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-1195762
9.563911
7.60101
-3.340157
other
Hg12Se6O25
43
148
737.59
mp-756742
10.601913
8.480028
2.804487
other
Lu6Al2O12
20
148
249.42
mp-776083
10.973228
10.084945
3.199982
other
Hf2Sn2O6
10
148
173.9
mp-567678
-0.995939
1.100787
-1.6755
other
Y7Fe1I12
20
148
755.41
mp-33554
1.193831
1.871577
-5.42125
other
Na3Gd1Cl6
10
148
268.41
mp-7941
9.772835
10.956159
-0.285056
other
Li6Te1O6
13
148
123.51
mp-1105008
-7.02254
1.420018
-4.130344
other
Tm1Mo6Se8
15
148
308.96
mp-626193
11.717434
4.363541
-3.585797
other
Sc4H12O12
28
148
240.67
mp-541449
-6.049978
-2.895712
-2.045406
other
Cr2Ge2Te6
10
148
296.95
mp-18193
-8.85105
1.65312
-3.358974
other
Cs2Te14Mo12
28
148
811.08
mp-1104529
-6.783623
1.357231
-4.183661
other
Fe1Mo6Se8
15
148
304.73
mp-1229044
-3.132752
-1.872906
-5.412747
other
Ba24In8S38
70
148
2,089.94
mp-1222528
-4.630801
-1.511566
-5.843154
other
Lu2Cu6S6
14
148
236.16
mp-1215814
-4.566916
-1.582367
-5.560342
other
Yb2Cu6S6
14
148
240.07
mp-3249
9.889521
10.311012
3.383197
other
La4Ti3O12
19
148
238.91
mp-1205396
8.74011
14.734129
-0.697906
other
Pr1Mn7O12
20
148
218.85
mp-755225
9.838124
11.779563
0.533409
other
Li8Zr1O6
15
148
132.08
mp-8256
8.560719
1.956506
-0.627367
other
Zn1Pt1F6
8
148
97.62
mp-768432
8.014446
13.906617
-1.417665
other
Mn2Tl2O6
10
148
135.57
mp-1225403
-5.291458
-3.145523
-4.161626
other
Dy2Cu6Se6
14
148
278.07
mp-752829
10.461373
1.000179
1.698664
other
Li2Mn2F6
10
148
118.32
mp-756180
10.429918
9.968048
3.892223
other
Ba2Hf7O16
25
148
327.35
mp-1397377
8.62145
1.693686
0.655483
other
Mg1Sb1F6
8
148
121.92
mp-20641
7.994682
14.116964
-1.518861
other
Mn2Co2O6
10
148
96.2
mp-1216800
-5.022188
-1.187546
4.598289
other
U4Be51B1
56
148
521.43
mp-1219520
-4.647301
-1.432822
-5.705073
other
Sc2Cu6S6
14
148
227.5
mp-571416
-5.339335
-6.76682
3.911659
other
Sr28Al16Ge6
50
148
1,668.65
mp-773572
8.428364
13.263761
-1.015343
other
Li1Co6O7
14
148
134.6
mp-541226
8.264767
2.063608
-0.913136
other
Cs1Br1F6
8
148
141.12
mp-13906
8.857143
1.497297
-0.123135
other
Cu1Sn1F6
8
148
106.27
mp-23559
7.577599
6.57555
-3.080994
other
In2I6O18
26
148
394.72
mp-1216184
-4.68957
-1.420576
-5.859389
other
Y2Cu6S6
14
148
244.06
mp-540767
9.118629
5.706608
-6.421635
other
Fe4S6O24
34
148
436.18
mp-756681
10.824307
11.190219
-2.762514
other
Na1W9O27
37
148
499.21
mp-696104
12.915918
8.878972
-5.562666
other
Mo4P6O24
34
148
473.88
mp-1225120
-4.659365
-1.45771
-5.793344
other
Er2Cu6S6
14
148
240.1
mp-754634
9.635514
12.757938
-0.593161
other
Li6W1O6
13
148
126.04
mp-24431
13.295611
6.629167
-0.938982
other
Si8H8O12
28
148
401.01
mp-1178556
6.319067
8.993281
-1.916239
other
Ag2Pb2O6
10
148
146.42
mp-753570
10.585089
0.810938
1.7112
other
Li2Mn7F16
25
148
324.41
mp-4782
8.480046
1.321959
0.825069
other
Ca1Sn1F6
8
148
142.17
mp-1353670
8.34451
1.020059
1.663526
other
Rb7Th6F32
45
148
790.66
mp-669495
0.888203
1.266754
-4.250359
other
Nd14Cl32O1
47
148
1,255.85
mp-1404740
9.36561
0.866347
-0.209768
other
Ca1Fe1F6
8
148
112.92
mp-1104138
-6.899367
1.326056
-4.081884
other
Dy1Mo6Se8
15
148
311.79
mp-975924
-5.185965
-1.796142
-2.71694
other
Ge12Ir8Se12
32
148
639.09
mp-1104377
-5.70585
1.450257
-4.714835
other
In1Mo6S8
15
148
285.72
mp-1104114
-7.122995
1.574393
-4.163603
other
Eu1Mo6Se8
15
148
322.73
mp-2945
-5.776696
1.292744
-4.644907
other
Yb1Mo6S8
15
148
278.88
mp-13907
8.676895
1.501237
0.412106
other
Cd1Sn1F6
8
148
118.38
mp-755788
6.78779
12.800476
-1.718282
other
Tl2Co2O6
10
148
116.9
mp-1079820
6.809757
8.451133
-2.59234
other
K2Sn1O6
9
148
172.34
mp-1232253
-2.927658
-2.357874
-5.53161
other
Ce6Mg6S18
30
148
712.44
mp-28530
12.322396
11.029131
2.386006
other
K2Ta15O32
49
148
629.65
mp-778532
9.95517
1.474968
1.873875
other
Li12Fe6F24
42
148
575.05
mp-1103518
-5.670579
1.119056
-4.548813
other
Dy1Mo6S8
15
148
272.04
mp-754152
9.752606
8.511978
1.149383
other
Y2Bi2O6
10
148
159.82
mp-755657
12.897935
11.786039
0.50008
other
Ti2V2O6
10
148
104.66
mp-14142
10.603589
12.304733
1.96933
other
Ti2Zn2O6
10
148
106.96
mp-1403065
8.874093
1.441993
0.775514
other
Ti1Zn1F6
8
148
101.57
mp-8530
-5.883783
1.467308
-4.708606
other
Ca1Mo6S8
15
148
280.45
mp-1196742
7.526041
7.890309
-3.82789
other
U1Mo12O60
73
148
1,140.57
mp-763003
10.15154
0.798126
1.528557
other
Li6Mn6F18
30
148
491.79
mp-1232172
-4.495322
-4.060183
-3.94764
other
Ho6Mg6Se18
30
148
792.68
mp-580480
-7.939914
-2.883725
5.123113
other
Mn8Zn14Ga27
49
148
776.29
mp-560023
8.857409
1.444051
-0.280356
other
Ni1Sn1F6
8
148
102.54
mp-1224178
-4.631187
-1.470475
-5.863462
other
Ho2Cu6S6
14
148
241.41
mp-777459
10.079879
0.538885
0.650058
other
Li6Fe2F12
20
148
204.44
mp-13840
10.174391
8.393713
3.157067
other
Ho6Sc2O12
20
148
277.31
mp-1080477
6.37576
5.123745
-4.541626
other
I1N2O6
9
148
128.38
mp-9330
-2.574434
-0.599479
-5.437786
other
Cd2P2S6
10
148
228.04
mp-1288145
6.560257
11.325778
1.120544
other
La2Co2O6
10
148
118.07
mp-2994
-6.152485
-2.321775
-1.107478
other
Co8Ge12Te12
32
148
660.89
mp-505489
0.800849
1.224033
-3.932247
other
Sc7B1Cl12
20
148
444.12
mp-676512
9.030226
0.897286
1.395339
other
Na3Al1F6
10
148
116.71
mp-1104333
-6.914427
1.487148
-4.092647
other
Ti1Mo6Se8
15
148
296.6
mp-1178549
12.737285
12.607047
-0.27225
other
Al4V4O12
20
148
186.11
mp-581150
-8.863665
1.630485
-3.387883
other
Cs4Te20Mo18
42
148
1,252.14
mp-22721
-7.096288
1.583605
-4.23005
other
Mo6Pb1Se8
15
148
328.3
mp-4266
8.380906
1.727468
-0.446816
other
K1As1F6
8
148
110.02
mp-557585
13.450329
5.837867
-6.874978
other
Lu8P24O72
104
148
1,579.91
mp-13984
8.562013
1.681435
-0.701866
other
Cd1Pd1F6
8
148
107.07
mp-867749
6.456452
8.85183
-0.632138
other
Ca2Bi2O6
10
148
156.56
mp-27421
8.30312
1.091183
-0.456599
other
Rb1Bi1F6
8
148
132.28
mp-8387
10.083681
9.034707
-1.106257
other
Tl6Te1O6
13
148
285.26
mp-30006
6.243203
5.064693
-4.520049
other
Co4N8O24
36
148
399.05
mp-11171
8.567601
1.584553
-0.654464
other
Li1Rh1F6
8
148
93.46
mp-1204258
-7.751188
-2.782406
4.990215
other
La1Ga40Mo8
49
148
897.92
mp-1103923
-7.0475
1.578522
-4.190238
other
Tl1Mo6Se8
15
148
337.54
mp-1391800
10.227398
0.289237
0.05916
other
Mg1Mn1F6
8
148
92.49
mp-18050
11.300664
11.20896
-3.527712
other
Li12Mo6O24
42
148
559.87
mp-780260
12.38754
10.815805
1.512469
other
Ti2Ge2O6
10
148
142.29
mp-760122
9.495596
0.612189
0.352234
other
Li12Cu6F24
42
148
579.57
mp-754012
8.086311
4.865374
-6.642388
other
Mn2C4O12
18
148
206.71
mp-1203283
-7.736663
-2.733863
4.99253
other
Sc1Ga40Mo8
49
148
883.71
mp-35311
9.38874
1.17437
-0.091483
other
Zn1Cr1F6
8
148
93.76
mp-1217808
10.945034
13.002715
-3.067529
other
V30Cu34O95
159
148
1,760.34
mp-998537
8.769488
1.024302
0.877464
other
Zn2Ag2F6
10
148
137.55
mp-752607
9.957047
2.837337
1.983533
other
Li2V2F6
10
148
118.25
mp-581449
1.906972
2.71701
-4.525114
other
Re3Te6Cl36
45
148
1,435.03