754270
12.086546
12.637137
-4.145273
other
V2O3F3
8
1
105.26
mp-625272
11.18735
4.160919
-4.038799
other
Zn6H12O12
30
1
317.92
mp-1247859
-4.042533
-1.391806
-5.41141
other
Ag5Au3S4
12
1
284.47
mp-755763
11.794213
1.352235
2.610139
other
Fe6O2F10
18
1
219.15
mp-640740
13.841672
4.120607
-2.326228
other
Na24B52O90
166
1
1,747.57
mp-626172
10.242871
4.316148
-5.036384
other
H16S4O20
40
1
405.31
mp-773059
9.963785
12.516701
-4.166336
other
V24Cu3O60
87
1
1,117.61
mp-2214551
13.703014
12.240345
-3.278708
other
V4O5F7
16
1
216.94
mp-1227183
10.936391
6.960705
-1.485001
other
Ca5Si6O18
29
1
391.75
mp-2236764
10.031173
12.2183
-4.256879
other
Mg1V28O70
99
1
1,468.45
mp-676990
-5.909694
-3.751462
-1.691258
other
Ba14Al12Te32
58
1
2,108.73
mp-1100952
10.750877
12.850364
-3.591717
other
V16Ag7O40
63
1
806.24
mp-690570
9.758508
9.26193
-0.740896
other
Ni4Bi9O18
31
1
499.33
mp-676935
-6.565452
-2.657557
-1.397466
other
Cr10Sb3Te7
20
1
434.52
mp-626216
10.407353
3.729225
-4.110216
other
Sr1H16O10
27
1
255.38
mp-761126
9.433228
0.797977
-0.6818
other
Cu8O2F12
22
1
259.74
mp-625653
10.258557
3.067034
-3.976368
other
H36Br4O16
56
1
596.62
mp-561374
10.181703
9.328171
-1.942609
other
Ca18Te18O54
90
1
1,591.55
mp-2226542
7.022127
9.45303
-1.694653
other
Mg1Ag4O6
11
1
152.38
mp-755846
5.9666
12.432321
-2.427998
other
Fe6O8F4
18
1
201.31
mp-685315
8.276714
1.95367
-0.630113
other
Ca8As24F120
152
1
2,437.45
mp-777302
2.542777
2.569251
1.107335
other
Sn16N16O8
40
1
534.97
mp-759763
10.609578
7.716178
2.166741
other
La26B8O51
85
1
1,313.08
mp-1353690
8.534931
13.321468
-1.907238
other
Mn10Cr6O32
48
1
563.08
mp-764768
8.314314
12.507442
-0.5091
other
Li7Co2O6
15
1
167.5
mp-1202590
9.737633
7.093112
-2.5821
other
Ca5Si6O22
33
1
478.46
mp-1247878
6.390809
0.382038
-3.42529
other
B40H51F3
94
1
1,150.86
mp-698692
6.223805
11.238609
0.480301
other
Sr12Co10O27
49
1
690.9
mp-1246279
-4.362819
-1.936386
-3.824147
other
Zr7Se8N4
19
1
396.21
mp-779863
1.683641
1.804311
2.922685
other
Hf16N16O8
40
1
502.4
mp-775824
1.878368
1.762399
2.832163
other
Zr16N16O8
40
1
522.76
mp-626070
10.218068
6.069745
-4.401402
other
Fe16H16O32
64
1
715.24
mp-25572
12.734351
11.330617
-1.498343
other
Sc1Mo3O8
12
1
149.73
mp-889388
7.37214
6.102783
-2.086853
other
Mn8O13F3
24
1
248
mp-675821
10.421071
9.611197
3.354636
other
Y6Ta2O14
22
1
309.74
mp-676400
6.46541
5.125448
-4.50962
other
Tl1N1O2
4
1
75.39
mp-694629
12.359386
9.259099
-7.227735
other
V9P12O48
69
1
911.83
mp-859121
10.838058
9.348987
-0.649159
other
Sb16Cl4O21
41
1
805.96
mp-530701
-6.812064
1.328109
-4.230413
other
Ni5Mo24Se32
61
1
1,272.15
mp-685820
-4.721582
-1.122452
-5.210422
other
Sc10Mn17S32
59
1
1,133.63
mp-780759
13.297712
12.139294
-0.415103
other
Na1V13O18
32
1
364.64
mp-756033
13.311598
0.470252
1.450197
other
Fe6O5F7
18
1
211.67
mp-676854
-4.06867
-0.18808
-3.444734
other
Ta14Cu3S24
41
1
737.46
mp-626566
10.714604
12.763176
2.332225
other
Ti6H4O14
24
1
288.4
mp-1262001
12.619013
11.527771
-1.355307
other
Al4Mo4O14
22
1
259.43
mp-676121
-1.904709
0.610168
-5.165062
other
Ag6S2I2
10
1
271.08
mp-1219580
-3.077899
0.618157
-3.380738
other
Re9Mo3Se16
28
1
606.37
mp-1040953
7.011373
13.463816
-1.504907
other
Ca6Co12O24
42
1
513.24
mp-730197
-3.195167
-2.185209
-4.78246
other
Dy14Pb3S24
41
1
898.5
mp-764852
10.514174
2.260187
-0.200814
other
V6O5F19
30
1
428.94
mp-760369
12.954559
-0.916457
0.47841
other
Mn8O8F8
24
1
256.44
mp-1234465
9.327118
13.275836
-0.922713
other
Mg1Fe8O12
21
1
231.75
mp-780495
10.52082
2.259359
-0.19952
other
V6O5F19
30
1
440.45
mp-760021
7.396299
10.122776
0.316173
other
Ca19Cu24O46
89
1
1,157.73
mp-2225278
8.962369
14.838634
-0.546425
other
Mg1Mn2O4
7
1
89.85
mp-765274
6.480485
14.113608
-1.888689
other
Li5Co8O16
29
1
288.34
mp-674436
10.494168
9.917199
4.01595
other
Nd1Zr9O20
30
1
363.31
mp-703272
6.932662
5.30349
-3.862021
other
K5N1O4
10
1
299.52
mp-851257
11.046286
2.866711
1.288778
other
V8O4F20
32
1
431.42
mp-1100888
9.454511
13.262693
-0.898275
other
Zn6Fe48O72
126
1
1,425.93
mp-625883
10.442303
6.283912
-4.232966
other
Fe16H16O32
64
1
698.87
mp-1178774
13.264221
8.52102
-6.612047
other
V2P4O14
20
1
281.22
mp-1180213
6.589641
6.078851
-3.836868
other
Na4Br4O12
20
1
437.19
mp-995234
8.451035
2.396422
-4.972029
other
H14C14O14
42
1
462.07