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-1225585
-4.354978
-3.881687
-3.692201
other
Dy6Ge3Se14
23
143
565.48
mp-758779
10.48694
0.848836
1.603053
other
Li6Mn6F18
30
143
356.56
mp-1179593
7.043966
6.034717
-4.284056
other
Sr12S24O120
156
145
2,704.16
mp-1049304
9.333131
0.663773
0.220298
other
Ba6Mn6F33
45
145
730.14
mp-1202753
8.410747
1.075782
1.878141
other
K18Tm18F72
108
145
1,734.1
mp-614951
6.290756
4.975967
-4.46696
other
Rb9N9O27
45
145
870.4
mp-1044608
8.415118
1.617087
0.692475
other
Ba6Sb6F33
45
145
834.72
mp-1044589
8.238269
1.176389
0.806947
other
Ba6Bi6F33
45
145
829.5
mp-1198717
8.35187
1.05399
1.88017
other
K18Y18F72
108
145
1,825.16
mp-1197442
8.124948
1.37956
0.040357
other
K18Yb18F72
108
145
1,845.17
mp-759069
11.631622
3.98269
-3.673018
other
B6H18O18
42
145
369.03
mp-1648259
11.39126
2.955388
1.3134
other
V6O3F15
24
145
297.4
mp-29845
1.355759
2.618975
-5.846938
other
Cs9Hg9Cl27
45
145
1,469.74
mp-1044618
8.826696
1.73975
1.322737
other
Ba6Ti6F33
45
145
717.86
mp-1044595
8.572797
1.379439
0.890847
other
Ba6Sn6F33
45
145
791.29
mp-1196095
8.681104
5.788614
-6.23316
other
Ca6S6O27
39
145
547.36
mp-38975
4.942041
2.915125
-1.310425
other
P3N3O3
9
145
104.66
mp-1199204
10.409454
6.088472
-3.273542
other
B33Pb18O81
132
145
1,638.34
mp-1202737
11.186349
11.226502
-3.593859
other
Li36Mo18O72
126
145
1,784.65
mp-559125
7.70656
9.780335
-3.764267
other
Cr6Hg3O21
30
145
425.19
mp-1040864
8.973302
2.195681
1.207494
other
Ba6Mo6F33
45
145
818.57
mp-1041033
9.261986
0.761794
-0.35492
other
Ba6Co6F33
45
145
714.35
mp-1040790
9.389601
2.025173
1.100518
other
Ba6V6F33
45
145
767.6
mp-1041199
9.221395
0.856639
-0.474392
other
Ba6Ni6F33
45
145
697.46
mp-757917
12.017028
7.100731
-0.465943
other
Be6Ga12O24
42
145
467.63
mp-1040871
9.118986
2.254756
1.341923
other
Ba6W6F33
45
145
868.87
mp-1049253
9.113759
1.070939
0.616589
other
Ba6Cr6F33
45
145
747.07
mp-764496
8.993108
9.771927
-0.004872
other
Na28Ni4O18
50
147
718.1
mp-1220601
-5.336942
-2.099406
-1.479821
other
Nb6Te8Pb1
15
147
369.62
mp-1226268
-5.409427
-2.090138
-1.493036
other
Cs1Nb6Te8
15
147
388.21
mp-640950
-4.085884
-1.605877
-3.143221
other
Na6B54Se48
108
147
2,325.29
mp-760095
10.400542
1.036179
1.6877
other
Li6Mn6F18
30
147
378.31
mp-1220429
-3.960588
-0.43337
-3.139027
other
Nb6Bi1S8
15
147
275.51
mp-1094119
11.614241
7.556871
-1.244627
other
Na4Ge5O12
21
147
226.13
mp-1275198
10.670474
12.561314
-0.000295
other
Nb4Co8O18
30
147
337.84
mp-768268
-4.08944
-1.209553
-5.582336
other
Li14Co2S9
25
147
414.24
mp-1224115
-6.174985
-1.660378
1.33086
other
Ho2P7Rh12
21
147
301.98
mp-1223960
-4.001733
-0.452346
-3.151573
other
K1Nb6S8
15
147
280.04
mp-557315
12.196815
12.430068
-2.195526
other
Na12V18O42
72
147
1,034.1
mp-1220424
-4.564824
-1.262542
-2.545224
other
Nb6Sn1Se8
15
147
309.82
mp-1220444
-4.01231
-0.470116
-3.147125
other
Nb6Cd1S8
15
147
276.1
mp-568039
1.462115
3.222173
-4.916363
other
Cs2W6Cl18
26
147
681.79
mp-756198
-4.153674
-1.33847
-5.592105
other
Li14Mn2S9
25
147
421.23
mp-1221427
-4.800183
0.206343
-4.444867
other
Na1V6S8
15
147
233.31
mp-1221421
-4.011762
-0.454404
-3.124639
other
Na1Nb6S8
15
147
276
mp-752494
7.066204
9.862901
-0.952146
other
Rb12Co4O14
30
147
813.46
mp-1220442
-3.99857
-0.513233
-3.132424
other
Nb6Zn1S8
15
147
274.96
mp-1220488
-5.369072
-2.130656
-1.327623
other
Nb6Bi1Te8
15
147
367.44
mp-1225969
-6.131805
-1.658117
1.303994
other
Gd2P7Rh12
21
147
312.47
mp-754632
10.48663
10.840937
-3.254354
other
Pr1Re2O8
11
147
219.76
mp-1223931
-4.785219
-1.60039
-2.950914
other
K1Ti6Se8
15
147
310.22
mp-1221415
-4.797848
-1.543904
-2.97191
other
Na1Ti6Se8
15
147
304.74
mp-754311
9.947782
10.611921
-3.381763
other
Mg1Re2O8
11
147
180.32
mp-1223754
-4.606449
-1.21763
-2.541396
other
K1Nb6Se8
15
147
316.2
mp-10326
10.009341
10.57264
-3.344266
other
Zn1Re2O8
11
147
180.6
mp-32311
9.841681
10.347475
-3.341499
other
Re8Ni4O32
44
147
761.77
mp-1225638
-6.19699
-1.681828
1.299269
other
Er2P7Rh12
21
147
301.38
mp-755194
10.488246
10.879212
-3.173365
other
Er1Re2O8
11
147
199.32
mp-1219680
-4.003362
-0.457824
-3.159552
other
Rb1Nb6S8
15
147
282.99
mp-1224190
-6.574241
-2.390568
1.296229
other
Ho2As7Rh12
21
147
329.88
mp-1219672
-4.636535
-1.246828
-2.551633
other
Rb1Nb6Se8
15
147
319.54
mp-1220470
-5.373534
-2.06126
-1.439268
other
Nb6Zn1Te8
15
147
369.89
mp-627380
10.24498
10.707612
-3.425759
other
Mn4Re8O32
44
147
828.87
mp-706448
-6.765765
-2.286789
6.197496
other
Mn14Al56Ge3
73
147
1,091.24
mp-676601
-5.721406
1.155818
-4.665977
other
K9Mo48S56
113
147
2,338.64
mp-1182043
7.78178
6.599185
-4.780559
other
Cd3P6O30
39
147
716.04
mp-1079672
2.043276
2.596662
-0.389521
other
K2Sn2N6
10
147
311.95
mp-1220468
-5.343561
-2.110816
-1.40837
other
Nb6Sn1Te8
15
147
366.35
mp-770530
9.819503
12.109782
0.109642
other
Li28Mn4O18
50
147
493.12
mp-756079
10.048818
0.327166
-0.138829
other
Li4Mn2F12
18
147
198.3
mp-1176424
9.36718
9.726574
0.131569
other
Na28Fe4O18
50
147
733.11
mp-753585
-4.209879
-1.291607
-5.527732
other
Li14Fe2S9
25
147
426.43
mp-8724
9.999002
8.988778
-1.74566
other
K4Te2O6
12
147
240.9
mp-1219686
-5.403471
-2.088883
-1.484826
other
Rb1Nb6Te8
15
147
383.91
mp-27559
9.318707
9.05828
0.234991
other
Na14Cd2O9
25
147
365.87
mp-1220427
-4.557136
-1.173283
-2.571559
other
Nb6Ag1Se8
15
147
308.77
mp-753548
9.485305
8.914202
0.076257
other
Rb12Ti4O14
30
147
850.7
mp-28620
12.73637
8.182463
0.80107
other
Zr6S2O18
26
147
355.96
mp-1217510
-5.992043
-1.84234
1.266662
other
U6P13Rh20
39
147
603.03
mp-754760
10.028667
10.521359
-3.277807
other
Eu1Re2O8
11
147
229.45
mp-1220453
-3.966555
-0.45725
-3.161471
other
Nb6Sn1S8
15
147
274.99
mp-1220425
-4.625745
-1.317478
-2.600092
other
Nb6Bi1Se8
15
147
310.35
mp-778419
9.005935
9.22989
0.045457
other
Na14Cu2O9
25
147
356.61
mp-1220614
-3.928245
-0.437951
-3.130045
other
Nb6Pb1S8
15
147
277.63
mp-571180
1.436526
3.196325
-4.900985
other
Rb2W6Cl18
26
147
657.59
mp-1199017
8.279413
2.050778
-0.767574
other
Tl2Sb6F36
44
147
727.78
mp-1220896
0.918033
1.457163
-3.989038
other
Na1U2Cl6
9
147
213.31
mp-27569
9.526227
9.559058
0.218864
other
Na14Mn2O9
25
147
349.03
mp-1220423
-5.354012
-2.075313
-1.509545
other
Nb6Tl1Te8
15
147
375.3
mp-1217537
-6.123974
-3.838918
4.046337
other
U6Si19Pt30
55
147
899.47
mp-27228
11.466284
7.748766
-1.592782
other
Tl12Si4O14
30
147
647.26
mp-1220613
-4.584265
-1.20528
-2.599974
other
Nb6Cd1Se8
15
147
314.06
mp-555678
10.588679
12.346807
2.330402
other
Na4Ti5O12
21
147
233.52
mp-28529
-0.351532
1.169833
-4.50103
other
K4In4Br12
20
147
697.28
mp-1215726
-6.1425
-1.70993
1.421325
other
Zr2P7Rh12
21
147
303.65
mp-1217817
-6.138459
-1.662103
1.323226
other
Tb2P7Rh12
21
147
303.37
mp-1214120
8.345814
7.648762
-2.530689
other
Ca12Si4O26
42
147
680.4
mp-1221416
-4.627139
-1.246805
-2.513024
other
Na1Nb6Se8
15
147
311.13
mp-21282
10.10121
4.54027
-6.413512
other
Na4S2O6
12
147
163.75
mp-27928
-3.42417
-1.207891
-5.68371
other
Ge8S12I8
28
147
1,114.14