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-17030
-6.941132
1.381425
-4.189886
other
Rb2Mo12Se14
28
148
683.6
mp-1217178
-4.197442
-0.148124
-4.43847
other
Ti3Fe1S6
10
148
176.03
mp-8285
11.724304
7.610227
-1.126909
other
Zn2Ge2O6
10
148
103.49
mp-1104651
-6.930152
1.488863
-4.064636
other
Li1Mo6Se8
15
148
313.05
mp-850280
9.444319
9.161451
0.261799
other
Na8Sn1O6
15
148
198.95
mp-1105390
8.678574
14.832105
-0.984499
other
Mn7Pb1O12
20
148
215.84
mp-1216961
-4.74122
0.216304
-4.437268
other
V18In2S24
44
148
703.55
mp-753027
6.054299
12.545738
-1.361572
other
Na8Ni6O14
28
148
290.37
mp-754636
9.874439
8.408545
1.219763
other
Er2Bi2O6
10
148
156.55
mp-1232195
-2.942219
-2.353122
-5.938202
other
Dy6Mg6S18
30
148
699.95
mp-3980
8.558064
1.87609
-0.554911
other
Li1Sb1F6
8
148
98.06
mp-1103534
-5.895707
1.550144
-4.788687
other
K1Mo6S8
15
148
294.13
mp-1202015
6.122968
5.662512
-4.388188
other
Yb2N6O24
32
148
440.28
mp-554699
11.675365
7.342173
-1.215666
other
Ge6Pb6O18
30
148
513.92
mp-1215810
-5.404718
-3.07313
-4.106568
other
Yb2Cu6Se6
14
148
282.29
mp-1105583
-1.066539
1.201828
-1.663639
other
Er7Co1I12
20
148
736.01
mp-972032
7.517839
6.510905
-3.121952
other
Tl2I6O18
26
148
405.68
mp-567566
-1.049329
1.17685
-1.659747
other
Ho7Fe1I12
20
148
743.29
mp-1079006
6.395939
5.08694
-4.387738
other
Pt1N2O6
9
148
108.64
mp-755804
10.285201
9.167135
2.784369
other
Lu6Te1O12
19
148
237.57
mp-1396958
9.281236
1.010198
-0.359248
other
Zn1Fe1F6
8
148
102.49
mp-2647004
8.173651
11.204208
-0.614263
other
Cd6Ir6O18
30
148
388.28
mp-764257
9.050587
2.860432
0.009969
other
W7O6F30
43
148
720.42
mp-545999
9.942663
9.982617
-1.107959
other
Ag2Sb2O6
10
148
137.64
mp-29231
-5.932599
1.645431
-4.947993
other
Mo6S6Br2
14
148
280.43
mp-756239
8.231244
12.522697
-0.719606
other
Li16Cr2O12
30
148
252.23
mp-2956
-5.262321
-1.164043
-3.75211
other
Co8Ge12S12
32
148
511.42
mp-1446092
9.887862
1.93722
0.785204
other
Mg1V1F6
8
148
98.12
mp-1232338
-4.487794
-3.966392
-3.943949
other
Y6Mg6Se18
30
148
799.17
mp-756479
10.235141
9.281477
2.828142
other
Lu6W1O12
19
148
237.22
mp-1205326
-1.209829
1.257087
-1.587056
other
Tb7Pt1I12
20
148
757.57
mp-754915
5.418898
9.917872
-2.375671
other
Na2Fe2O6
10
148
117.72
mp-1095099
8.546932
1.817416
-0.792118
other
Li1Pt1F6
8
148
94.32
mp-757149
10.602949
9.872451
3.868785
other
Sr2Hf7O16
25
148
309.35
mp-541451
11.423044
4.347616
-7.864974
other
Ga4S6O24
34
148
413.64
mp-7984
8.448913
1.736916
-0.210092
other
K1Os1F6
8
148
115.61
mp-13610
8.3543
1.288319
-0.415131
other
Zn1Pb1F6
8
148
109.54
mp-1104133
-6.91758
1.478221
-4.089152
other
Na1Mo6Se8
15
148
319.47
mp-1190159
-0.286135
0.425661
-3.237866
other
Sc7Ni1Br12
20
148
534.66
mp-558418
9.016977
1.269878
-0.502085
other
Na1Cr1F6
8
148
121.48
mp-772303
12.649877
6.93423
-6.836051
other
Sb4P6O24
34
148
479.93
mp-1232347
-4.510339
-4.062759
-3.904102
other
Tb6Mg6Se18
30
148
802.34
mp-5094
-5.253879
-1.86262
-3.169802
other
Co8Ge12Se12
32
148
569.42
mp-4190
9.868228
9.498597
0.777959
other
Ca2Sn2O6
10
148
134.53
mp-28649
12.843451
11.049437
1.911488
other
Na1Ti8O13
22
148
241.19
mp-640353
-2.519317
1.719912
2.470609
other
Cs4B24I24
52
148
1,723.52
mp-554955
9.523355
0.834247
0.221798
other
Mg1Cr1F6
8
148
94.76
mp-1216202
-5.325594
-3.048729
-4.175158
other
Y2Cu6Se6
14
148
284.17
mp-1101169
10.413445
8.545574
2.833068
other
Y6Al2O12
20
148
268.73
mp-569897
5.470513
2.386819
-3.946698
other
Cs4B24Br24
52
148
1,389.92
mp-1182686
6.913581
6.083104
-4.026154
other
Fe6S6O60
72
148
1,234.7
mp-752929
8.048491
5.16811
-6.308287
other
Fe4C8O24
36
148
445.46
mp-1390902
8.636405
1.364648
1.04354
other
Ca1Ti1F6
8
148
128.19
mp-1232232
-2.899976
-2.3819
-5.895124
other
Tb6Mg6S18
30
148
704.87
mp-998567
1.235572
2.31414
-5.421859
other
In2Sn2Cl6
10
148
369.28
mp-1103853
-5.684723
1.188602
-4.590693
other
Tb1Mo6S8
15
148
272.77
mp-20099
10.669964
9.759658
-0.543798
other
In6W1O12
19
148
235.4
mp-1103562
-5.653205
1.273752
-4.604768
other
Nb1Mo6S8
15
148
260.25
mp-560522
10.500272
4.908494
-6.63947
other
Mn6S6O18
30
148
403.67
mp-1078295
10.717687
11.787876
3.036519
other
Na2Nb2O6
10
148
129.44
mp-1080679
8.612171
1.670902
0.532446
other
Li1Ta1F6
8
148
104.74
mp-1219480
-6.413633
-4.214736
0.757812
other
Sb8Pd3Au1
12
148
283.3
mp-1189061
-9.07074
-6.36678
2.987915
other
Y6Mn2Au10
18
148
388.94
mp-761784
6.346852
8.770632
-0.072924
other
Ba8Bi10O27
45
148
780.07
mp-866826
-3.423769
-1.581632
-5.800138
other
Ca2Sn2S6
10
148
245.89
mp-3835
-6.008185
1.669383
-4.873292
other
Ba1Mo6S8
15
148
302.83
mp-1176491
10.448837
9.441945
0.13625
other
Mg2Sn2O6
10
148
113.12
mp-782005
9.604356
11.032579
-0.279463
other
Li6Te1O6
13
148
134.07
mp-1215665
-4.621833
-1.824128
-3.16697
other
Zr3Co1Se6
10
148
221.75
mp-850287
6.16283
12.775669
-1.31448
other
Na6Ni7O14
27
148
268.74
mp-768516
10.53128
4.330147
-7.112281
other
Ti4S6O24
34
148
479.39
mp-555066
-5.786194
1.586143
-4.884837
other
Mo6Pb1S8
15
148
288.02
mp-9819
8.34361
1.627175
-0.332264
other
Rb1As1F6
8
148
118.53
mp-756970
8.871706
6.772659
-4.263191
other
Al4Se6O24
34
148
443.33
mp-9821
8.3631
1.621895
-0.087136
other
Rb1Sb1F6
8
148
125.52
mp-1105706
-1.157575
1.225992
-1.602259
other
Tb7Co1I12
20
148
760.89
mp-1198962
10.416427
9.235056
-2.124582
other
Co2Te12O26
40
148
566.73
mp-1216138
-0.167902
0.538462
-2.829054
other
Y6C2Br6
14
148
372.3
mp-8275
11.606736
7.653571
-1.219143
other
Cd2Ge2O6
10
148
118.84
mp-27265
7.61772
9.41109
-2.059574
other
Au6Cl6O6
18
148
350.26
mp-542629
-7.00004
1.392678
-4.226961
other
Rb4Mo18Se20
42
148
1,055.7
mp-1178424
6.325199
13.347833
-1.998701
other
Co2Ni2O6
10
148
87.36
mp-777489
9.929292
1.620091
1.885834
other
Li6Fe6F18
30
148
477.31
mp-1080119
7.242404
5.88089
-3.451332
other
K2Pt1O6
9
148
112.92
mp-27419
8.445945
1.263587
-0.514188
other
Li1Bi1F6
8
148
103.54
mp-1383723
8.384356
1.223916
0.112576
other
Mg1Bi1F6
8
148
113.38
mp-8547
8.50263
2.132411
-0.795114
other
Pd1Pt1F6
8
148
104.35
mp-1401355
8.999916
2.134533
1.205441
other
Ca1Mo1F6
8
148
134.81
mp-7489
8.700233
1.620185
1.5343
other
Cs1U1F6
8
148
151.43
mp-1216875
-6.150144
-3.091524
-2.231733
other
Tm2Cu6Te6
14
148
334.8
mp-1104431
-6.949826
1.393138
-4.104237
original
Sm1Mo6Se8
15
148
315.04
mp-30943
-3.870285
-2.332608
-3.406724
other
Mg2P2Se6
10
148
249.71
mp-1103921
-6.973762
1.407876
-4.165643
other
Yb1Mo6Se8
15
148
318.01
mp-23482
6.183589
8.690607
-0.120214
other
Ba2Bi2O6
10
148
167.39
mp-758374
14.355898
6.661486
-6.640386
other
Ta7P16O56
79
148
1,164.97
mp-1194504
-5.782671
-2.305375
-1.457052
other
Sn12Ir8Se12
32
148
735.68
mp-9820
8.330219
1.561419
-0.102479
other
Cs1As1F6
8
148
135.04
mp-755831
6.359456
5.745795
-3.722934
other
Br6Cl6O6
18
148
452.57
mp-1446593
8.302994
1.273884
0.050555
other
Zn1Bi1F6
8
148
126.96
mp-768504
8.150632
6.53505
-5.597503
other
Ni4S6O24
34
148
450.7