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-1019894
13.866766
4.231863
-1.98827
other
La16B40O84
140
14
1,382.65
mp-23528
2.323501
2.901992
-4.562295
other
Mo4Cl12O4
20
14
555.08
mp-1209955
-2.86914
-2.477379
-5.899427
other
Nd8Si4S20
32
14
723.21
mp-776177
10.093692
0.472747
0.407438
other
Li8Fe4F20
32
14
349.28
mp-1214714
8.473697
1.123584
1.120667
other
Ba8Tl4F28
40
14
665.25
mp-778446
-2.750376
-0.200446
-5.27627
other
Cr8P12S48
68
14
1,985.22
mp-772426
7.732369
9.938788
-3.907549
other
Li8Cr12O40
60
14
836.61
mp-1181460
8.657963
1.355396
-4.13819
other
H48S8N16
72
14
827.27
mp-1202602
6.789679
6.225618
-3.728837
other
Yb4I4O36
44
14
663.7
mp-27915
11.103503
7.334547
-0.715572
other
K8Be4O8
20
14
318.51
mp-1376561
9.884285
2.242615
1.239928
other
V4Zn4F20
28
14
369.54
mp-1048383
10.558055
8.098822
-6.897188
other
Cr4P8O28
40
14
527.65
mp-1214251
5.570218
2.695405
-3.542952
other
C32N8Cl24
64
14
1,188.61
mp-726753
2.929179
3.209305
-4.076582
other
Ba4Cl8O8
20
14
488.37
mp-774382
10.263369
0.97175
1.613651
other
Li16Mn8F32
56
14
660.03
mp-556026
10.664963
2.341607
-0.426078
other
V4O4F12
20
14
263.04
mp-29757
8.306937
2.084709
-0.910746
other
Fe2As8F36
46
14
742.21
mp-1201118
8.664767
7.304937
-3.829038
other
Hg6Se8O24
38
14
693.76
mp-15415
-4.61163
-5.30038
0.290254
other
K16Ga8As16
40
14
1,266.8
mp-560929
9.296217
0.960572
1.147014
other
Na6Cr2F12
20
14
239.71
mp-561108
7.611397
6.619295
-3.127786
other
Y4I12O36
52
14
780.23
mp-1220049
-5.508322
-0.916777
-3.640846
other
Ni2Ru2S8
12
14
179.55
mp-1047628
10.728182
9.478125
0.332962
other
Mg4Sn8O16
28
14
401.77
mp-1377308
9.422466
0.638964
-0.164603
other
Mg4Cu4F20
28
14
316.35
mp-1101841
-5.289425
-1.799785
-1.631153
other
P4Os4Se4
12
14
202.16
mp-677055
-4.559258
-3.728483
-3.928581
other
Sc8Cu8Se16
32
14
666.09
mp-849228
9.578766
0.984299
0.332287
other
Li4Fe4F16
24
14
417.92
mp-571134
2.503206
2.982042
-4.327336
other
Se8N4Cl12
24
14
738.22
mp-1214843
1.300656
2.354001
-4.535376
other
Ba4H8Cl8
20
14
498.3
mp-11673
9.074724
6.815965
-4.027846
other
Sc8Se12O48
68
14
1,025.39
mp-1193658
-5.761328
-3.894533
-1.813801
other
Y12Te12N4
28
14
798.96
mp-531078
6.591262
14.933664
-1.641172
other
Li26Co22O48
96
14
791.48
mp-676060
8.815197
9.362997
2.362959
other
Gd4Cu2O8
14
14
183.26
mp-554923
11.394956
7.550016
0.641846
other
Sr8Ga16O32
56
14
789.2
mp-504149
11.247006
7.802087
-7.052468
other
Fe12P12O48
72
14
1,227.62
mp-505141
-2.694691
-0.553328
-5.013576
other
Cs8Sn4S56
68
14
1,992.28
mp-18655
-5.589885
-3.193291
5.658822
other
Ba4Si8Rh8
20
14
410.97
mp-1214029
7.452985
9.174056
0.644188
other
Ca6Nb2O12
20
14
275.13
mp-694318
11.510283
11.163517
-2.703127
other
In16W24O96
136
14
2,589.48
mp-29183
13.022461
10.414238
2.262021
other
La4Nb28O48
80
14
1,018.79
mp-14999
9.389184
0.730251
0.730928
other
Ba8Fe8F40
56
14
857.84
mp-1192899
6.751145
5.280151
-4.528983
other
Cu2C4O16
22
14
390.02
mp-11791
-4.341407
-3.844071
-3.617268
other
Ce4Cu4Se8
16
14
365.23
mp-560311
9.453701
0.555433
0.734297
other
Na6Fe2F12
20
14
243.16
mp-10495
-3.336573
-2.324286
-5.774098
other
Nd4Cu4S8
16
14
318.22
mp-5367
-4.973073
-6.199778
0.598191
other
K20Sn4Sb12
36
14
1,437.41
mp-16684
-3.295326
-2.345475
-5.777501
other
Pr4Cu4S8
16
14
323.66
mp-28289
4.218385
-0.289373
-2.380789
other
Si4H12F4
20
14
304.78
mp-1199561
13.932288
8.155933
-1.112456
other
Fe8Si8O24
40
14
457.99
mp-1196215
-7.709403
-5.691968
5.727053
other
La16Mg8Ni16
40
14
923.13
mp-1178165
6.242172
9.865398
-2.038751
other
K8Fe4O16
28
14
521.52
mp-1199229
6.356685
5.683908
-4.377316
other
S4N24O40
68
14
1,287.02
mp-1200219
10.608263
12.55756
-3.970223
other
V16Cr8O52
76
14
1,176.33
mp-1208379
9.712118
10.842565
-3.129599
other
Tb4W4O20
28
14
428.6
mp-760244
10.140208
10.648543
3.290893
other
Ca16Nb8O36
60
14
790.86
mp-1041338
9.940189
7.531728
-5.829113
other
Bi4P8O28
40
14
671.46
mp-771961
11.37851
10.891393
-2.223333
other
K8W4O16
28
14
544.15
mp-704707
11.503124
11.260958
-3.83661
other
Cr16Mo24O96
136
14
2,247.1
mp-1197432
1.342549
2.596045
-5.83081
other
Cs8Hg8Cl24
40
14
1,349.47
mp-849229
8.455692
3.939393
-4.518148
other
H40N8O40
88
14
814
mp-11792
-4.303542
-4.017782
-3.962703
other
Pr4Cu4Se8
16
14
365.02
mp-1210917
8.71024
1.404993
0.851815
other
Lu4Sn4F28
36
14
495.41
mp-769205
-5.316758
-0.946963
-4.542505
other
Li4Ni8S8
20
14
276.17
mp-1180367
7.154416
4.99355
-4.941617
other
Nd4C12O40
56
14
1,031.88
mp-26716
9.308483
8.357322
-6.056445
other
Co4P8O28
40
14
463.24
mp-554577
12.986541
6.867188
-7.190114
other
Li16P8O28
52
14
593.29
mp-18125
8.531286
1.696002
-0.671862
other
Ag2Au4F16
22
14
312.79
mp-1211891
9.320348
11.482656
-4.18459
other
Mn2V16O48
66
14
1,008.88
mp-15379
11.752005
6.792386
-0.625073
other
K24Si12O36
72
14
1,199.93
mp-1209250
10.779999
9.171337
-0.696546
other
Sb24I8O32
64
14
1,424.5
mp-29602
-5.732429
-3.546339
-1.74644
other
K8Zr4Te12
24
14
892.1
mp-1212977
11.498386
11.049788
-4.051844
other
Er4Mo8O30
42
14
652.04
mp-1211620
1.094232
1.889124
-5.575779
other
K4Eu8Cl20
32
14
868.32
mp-726421
5.29722
5.019529
-4.201298
other
Sn4Cl8O8
20
14
603.91
mp-19141
7.171338
10.149431
-0.615485
other
K12Co4O14
30
14
544.32
mp-1204348
9.358023
6.090627
-3.848212
other
Ca4B24O60
88
14
1,090.68
mp-1043235
12.085101
8.726565
-1.955416
other
V4Ge8O24
36
14
483.29
mp-1172857
13.697701
7.664346
-1.000607
other
Mn8Si8O24
40
14
456.76
mp-777241
9.414386
8.183319
-6.190805
other
Co8P8O32
48
14
634.29
mp-1245332
0.344354
2.49931
1.905061
other
Mn40Fe4N36
80
14
799.35
mp-758083
7.826573
4.975049
-6.200391
other
Co8C8O28
44
14
709.25
mp-1210445
1.233294
1.790924
-5.36688
other
Na6Lu2Cl12
20
14
485.43
mp-1101357
-1.189174
2.020725
-1.936618
other
Sr2Ca4I12
18
14
779.87
mp-775763
11.371745
8.093233
-0.246433
other
Al4Bi4O12
20
14
284.08
mp-818574
8.327545
7.251649
-3.770697
other
Fe4Se12O36
52
14
840.7
mp-1193525
7.685527
7.052739
-4.197061
other
U4Br4O20
28
14
607.95
mp-1190824
4.204887
3.052957
-3.723983
other
C4N16Cl4
24
14
664.68
mp-770893
8.612808
13.058138
-0.474481
other
Li16Fe8O20
44
14
475.47
mp-1192453
7.132477
6.70294
-4.014608
other
K6Np2O16
24
14
441.72
mp-1197554
6.635076
5.39809
-4.529481
other
Sb8N4O24
36
14
583.58
mp-1197703
6.062446
5.417928
-4.312295
other
Co4N20O36
60
14
1,032.52
mp-570080
-4.674829
-2.81437
-3.677187
other
Li8Te4Se12
24
14
565.06
mp-1019512
13.420994
5.928943
-6.6001
other
Al12P12O48
72
14
755.48
mp-1205478
7.830121
2.184325
-1.327539
other
Sb16Se80F96
192
14
4,432.14
mp-1019612
8.81341
8.5451
-0.098081
other
Cs16Zn4O12
32
14
852.31
mp-775300
7.664968
10.705294
-0.466683
other
Na12Co4O12
28
14
392.22
mp-1041342
8.452427
1.524714
0.740603
other
Ba4Ta4F28
36
14
611.29
mp-1207499
8.52718
9.767756
-3.183274
other
Yb4W4O20
28
14
439.67
mp-772116
-1.222095
2.099512
-2.347814
other
La4Mg4I20
28
14
1,661.87
mp-510528
-4.476518
-3.858573
-3.970339
other
Gd4Cu4Se8
16
14
343.52