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-556587
2.011377
2.768953
-4.393452
other
Au4S4Cl28
36
14
1,018.76
mp-761113
9.042498
3.028819
-0.101051
other
W8O8F32
48
14
800.12
mp-684426
12.041824
7.282224
-7.012822
other
Sb4P16O48
68
14
918.39
mp-1245345
1.580407
2.474166
1.021528
other
Mn12Cd32N36
80
14
1,286.85
mp-1209576
-0.086403
0.765766
-3.437737
other
Rb4Nd8Br20
32
14
1,017.3
mp-761010
13.534484
5.954557
-7.489492
other
Ti4P8O28
40
14
532.33
mp-1195771
8.242374
7.982579
-4.173493
other
Zn8As8O36
52
14
733.63
mp-1211897
1.208465
2.130218
-5.681122
other
K12Dy4Cl24
40
14
1,192.02
mp-28570
-1.257426
2.65279
-2.781873
other
Na4In4I16
24
14
1,059.01
mp-1210324
1.425246
2.255025
-5.587347
other
Na6Yb2Cl12
20
14
515.5
mp-28286
8.544445
1.841334
0.50339
other
Na12Sb20F72
104
14
1,672.25
mp-771008
8.10662
8.540085
0.629856
other
Ba24Br16O16
56
14
1,826.31
mp-1246513
1.103466
2.483654
1.64016
other
Mn12Zn32N36
80
14
995.84
mp-17148
-4.757516
-3.008144
-3.939601
other
Na12Ga4Se12
28
14
709.13
mp-774615
14.108644
7.298926
-6.119809
other
Cr4P16O44
64
14
898.72
mp-1198036
9.691299
8.042771
-4.834441
other
Cu8As4O20
32
14
396.35
mp-772572
7.451967
10.088212
-0.54659
other
Rb12Co4O14
30
14
611.16
mp-1042751
11.392368
8.459064
-4.43969
other
V4As8O28
40
14
592.1
mp-1212941
9.717337
10.883364
-3.145261
other
Dy4W4O20
28
14
420.36
mp-1177454
9.569766
0.586901
-0.334394
other
Li16Cu12F48
76
14
972.6
mp-1198466
5.640514
3.016695
-3.495861
other
Cr4C84O24
112
14
1,944.19
mp-768536
8.990738
8.517432
0.120397
other
Cs12La4O12
28
14
841.21
mp-776726
10.059087
2.697113
1.664927
other
Li4V8F28
40
14
504.34
mp-28005
9.806238
5.132607
-6.288224
other
As8S12O48
68
14
956.09
mp-779766
8.160586
6.532627
-5.60834
other
Ni8S12O48
68
14
873.27
mp-1096905
11.380584
8.71476
2.369155
other
Ce16Al8O36
60
14
929.19
mp-570848
4.618309
2.392227
-3.119936
other
Hg4C4N8
16
14
266.1
mp-767351
14.785923
8.86138
-5.551463
other
V10P12O44
66
14
872.84
mp-762222
9.804432
0.367048
0.339821
other
Li8Cu4F16
28
14
323.67
mp-626449
11.721673
4.810147
-5.034355
other
P4H12O16
32
14
322.52
mp-23798
10.43713
2.541902
-3.052501
other
H16O4F8
28
14
218.98
mp-752886
7.991337
5.138103
-6.247227
other
Co2C4O12
18
14
245.12
mp-542093
11.262456
11.302031
-3.062524
other
Al8W12O48
68
14
1,107.72
mp-1209403
-1.210262
2.71224
-2.890186
other
Rb4Fe4I16
24
14
1,066.21
mp-1211526
1.065544
1.828168
-5.2617
other
K4Tb8Cl28
40
14
1,128.26
mp-18378
-5.945738
-3.626167
-1.969528
other
K12Al4Te12
28
14
1,081.65
mp-558163
7.830913
7.711715
-3.756808
other
Pb2Se4O12
18
14
308.02
mp-1196651
9.039732
9.595891
0.079629
other
Rb64Mn40O80
184
14
3,811.6
mp-28583
2.628088
2.446011
-4.595194
other
Si8N4Cl20
32
14
892.96
mp-29709
11.282819
7.649921
-3.787255
other
Hg12P4O16
32
14
527.39
mp-676212
-3.309731
-4.688965
0.768672
other
Na8Sr12P16
36
14
956.76
mp-510283
-4.610394
-2.753691
-3.768251
other
Cs4Ga4Se12
20
14
668.82
mp-1202624
12.643119
5.562659
-6.388527
other
Ca20P12O52
84
14
1,090.35
mp-1042672
6.339253
9.520329
-2.057825
other
Co8Bi16O56
80
14
1,284.26
mp-1214880
10.404538
9.510896
-2.064051
other
Al4Te8O22
34
14
483.64
mp-510058
12.839304
10.351756
0.220493
other
Ce4Mo20O32
56
14
803.64
mp-1196565
6.115162
5.214688
-4.461791
other
U2N12O28
42
14
699.04
mp-1210332
-0.239827
0.948045
-4.148922
other
Na6Tm2Br12
20
14
581.67
mp-753822
-3.532212
-4.21531
-4.203315
other
La8Se8O4
20
14
494.84
mp-1210776
10.561046
10.367284
3.218168
other
Nd20Ti20O68
108
14
1,356.07
mp-3963
8.561596
3.733954
-6.991639
other
K8C4O12
24
14
372.18
mp-1041638
10.091378
8.291241
-4.908864
other
Cr6As8O32
46
14
634.48
mp-1196890
9.348557
10.749171
0.606957
other
Sc8Rh8O24
40
14
432.85
mp-5416
9.441873
6.923856
-3.397548
other
Na8Se4O12
24
14
326.13
mp-1196617
7.832839
0.107154
-4.529631
other
Si44H252C84
380
14
4,525.25
mp-28845
8.303191
2.459176
-1.314621
other
Os4O12F8
24
14
321.47
mp-28143
8.770335
1.473844
-4.235845
other
H32S20N8
60
14
796.2
mp-752831
9.876969
0.422769
0.69225
other
Li4Cu4F8
16
14
187.98
mp-1200683
6.043062
5.188052
-4.403086
other
Pd2N12O28
42
14
589.33
mp-1245484
0.007333
2.160578
2.355385
other
Mn12V32N36
80
14
750.55
mp-752874
10.541787
0.053803
0.193361
other
Li4Mn4F16
24
14
290.78
mp-735020
7.881729
2.44798
-1.111894
other
Sb4N8F20
32
14
712.45
mp-27811
10.439337
9.364869
-1.931227
other
Li8Te8O20
36
14
498.76
mp-680761
12.508363
6.202052
-6.045955
other
Cd36P24O96
156
14
2,058.02
mp-1195574
-4.5068
-3.201237
-3.809428
other
Ba16Ga8Se32
56
14
1,791.54
mp-30197
1.233986
2.112241
-5.672165
other
K12Er4Cl24
40
14
1,187.53
mp-777457
10.308489
1.528183
2.041192
other
Li16Fe8F32
56
14
656.69
mp-1245346
0.39988
2.58577
1.83029
other
Mn12Co32N36
80
14
769.38
mp-29200
6.48053
5.092209
-4.459868
other
K4N4O8
16
14
281.68
mp-1198445
7.615772
7.417838
-4.219379
other
U8Cl8O40
56
14
1,118
mp-1192710
6.890694
7.470244
-3.602193
other
Ni4Cl8O16
28
14
432.13
mp-2963
12.384126
7.27905
0.854439
other
Ca12Al24O48
84
14
1,071.18
mp-556198
13.076662
6.204708
-0.692583
other
Na8Si12O28
48
14
672.07
mp-540416
10.124881
8.251359
-6.945952
other
Mn4P8O28
40
14
508.21
mp-540645
8.724847
8.446254
-1.642189
other
Hg24Cl16O16
56
14
1,202.14
mp-569830
-0.838825
1.173645
-4.083621
other
Te16Pd8Br48
72
14
2,832.58
mp-29409
8.273117
2.426735
-1.300401
other
C4I4F28
36
14
582.18
mp-1214301
8.075696
2.298924
-1.155423
other
Be4N4F12
20
14
381.53
mp-755530
8.711079
9.422787
-0.097462
other
Na12Cu4O8
24
14
355.72
mp-1201012
11.136939
5.562071
-2.971133
other
B32Pb4O60
96
14
1,123.55
mp-15417
-3.455387
-4.398406
0.723289
other
K16Ga8P16
40
14
1,166.13
mp-777669
10.316549
1.612285
2.073349
other
Li16Fe8F32
56
14
647.72
mp-776199
6.51344
5.896058
-3.544845
other
Ag4Cl4O12
20
14
309.05
mp-759492
10.408264
0.897126
1.657259
other
Li8Mn8F24
40
14
527.33
mp-568522
-1.169003
2.783683
-3.093946
other
In12Sn4I20
36
14
1,419.52
mp-1182126
6.23595
5.443257
-4.424465
other
Ce4N12O54
70
14
1,250.43
mp-759857
12.277698
11.911716
0.294855
other
Cr24O16F16
56
14
763.87
mp-1181718
7.064111
6.762435
-4.156249
other
Fe4S4O32
40
14
902.09
mp-757098
-4.767873
-0.948277
-5.252402
other
Li4Fe4S6
14
14
255.55
mp-1213054
1.121757
1.904333
-5.511106
other
Eu8Tl4Cl20
32
14
877.66
mp-541001
-1.216274
2.538806
-2.811477
other
Li4In4I16
24
14
969.81
mp-567710
-5.843237
-3.631053
-1.680195
other
K4Pr12Te32
48
14
1,663.47
mp-23552
7.564118
6.595206
-3.073802
other
Er4I12O36
52
14
770.29
mp-768214
-4.419454
-1.04059
-5.395081
other
Li12Fe4S12
28
14
474.14
mp-23388
10.772484
10.768149
-3.717911
other
Bi8Mo12O48
68
14
947.81
mp-1224429
0.630259
1.87633
-4.929364
other
Hg30As16Cl24
70
14
1,969.42
mp-756709
8.848866
2.034202
-1.321576
other
Mn4O4F8
16
14
258.47
mp-1197158
-4.574225
-2.24897
-3.284836
other
Cs12Nb8Se44
64
14
2,287.18
mp-1198558
7.959941
5.183619
-5.99169
other
Cd8C8O24
40
14
563.06
mp-554146
9.322551
8.641874
0.314612
other
K28In8O26
62
14
1,279.39