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-561507
12.39064
7.245977
0.907886
other
Ca4Al6O13
23
217
321.04
mp-1185677
-6.02795
-8.36863
5.688347
other
Mg16Al12Pb1
29
217
594.3
mp-769004
6.419676
9.559453
-1.311291
other
Li12Bi4O16
32
217
344.86
mp-18062
-6.359265
-6.781638
2.451765
other
Na10Yb1Sn12
23
217
719.89
mp-1207793
10.715374
9.267468
0.535282
other
Y6Sb10O24
40
217
623.58
mp-1183991
-6.133625
-8.352826
5.759003
other
Eu1Mg16Al12
29
217
598.31
mp-30253
-6.313675
-6.810761
2.445136
other
Na10Sr1Sn12
23
217
713.39
mp-1204728
-3.054047
0.805593
2.576301
other
Tm10Mn13C18
41
217
498.6
mp-19343
13.462711
4.979236
-2.63023
other
Co4B6O13
23
217
214.61
mp-1208781
-3.219072
0.681249
2.858222
other
Sm11Fe12C18
41
217
545.02
mp-764778
5.924846
14.810422
-1.320344
other
Li12Mn4O16
32
217
276.15
mp-17862
-3.420653
-3.756599
0.359037
other
Ag6Ge10P12
28
217
555.13
mp-1120735
-4.94567
-2.123497
-3.483522
other
V1In3Se4
8
217
230.79
mp-1207710
-3.079049
0.593006
2.610108
other
Yb11Mn12C18
41
217
527.26
mp-3782
10.609769
9.2693
0.63493
other
Nd6Sb10O24
40
217
667.86
mp-865880
-6.164317
-8.321443
5.778774
other
Yb1Mg16Al12
29
217
587.61
mp-1120732
-3.848887
-0.210622
-5.582351
other
V1In3S4
8
217
208.42
mp-1120763
-4.798557
-2.761154
-3.603091
other
Cs3V1Se4
8
217
318.89
mp-4812
13.643717
4.406343
-2.43268
other
Zn4B6O13
23
217
208.46
mp-756633
9.385167
10.16758
0.035085
other
Li12Bi4O12
28
217
358.17
mp-636287
-8.389302
-3.86975
4.159866
other
Eu3Ga4Ni4
11
217
204.21
mp-647164
-4.726799
-1.318545
-5.718306
other
Cu12Sb4S13
29
217
546.12
mp-1246158
1.208908
2.643769
1.822967
other
Al6W5N16
27
217
373.71
mp-727445
10.472598
11.104533
-3.025993
other
Ga1W12O40
53
217
3,038.19
mp-1186464
-6.219964
-8.29542
5.802037
other
Pm1Mg16Al12
29
217
590.41
mp-7531
12.29282
7.244521
0.824894
other
Ca4Al6O13
23
217
341.21
mp-1185683
-6.061708
-8.595237
5.705503
other
Mg16Al12I1
29
217
601.41
mp-504775
-3.846723
-3.670002
0.907711
other
La6P17Pd6
29
217
573.88
mp-1183843
-6.111237
-8.730232
5.930672
other
Cs1Mg16Al12
29
217
613.38
mp-1187293
-6.235153
-8.231919
5.808881
other
Tb1Mg16Al12
29
217
587.71
mp-818713
8.159112
7.499465
-4.284235
other
V30As6O105
141
217
2,543.9
mp-559023
9.496303
9.016476
0.255182
other
Na24In5O15
44
217
716.1
mp-30252
-6.31413
-6.809756
2.440434
other
Na10Ca1Sn12
23
217
703.58
mp-2973
10.654408
9.221452
0.578988
other
Pr6Sb10O24
40
217
678.95
mp-1185646
-6.040742
-8.616684
5.744478
other
Mg16Al12Br1
29
217
594.29
mp-1025396
-4.554896
-2.854343
-3.775573
other
Nb1Tl3Se4
8
217
251.94
mp-1185685
-6.043218
-8.32137
5.654818
other
Mg16Al12In1
29
217
589.98
mp-1185684
-6.019363
-8.317801
5.837451
other
Mg16Al12O1
29
217
595.15
mp-7562
-3.626834
-1.47863
-5.460241
other
Ta1Tl3S4
8
217
233.27
mp-1185723
-6.179325
-8.401284
5.760983
other
Mg16Al12V1
29
217
574.22
mp-555863
8.818645
2.514227
-0.905451
other
P4Pt1F12
17
217
270.73
mp-972093
-6.209972
-8.186841
5.786182
other
Tm1Mg16Al12
29
217
583.64
mp-768483
10.819736
9.093949
0.424956
other
Lu6Sb10O24
40
217
594.03
mp-1185670
-5.967534
-8.260209
5.617605
other
Mg16Al12Ge1
29
217
580.13
mp-4198
10.925635
7.542268
-3.068303
other
Ag6P2O8
16
218
217.53
mp-1245354
1.764697
2.266965
1.408863
other
Li56Cr8N32
96
218
892.23
mp-1196120
-4.708652
-5.317575
0.55021
other
Sr32Si8As32
72
218
2,086.65
mp-29834
-4.58921
-3.026501
-3.667009
other
Cs32Si8Se32
72
218
2,936.72
mp-556627
-3.557774
-1.508934
-5.454973
other
K32Ge8S32
72
218
2,093.16
mp-1245351
1.761314
2.099569
0.915019
other
Na56Mn8N32
96
218
1,660.5
mp-14002
-4.505818
-5.363853
0.735523
other
Ba32Ge8As32
72
218
2,470.64
mp-1247494
1.863992
2.159881
1.484522
other
Li56Re8N32
96
218
953.84
mp-574224
-5.814852
-3.743119
-1.710757
other
Cs32Si8Te32
72
218
3,566.95
mp-14214
-3.223501
-4.610803
0.933288
other
Ba32Si8P32
72
218
2,261.16
mp-1029522
2.013069
2.180226
1.347485
other
Li56Sb8N32
96
218
980.84
mp-15503
-4.501739
-5.402515
0.769927
other
Ba32Ti8As32
72
218
2,498.48
mp-1212555
-5.379542
-5.25324
3.303774
other
Ge38P8Cl8
54
218
1,162.49
mp-1245557
-0.061375
2.362652
2.133288
other
V8Co56N32
96
218
937.9
mp-14001
-4.540092
-5.433422
0.726307
other
Ba32Si8As32
72
218
2,429.83
mp-27625
-5.36827
-5.287051
3.151152
other
Ge38P8Br8
54
218
1,182.04
mp-30230
-3.808461
-1.662344
-5.398633
other
Rb32Sn8S32
72
218
2,484.48
mp-1212622
-5.818557
-5.271029
3.286561
other
Ge38Sb8I8
54
218
1,368.84
mp-28578
8.088238
2.215908
-1.054927
other
Cs8I24F128
160
218
2,986.55
mp-568847
-4.680487
-2.997629
-3.773819
other
K32Ge8Se32
72
218
2,361.61
mp-14215
-3.270843
-4.540436
0.953562
other
Ba32Ge8P32
72
218
2,312.64
mp-15501
-4.802551
-5.254629
0.620267
other
Sr32Ti8As32
72
218
2,160.5
mp-27626
-5.337506
-5.319294
3.35207
other
Ge38As8I8
54
218
1,272.48
mp-5408
10.718465
7.944839
-2.962188
other
Ag6As2O8
16
218
231.9
mp-1245691
-1.419302
2.033447
2.405523
other
V8Fe56N32
96
218
942.4
mp-15502
-3.273294
-4.601822
0.962506
other
Ba32Ti8P32
72
218
2,338.6
mp-15500
-3.461076
-4.587337
0.731485
other
Sr32Ti8P32
72
218
2,014.56
mp-1245358
1.770816
2.206002
1.326693
other
Li56Ru8N32
96
218
932.22
mp-23420
-5.455456
-5.194294
3.26164
other
Ge38P8I8
54
218
1,221.28
mp-1214132
-3.52507
-4.553785
0.632983
other
Ca32Si8P32
72
218
1,672.67
mp-1208796
-3.297076
-4.567677
0.70393
other
Sr32Si8P32
72
218
1,934.43
mp-1212561
-5.32678
-5.269251
3.258227
other
Ge38As8Br8
54
218
1,232.32
mp-1212667
-5.586305
-5.249774
3.161771
other
Ge38Sb8Br8
54
218
1,325.83
mp-14213
-3.307364
-4.480672
0.692158
other
Sr32Ge8P32
72
218
1,971.58
mp-14712
2.321941
2.270765
1.44284
other
Li56P8N32
96
218
801.22
mp-721851
13.676756
4.308975
-2.688637
other
B24H24O48
96
218
718.5
mp-1201546
-4.758808
-5.310677
0.539914
other
Sr32Ge8As32
72
218
2,124.02
mp-568989
1.766346
2.515378
1.029396
other
Li56Ni8N32
96
218
890.8
mp-766600
-3.654509
-1.146532
-5.620368
other
Li32Ti8S32
72
218
1,340.88
mp-1029517
2.105005
2.266471
1.143265
other
Li56Bi8N32
96
218
1,038.21
mp-4825
1.663268
2.369433
1.597116
other
Li56V8N32
96
218
859.96
mp-5515
1.749618
2.312841
1.313399
other
Li56Mn8N32
96
218
846.61
mp-1223538
1.454702
2.181953
0.221121
other
K4Ba4N12
20
22
609.31
mp-1190942
5.439287
-0.45744
-3.018737
other
Mg2B4H16
22
22
331.75
mp-1220933
-5.688135
-2.181512
4.580545
other
Nb8Co6Si14
28
22
387.44
mp-752802
11.237849
0.869056
0.085176
other
Fe5O4F8
17
22
219.55
mp-1221607
-5.189354
0.222315
3.317258
other
Mn2Re6B4
12
22
135.1
mp-1201493
8.620703
10.228295
0.269111
other
Rb44Mn32O64
140
22
2,885.14
mp-1228945
-6.432783
-1.968268
5.405774
other
Al2Cr2Ge2
6
22
84.27
mp-1177178
8.581432
15.058344
-0.896241
other
Li9Mn21O40
70
22
754.63
mp-1219906
2.657001
2.774473
-3.976737
other
Pt1Br6N4
11
22
314.88
mp-1209049
-6.425872
-4.96036
1.030559
other
Sm6Ni6Bi8
20
220
471.71
mp-1105392
-6.58516
-4.642643
0.940381
other
Ce6Bi8Pt6
20
220
509.27
mp-1210590
-8.601961
0.2609
4.135509
other
Nd8Co92B12
112
220
1,303.18
mp-1105955
-5.921596
-4.61208
0.94161
other
Er6Cu6Sb8
20
220
427.51
mp-1201722
11.843501
8.426411
-1.306108
other
Ge6Sb8O24
38
220
579.26