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-777574
12.833447
0.846879
2.19172
other
Fe10O6F14
30
6
355.89
mp-1217155
-3.851857
-0.18269
-4.446649
other
Ti4S8N1
13
6
295.43
mp-758500
13.294401
0.428678
0.863454
other
Fe6O6F6
18
6
207.21
mp-625172
7.922145
5.143627
-3.807181
other
H12Cl4O20
36
6
378.23
mp-1178468
12.494593
1.03342
2.519385
other
Fe10O5F15
30
6
365.54
mp-752991
13.222086
0.383762
0.891895
other
Fe6O6F6
18
6
211.59
mp-849306
13.395034
0.400834
1.233186
other
Fe10O9F11
30
6
351.93
mp-758738
13.282084
0.385247
0.907862
other
Fe12O12F12
36
6
418.62
mp-1220044
-6.072126
-2.113802
1.26565
other
Sm30P52Ir65
147
6
2,508.24
mp-1224598
-6.002044
-0.896267
3.308735
other
Ge4Mo9W3
16
6
247
mp-759436
13.279732
0.373769
0.895583
other
Fe18O18F18
54
6
624.89
mp-780732
10.184866
1.582391
-2.028815
other
Co6O6F6
18
6
192.29
mp-1227658
-6.61243
-7.166218
3.193093
other
Ba1Sr3Ag4
8
6
265.65
mp-1225250
-8.220805
-2.592191
4.402159
other
Er6Al15Ni15
36
6
537.4
mp-1224703
-5.608279
-0.81128
-3.871742
other
Fe2As1S3
6
6
86.32
mp-1226111
-6.551507
-0.504596
1.829911
other
Co7Ni1P4
12
6
124.74
mp-1224739
-8.167961
-5.417598
5.945533
other
Gd1Dy3Ni4
8
6
157.67
mp-773027
10.45891
12.87898
-3.75696
other
Li5V18O44
67
6
803.18
mp-1097708
-7.561121
0.425449
3.770139
other
Fe65B6N6
77
6
903.39
mp-764510
13.285259
0.391419
0.910089
other
Fe18O18F18
54
6
626.56
mp-1226398
-5.916296
-1.243279
1.73829
other
Cr8Co4P12
24
6
288.26
mp-849419
13.351812
0.437336
1.203453
other
Fe10O9F11
30
6
352.28
mp-1225013
-5.793981
-1.549213
2.041673
original
Fe1Mo3As4
8
6
128.82
mp-1094068
9.910309
8.447121
3.223037
other
Sr1Er2O4
7
6
152.73
mp-1223993
-4.738595
0.198482
-4.847904
other
K1V2S4
7
6
155.84
mp-759497
13.280332
0.389628
0.892726
other
Fe12O12F12
36
6
416.28
mp-2219269
5.756694
12.046378
-1.845206
other
Mg1Fe4O8
13
6
145.16
mp-777319
13.278784
0.373395
0.857022
other
Fe18O18F18
54
6
618.4
mp-1192682
4.886114
-0.244483
-2.638434
other
Ca4B8H16
28
6
231.14
mp-1219679
0.935274
1.403322
-4.502012
other
Pr2Br2Cl4
8
6
221.62
mp-759027
13.265683
0.382319
0.901162
other
Fe12O12F12
36
6
420.52
mp-849314
13.382362
0.409235
1.199924
other
Fe10O9F11
30
6
351.13
mp-777456
12.723354
0.485959
0.251005
other
Fe10O11F9
30
6
344.03
mp-625996
10.863507
4.384182
-3.858464
other
Na2H2O2
6
6
68.48
mp-758159
13.198635
0.348716
0.875835
other
Fe12O12F12
36
6
422.35
mp-2218857
12.534581
11.591422
1.874246
other
Mg1Ti4O8
13
6
145.86
mp-758059
9.425929
8.132128
-0.74953
other
Ba7Pb17O24
48
6
1,064
mp-780328
5.221643
11.776609
-2.380926
other
Fe10O16F4
30
6
325.58
mp-998415
-0.557082
1.532215
-4.804869
other
Cs1Se1Br3
5
6
172.35
mp-2224808
10.778088
13.063582
-3.59642
other
Mg1V4O10
15
6
181.57
mp-1224418
-4.292555
-1.398067
-3.599794
other
Hf2Se3S3
8
6
188.88
mp-754176
10.464803
8.629871
2.931921
other
Ce3Th3O11
17
6
261.55
mp-1216513
-6.408471
-0.953274
3.703831
other
V9Ga4Fe3
16
6
207.52
mp-758379
10.774658
9.629826
3.155958
other
Y11Ta5O28
44
6
586.16
mp-1225795
-4.48677
-1.29744
-5.451774
other
Cu3As1S4
8
6
155.19
mp-1215613
-7.97366
-5.289914
3.576952
other
Yb7Mg1Pt4
12
6
287.58
mp-676586
-4.770726
0.190213
-4.905546
other
Na1V2S4
7
6
139.39
mp-754831
13.263742
0.432276
0.845276
other
Fe6O6F6
18
6
208.54
mp-1225204
-5.620661
-0.862631
-3.496229
other
Fe6Se8S4
18
6
281.56
mp-1228856
-7.46899
-4.024981
1.427514
other
Al3P3Pd12
18
6
258.54
mp-771149
6.898417
12.189704
-1.332682
other
Li16Co4O16
36
6
398.9
mp-1217193
-6.056376
-0.425902
2.299776
other
Ti3Fe5P4
12
6
143.61
mp-2232162
12.192915
11.181945
2.278275
other
Mg1Nb4O10
15
6
215.81
mp-1226478
-5.460968
0.37611
3.175089
other
Cr8B12Os4
24
6
216.2
mp-761140
10.750637
12.441025
2.287854
other
Na4Ti7O16
27
6
319
mp-778217
5.7195
12.633805
-2.568843
other
Fe4Co6O20
30
6
343.25
mp-759395
13.277065
0.40907
0.899751
other
Fe12O12F12
36
6
419.7
mp-759660
13.252016
0.361954
0.880458
other
Fe18O18F18
54
6
626.68
mp-756219
10.226315
1.770675
-2.216683
other
Co8O8F8
24
6
234.41
mp-1227862
-3.198049
-1.839036
-5.605319
other
Ba4Sn8S12
24
6
673.76
mp-760786
9.360137
0.82479
-0.401951
other
Li4Cu6F22
32
6
412.44
mp-1220663
-4.781464
-0.763399
-3.209051
other
Nb3Mo1Se8
12
6
275.79
mp-1220642
-4.646882
-1.230938
-3.119439
other
Nb5Cr3Se20
28
6
644.2
mp-1220791
-8.859136
-6.432396
4.825807
other
Nd14Zn43Sn3
60
6
1,199.87
mp-765134
13.233856
0.349694
0.859137
other
Fe18O18F18
54
6
623.43
mp-2216842
12.508352
13.62326
-1.648322
other
Mg1V8O16
25
6
322.88
mp-1221789
-6.130175
-1.724756
1.336291
other
Mn3Cr1As4
8
6
115.25
mp-759058
13.26513
0.389241
0.886615
other
Fe12O12F12
36
6
418.94
mp-1103416
5.329422
-0.456715
-2.997155
other
Na2B2H8
12
6
153.72
mp-1226290
-6.355188
-1.676641
1.470912
other
Cr1Fe3As4
8
6
112.28
mp-754764
13.245277
0.379374
0.897717
other
Fe4O4F4
12
6
140.56
mp-759247
13.274068
0.40282
0.903972
other
Fe12O12F12
36
6
419.97
mp-1215963
7.190775
8.428205
-2.229493
other
Y2O4F2
8
6
117.01
mp-625452
11.158033
4.225412
-3.404572
other
Pr2H6O6
14
6
142.46
mp-1228368
-4.629739
-3.2976
-3.560297
other
Ba6Bi13Se26
45
6
1,420.07
mp-1094076
9.89223
8.446911
3.141324
other
Sr1Er2O4
7
6
137.78
mp-780486
12.88281
-1.175299
0.961008
other
Mn6O5F7
18
6
200.91
mp-1100937
10.468741
9.689043
3.331308
other
Y20Ta8O50
78
6
1,046.68
mp-759595
13.2298
0.390275
0.937861
other
Fe18O18F18
54
6
642.87
mp-674333
13.239634
5.054264
-6.534359
other
Na6P2O8
16
6
224.71
mp-2218957
5.8034
12.09143
-1.841058
other
Mg1Fe4O8
13
6
147.56
mp-675541
1.402664
2.408246
-5.40762
other
K4Sn10Cl24
38
6
1,251.37
mp-1228860
10.209438
12.847145
-1.532664
other
Ba4Cr13O28
45
6
556.12
mp-38468
12.504705
11.980152
1.769681
other
Li7Ti12O24
43
6
420.45
mp-1199197
6.310138
2.193213
-3.263142
other
H12C24N36
72
6
932.58
mp-1224740
6.172821
10.147451
-1.950143
other
K7Fe5O16
28
6
591.24
mp-754590
13.273865
0.393661
0.859864
other
Fe6O6F6
18
6
206.6
mp-676802
8.281255
1.189888
1.280567
other
K12Hf6F36
54
6
1,057.36
mp-1348293
7.178693
12.400137
-1.447657
other
Zn4Co4O10
18
6
219.59
mp-761084
10.096901
12.597416
-4.03851
other
Na5V36O88
129
6
1,627.54
mp-1393209
11.760157
11.16947
0.081169
other
Ba2V3O7
12
6
189.84
mp-758352
13.300525
0.395665
0.880776
other
Fe18O18F18
54
6
617.83
mp-774591
9.914068
12.520802
-4.217831
other
Li1V18O44
63
6
804.47
mp-759222
13.21568
0.372728
0.855416
other
Fe18O18F18
54
6
626.1
mp-849463
7.048149
12.300626
-1.160531
other
Li11Fe4O12
27
6
285.17
mp-759927
13.275213
0.3609
0.868309
other
Fe12O12F12
36
6
412.68
mp-1228436
2.399631
2.092687
1.870122
other
Al3Ga1N4
8
6
85.2
mp-1224665
-7.730596
-2.493307
3.542271
other
Lu12Co31Sn16
59
6
984.82
mp-1218586
-6.838866
-7.11508
3.224502
other
Sr9Ca3Ag12
24
6
746.76
mp-758314
10.824088
12.615524
-3.644475
other
V16Cu5O40
61
6
768.88