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-775760
10.292218
1.748475
2.09404
other
Li10Fe10F30
50
2
641.3
mp-1006372
8.553771
6.29356
-5.515399
other
Ag2S2O8
12
2
160.94
mp-1175430
4.293632
19.348186
-1.827883
other
Li9Co7O16
32
2
282.48
mp-1643099
7.016946
19.636768
-0.185311
other
Li14Mn10O24
48
2
440.5
mp-1203378
-4.541425
-5.612446
0.456523
other
Cs14In6As12
32
2
1,314.23
mp-1046037
12.039022
12.128732
0.30037
other
Zn2Cr9O13
24
2
268.75
mp-8190
-3.573811
-1.674864
-5.595737
other
Tl4Si2S6
12
2
325.63
mp-1404822
8.993878
12.190391
-0.501436
other
Mg4Ni4O8
16
2
188.48
mp-1178212
11.199453
11.934946
-0.271869
other
Fe4Sn4O12
20
2
235.96
mp-1213210
8.501089
1.655879
-0.59925
other
Dy4Au10F42
56
2
905.81
mp-1211674
9.289299
2.20712
1.073743
other
Li3P1F6
10
2
165.07
mp-753532
12.820153
10.552332
2.094701
other
Nb4O6F4
14
2
189.61
mp-757160
10.789251
12.911605
-3.596474
other
V6Cu2O15
23
2
278.1
mp-30940
9.943357
9.501649
-1.917123
other
Cd8Te8O28
44
2
595.86
mp-1188389
7.861215
7.277131
-4.032729
other
Ca2Se4O14
20
2
360.31
mp-1306461
3.821075
19.382029
-1.799205
other
Li8Co4O12
24
2
210.54
mp-1215109
8.364743
1.99101
-0.602545
other
Cd1Rh3F6
10
2
428.27
mp-755712
8.030371
9.822721
-0.226931
other
Rb16Fe4O16
36
2
789.39
mp-504117
10.261334
8.216798
-7.048031
other
Mn9P16O56
81
2
1,127.9
mp-21209
10.853098
7.997156
-4.449808
other
Cu3As2O8
13
2
153.14
mp-1228808
-4.39867
-2.631593
-3.943879
other
Bi44Se48Cl36
128
2
3,783.86
mp-17823
-2.766814
-0.701962
-5.415888
other
Tl6B6S20
32
2
721.43
mp-1303588
7.276715
13.19501
-1.661811
other
Cd2Co4O8
14
2
165.34
mp-1180660
7.693776
6.470908
-4.526393
other
Mn2B8O32
42
2
671.49
mp-753945
7.928012
2.79537
-1.425469
other
Cl4O4F12
20
2
282
mp-1232255
-2.771399
-2.574035
-5.68697
other
La8Mg4S16
28
2
821.25
mp-803453
7.600704
5.04791
-1.766719
other
V12P8O32
52
2
629.53
mp-581533
-5.336481
-6.244028
0.768448
other
Cs28In16Bi24
68
2
3,089.47
mp-1247422
2.046972
2.194904
1.536771
other
Zn8Sn2N8
18
2
293.43
mp-1367483
11.936604
11.644399
0.485418
other
Zn4Cr4O8
16
2
210.04
mp-1174288
7.096381
19.51104
-0.169648
other
Li8Mn6O14
28
2
259.14
mp-31230
7.844029
10.140925
-3.674979
other
Tl4Cr4O14
22
2
404.83
mp-762671
8.014972
4.483035
-6.9455
other
Mn4C6O18
28
2
380.37
mp-1042277
7.060533
9.428803
-1.6871
other
Mg2Ag4O8
14
2
195.26
mp-757913
5.992202
13.177587
-1.467877
other
Li8Ni10O20
38
2
334.23
mp-1222981
8.121864
6.169913
-3.092417
other
Li2Sn1O4
7
2
77.79
mp-1220914
-6.016892
-2.32709
-1.135544
other
Nb4Ni10Te12
26
2
551.13
mp-1173050
-5.426241
-2.236249
-1.646355
other
Nb2Si1Te4
7
2
195.52
mp-680482
-1.837086
2.044576
-4.583044
other
Ag2Mo12Br26
40
2
1,198.95
mp-908109
7.890266
4.0863
-1.067297
other
Cu1Mo1F6
8
2
112.86
mp-1101243
14.010613
8.813284
-1.073181
other
V6Si6O20
32
2
391.03
mp-541347
8.511708
1.642903
-0.551441
other
Er4Au10F42
56
2
884.77
mp-1178121
9.206717
13.329386
-1.064022
other
Li2Fe16O24
42
2
465.99
mp-1192123
7.793108
6.733913
-4.208939
other
Ca2As4O16
22
2
315.36
mp-1246269
1.878261
2.444429
0.880774
other
Bi6Pb6N10
22
2
506.03
mp-849302
9.364374
0.911253
-0.390263
other
Li6Fe8F38
52
2
652.58
mp-777836
6.519313
14.67253
-1.700245
other
Li14Co13O28
55
2
458.79
mp-755269
13.18284
13.290196
-1.853307
other
V6O10F2
18
2
193.13
mp-1174494
4.267343
19.129959
-1.852509
other
Li14Co10O24
48
2
417.55
mp-1195966
7.6285
7.858868
-3.926347
other
Zn8As8O40
56
2
784.26
mp-1246271
0.748076
2.8444
1.644922
other
Ni4Mo4N12
20
2
372.2
mp-1188254
-2.724668
-0.559396
-5.171249
other
Cs4S10O2
16
2
543.09
mp-1178447
12.454222
0.966646
2.489909
other
Fe8O4F12
24
2
292.3
mp-1003311
8.700971
14.52842
-0.214652
other
Ca1Mn2O4
7
2
87.61
mp-17941
13.773932
4.111035
-2.301715
other
Na8B16O28
52
2
580.25
mp-887525
7.329706
8.898909
-1.196699
other
Na16Bi10O28
54
2
823.64
mp-1212372
8.726214
1.563315
0.515751
other
Li3Ir1F6
10
2
178.93
mp-1357486
7.817229
5.502702
-1.85729
other
Re8Ni4O24
36
2
396.09
mp-770861
7.194733
12.576926
-1.455912
other
Li32Cr8O36
76
2
678.08
mp-1105176
-0.484739
1.093094
-4.380089
other
Rb2Bi4Br14
20
2
736.17
mp-1374220
7.643819
5.726331
-1.896562
other
Li8Cr2O10
20
2
172.83
mp-1105978
5.771808
5.265968
-4.152939
other
Pt2N6O8
16
2
293.08
mp-998430
-1.246148
3.05541
-2.948663
other
Cs4In4I12
20
2
1,195.92
mp-31268
-0.460576
1.106978
-4.245881
other
Al2Bi2Br12
16
2
560.93
mp-1174276
4.221649
19.350481
-1.854412
other
Li8Co6O14
28
2
246.31
mp-760994
9.720829
9.920942
-0.851104
other
Na6Sb6O18
30
2
426.45
mp-1272149
6.366511
12.788407
-1.290106
other
Na4Ni4O8
16
2
156.25
mp-1210444
6.664894
6.155139
-3.840212
other
Na2Cl2O10
14
2
244.75
mp-1237062
9.04183
1.245681
0.151165
other
Li3Rh1F6
10
2
135.94
mp-1372663
12.060224
11.358528
0.546325
other
Mg4Cr4O8
16
2
208.55
mp-759136
8.238761
14.371764
-1.44256
other
Li2Mn10O20
32
2
358.4
mp-1206167
8.878292
2.688535
1.250175
other
Hf3Mn1F6
10
2
334.74
mp-1245996
0.03087
2.390049
2.175349
other
Ti2Fe8N8
18
2
173.6
mp-1213075
8.676011
1.726278
-0.743314
other
Cu2Pd2F12
16
2
189.01
mp-1029705
0.982363
2.626988
1.698018
other
Na30Cr14N38
82
2
1,174.14
mp-1400332
8.54291
11.930509
-0.729397
other
Zn4Ni4O8
16
2
182.73
mp-638749
-4.567959
-1.534251
-2.744009
other
Te6Pd8Br8
22
2
628.83
mp-1100504
6.773072
20.202017
-0.152114
other
Li9Mn7O16
32
2
301.19
mp-1246507
1.392651
1.894412
1.274771
other
Ba8Ir2N8
18
2
435.28
mp-559442
7.888732
11.279652
0.22091
other
Ba2Ru7O18
27
2
327.09
mp-685395
12.202703
11.171054
-1.282986
other
Li17W19O57
93
2
1,173.71
mp-756988
9.023088
2.511608
1.694315
other
Nb5O1F14
20
2
360.8
mp-777320
10.221747
0.464767
-0.224614
other
Li6Mn8F38
52
2
681.4
mp-1226028
-7.450886
0.86705
5.015048
other
Dy4Fe29Si5
38
2
502.99
mp-996998
7.817998
8.035458
-2.589956
other
H2Au2O4
8
2
93.02
mp-28691
-5.494512
-2.229061
-1.717326
other
Ta2Te8I2
12
2
415.44
mp-675744
7.639634
8.602969
-1.403988
other
Yb8Zr6O24
38
2
508.95
mp-1207765
9.845339
9.470612
1.05295
other
Y4Sb4O16
24
2
299.7
mp-852714
7.626664
5.205121
-1.804608
other
Ge8As8O28
44
2
681.02
mp-1342069
13.455295
6.487935
-7.237303
other
Ti2P4O14
20
2
257.21
mp-4794
11.781395
7.833005
-2.529063
other
Sm4As8O18
30
2
460.18
mp-1199242
7.566755
6.586816
-2.954481
other
Pb4I8O24
36
2
580.34
mp-18827
9.959276
12.008191
-4.046113
other
Al6V6O24
36
2
425.56
mp-772682
10.917921
11.396709
-2.144857
other
Dy4W4O18
26
2
331.24
mp-1100533
7.157754
19.633223
-0.117347
other
Li9Mn7O16
32
2
296.49
mp-757364
9.960013
12.439061
-4.117682
other
Na2V12O30
44
2
552.81
mp-29542
9.182122
8.540927
-0.029701
other
K8Bi4O10
22
2
454.27
mp-1211184
6.366283
5.682669
-4.679775
other
Pr6N8O33
47
2
794.59
mp-1652491
10.582854
2.153915
2.393609
other
Fe8O2F12
22
2
265.09
mp-28431
8.275466
2.273715
-0.922305
other
Sb2I4F12
18
2
367.11