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-1190974
-3.767456
-1.554555
-5.826022
other
Si4Ag8S12
24
14
534.37
mp-554600
13.027196
7.51405
-7.068849
other
Cr4P12O36
52
14
760.32
mp-1176512
13.581037
7.198411
-6.812116
other
Mn4P16O44
64
14
932.71
mp-18506
8.418812
1.373819
1.398496
other
Sm4Zr4F28
36
14
567.99
mp-669359
-5.858935
-3.661718
-1.62564
other
K4Nd12Te32
48
14
1,640.16
mp-1180233
8.899034
7.886455
-4.470217
other
Na4As8O24
36
14
475.01
mp-29566
-4.633169
-6.28746
2.125959
other
Cs8Na8Ge16
32
14
1,032.1
mp-777684
10.459702
1.897035
2.24632
other
Li4Fe8F20
32
14
390.24
mp-29195
12.949248
6.653508
-7.136546
other
Li12P12O36
60
14
703.04
mp-1211949
1.225661
2.125955
-5.698491
other
K12Tm4Cl24
40
14
1,172.6
mp-1198244
9.245084
7.00747
-5.182173
other
Zn4P8O20
32
14
596.09
mp-27904
-6.142715
-2.230772
-0.565004
other
Fe4Sb4S4
12
14
196.96
mp-30975
13.273501
4.812918
-2.248362
other
Na12B4O12
28
14
331.16
mp-1041708
9.543384
8.152387
-5.102653
other
Mn6As8O32
46
14
576.91
mp-1182973
6.973316
6.031672
-4.132116
other
Al4S4O40
48
14
802.07
mp-558184
11.629145
7.465312
-0.882226
other
Ba16Ge32O80
128
14
1,720.56
mp-1209270
0.78818
1.361384
-4.159757
other
Rb4Sm8Cl20
32
14
858.79
mp-27601
7.768354
9.930691
-3.834271
other
K8Cr12O40
60
14
1,054.1
mp-29007
13.727876
7.563886
-5.329038
other
P16S12O24
52
14
1,145.29
mp-1196716
6.268895
5.006052
-4.613353
other
Dy4N12O36
52
14
674.62
mp-757195
9.986379
2.473807
1.563449
other
Li4V4F16
24
14
318.21
mp-540894
9.057465
5.803949
-6.376982
other
Fe8S12O48
68
14
868.14
mp-1179579
6.494342
5.718665
-4.197204
other
U2N8O28
38
14
805.36
mp-28390
5.162808
2.911276
-3.805131
other
C4S12N16
32
14
647.97
mp-752787
10.428576
2.316042
-0.408839
other
V4O4F12
20
14
303.26
mp-773599
9.647807
9.99707
-1.207314
other
Na4Sb12O32
48
14
588.77
mp-1178583
9.068979
8.504958
0.117354
other
Cs12Dy4O12
28
14
778.52
mp-759570
9.848753
2.900212
1.823892
other
Li4V20F44
68
14
1,001.03
mp-754426
8.92195
10.171206
0.005942
other
Na12Ni4O8
24
14
372.29
mp-777678
9.633581
1.009043
0.188544
other
Li4Fe4F16
24
14
366.02
mp-1227860
-3.697775
-4.323504
0.896703
other
Ba4P4Pd4
12
14
306.18
mp-30012
8.314422
1.554866
-0.687563
other
Bi4Kr4F28
36
14
614.75
mp-759086
9.784608
2.219986
0.448095
other
Li8V8F40
56
14
768.12
mp-19037
10.92188
11.24333
-2.209323
other
K4W4O14
22
14
320.94
mp-1176675
9.711547
8.78816
3.274667
other
Li4Lu4O8
16
14
185.41
mp-1219478
-6.379026
-2.969302
0.545797
other
Sb4As4Rh4
12
14
236.85
mp-569984
-0.610352
1.328786
-4.607288
other
Cs12Au8Br44
64
14
2,560.11
mp-558631
14.199683
7.740954
-7.00396
other
Mn6P4O16
26
14
310.77
mp-777898
9.717153
0.906561
0.251534
other
Li8Fe8F32
48
14
719.43
mp-1182573
7.759307
6.584861
-4.446626
other
Ca4B12O48
64
14
942.66
mp-28196
10.595535
3.548555
-4.033344
other
K4H36O20
60
14
572.33
mp-561200
9.27898
0.456573
0.680671
other
Na6Mn2F12
20
14
264.84
mp-1197365
13.692283
8.25243
-1.320667
other
Fe14Si8O32
54
14
613.99
mp-1178357
7.041605
10.034088
0.029367
other
Eu8Co4O16
28
14
399.38
mp-8975
10.631612
7.952443
-3.476027
other
Hg12As8O32
52
14
773.66
mp-554748
10.063373
12.060719
-3.886545
other
V4Cu6O16
26
14
318.58
mp-558967
-3.367462
-0.781581
-4.836753
other
K12Ta8S44
64
14
1,638.03
mp-29543
13.616858
7.545244
-5.000628
other
P16Se8O24
48
14
1,009.14
mp-18483
10.783015
7.598905
-0.265404
other
Rb12Si4O14
30
14
572.97
mp-26574
10.528255
7.510459
-6.44676
other
Bi4P16O48
68
14
963.57
mp-754630
-1.260726
1.942861
-1.64512
other
Ba4Sr4I16
24
14
1,209.64
mp-1190009
5.538577
5.155262
-4.127502
other
Sn4Cl8O8
20
14
576.03
mp-560995
7.568274
6.589454
-3.049524
other
Y4I12O36
52
14
775.66
mp-568044
0.80273
1.319914
-4.043421
other
K4Sm8Cl20
32
14
824.73
mp-29492
7.971712
5.938772
-4.202508
other
S8I8O44
60
14
830.98
mp-768973
1.14064
1.720853
-5.221479
other
Ba8Y4Cl28
40
14
1,290.09
mp-1199337
8.060034
8.8515
-3.226021
other
Cu12Te4O32
48
14
643.37
mp-1221692
-5.134113
-2.250929
-3.786451
other
Mn2Cu2Se8
12
14
243.81
mp-556436
8.315257
2.289822
-0.995611
other
Sb8Br4F60
72
14
971.41
mp-31629
11.799257
11.396654
2.138547
other
Ta8Cr4O24
36
14
436.87
mp-27486
4.951796
3.0828
-3.718267
other
B12N36Cl24
72
14
1,502.22
mp-780053
11.723396
7.263942
-0.86317
other
Na16Ge16O40
72
14
1,065.27
mp-542232
9.469538
0.61328
0.573947
other
Ca4Fe4F20
28
14
396.36
mp-1204308
6.426824
5.791784
-4.453472
other
U4N8O44
56
14
943.12
mp-1194789
-0.664505
1.338295
-4.172943
other
Ir4Se12Br36
52
14
1,840.66
mp-4249
8.215477
4.141074
-6.107631
other
Hg2C4O8
14
14
175.44
mp-755098
5.346921
12.13239
-2.407192
other
Fe8O12F4
24
14
263.05
mp-752841
10.256465
0.849961
1.642866
other
Li4Mn6F16
26
14
414.68
mp-560348
-3.384578
-0.721806
-4.815535
other
K24Nb16S100
140
14
3,898
mp-761910
9.737914
0.388615
-0.185879
other
Li6Cu4F16
26
14
294.07
mp-1179438
8.188097
6.830713
-4.494405
other
Sn4As8O36
48
14
862.4
mp-558371
10.365916
10.356546
3.219847
other
La20Ti20O68
108
14
1,364.27
mp-1196307
8.578051
7.212667
-3.750023
other
Fe4Se12O32
48
14
783.61
mp-27288
8.38005
2.173906
-0.778198
other
Ru4Xe4F28
36
14
622.01
mp-1208825
-0.198552
0.947865
-3.862901
other
Sr8In4Br20
32
14
1,045.87
mp-29006
13.628565
7.508252
-5.186177
other
P16S8O24
48
14
963.4
mp-1207563
8.67883
9.615279
-3.680119
other
Yb4Mo4O20
28
14
434.13
mp-1203403
5.736609
2.275068
-3.010844
other
C242S4Cl40
286
14
4,001.97
mp-1246771
2.103706
2.352179
1.235735
other
Mn12Sn32N36
80
14
1,357.26
mp-1103434
-6.34097
-2.963323
0.563638
other
Sb4Ru4S4
12
14
225.43
mp-541975
-3.381856
-0.783552
-4.875863
other
Rb12Ta8S44
64
14
1,808.07
mp-1199904
13.056192
5.615363
-3.16692
other
Fe8B8O24
40
14
402.11
mp-1197335
7.79138
7.619924
-4.422871
other
Cu16S4O40
60
14
742.92
mp-29426
-1.003178
1.314402
-1.761339
other
Y20C8I36
64
14
2,329.35
mp-754925
-1.239048
1.881005
-1.61859
other
Ba4La4I20
28
14
1,323.16
mp-771519
10.239701
11.306853
0.102813
other
Ca8W4O20
32
14
413.75
mp-776442
-1.218766
1.912914
-1.598752
other
Ba8Y4I28
40
14
1,710.66
mp-1205273
7.365586
6.245197
-4.634317
other
Cd16S16O72
104
14
1,698.71
mp-1041341
8.430768
1.682028
-0.037387
other
Ba4Sb4F28
36
14
603.97
mp-550468
12.773657
7.697061
-6.658769
other
Co4P4O14
22
14
234.02
mp-559571
13.923337
4.557827
-2.100886
other
Zr4B8O20
32
14
275.22
mp-1100358
-3.420148
-1.674582
-5.639732
other
Ca8Sn8S24
40
14
1,095.11
mp-757433
11.626732
12.207253
2.054425
other
Na4Ti16O32
52
14
651.4
mp-779369
12.120374
1.121563
2.622418
other
Fe10O4F16
30
14
369.39
mp-561252
9.395307
0.944941
1.031624
other
Na10Cr6F28
44
14
581.5
mp-754053
13.410879
0.397897
0.895355
other
Fe4O4F4
12
14
136.6
mp-662513
1.458576
2.715394
-4.569975
other
Te8W4Cl24
36
14
1,205.74
mp-771139
9.316398
8.510926
0.173942
other
Cs16Hf4O16
36
14
952.62
mp-772272
7.788897
10.08688
-3.947617
other
Li8Cr8O28
44
14
571.18
mp-1195452
-1.307136
2.856366
-2.89686
other
Rb12Sb8I36
56
14
2,675.38