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-14972
13.28779
4.699107
-1.372121
other
Ba18Sc6B18O54
96
185
1,339.9
mp-14386
13.236094
4.694187
-1.36335
other
Ba18Lu6B18O54
96
185
1,382.61
mp-6131
11.319042
5.792893
-2.082865
other
Ba18Yb6B18O54
96
185
1,424.53
mp-556647
10.30159
10.647317
-2.270833
other
Ba10Re6Cl2O30
48
185
850.74
mp-628618
8.226153
9.99022
-2.705928
other
Ba10Os6N2O36
54
185
897.17
mp-565597
-2.921373
-0.696873
-4.946112
other
Cu18P24S24I18
84
185
2,257.06
mp-24097
12.820535
5.801808
-1.862788
other
Mg6Si4H8O18
36
185
369.98
mp-556721
10.33329
10.648218
-2.294736
other
Ba10Re6Br2O30
48
185
860.92
mp-14385
13.233542
4.715101
-1.35128
other
Ba18Tm6B18O54
96
185
1,349.44
mp-1214885
13.271304
4.717771
-1.39663
other
Ba18Er6B18O54
96
185
1,401.09
mp-1195508
1.521326
2.103326
0.938633
other
Ba18Ta6N18Cl12
54
185
1,300
mp-570311
-4.598238
-5.628344
0.550988
other
K24Sr12Sn6As24
66
185
2,251.78
mp-6310
13.271085
4.710686
-1.377316
other
Ba18Y6B18O54
96
185
1,418.02
mp-555095
10.106391
10.604351
-2.570445
other
Ba10Re6N2O36
54
185
889.89
mp-1229074
7.743272
10.376582
0.556557
other
Ba8Sr4Ir12O36
60
187
858.14
mp-2217817
-3.469622
-1.135349
-5.353091
other
Ba2Mg1V2S6
11
187
299.63
mp-552674
12.514067
9.499125
1.840472
other
Zr1Ta1N1O1
4
187
53.11
mp-1025838
-7.468559
3.287869
-5.354856
other
Te2Mo2W1S4
9
187
289.01
mp-1216142
10.126416
10.490549
3.062659
other
Y2Ti1Cu1O6
10
187
129.68
mp-1236223
8.609788
3.641003
-7.101475
other
K4Li1C2O6
13
187
290.91
mp-1229206
8.545586
13.217684
-1.175634
other
Ba1Ca1Fe24O38
64
187
729.71
mp-1225458
10.225728
10.37302
3.150645
other
Dy2Ti1Cu1O6
10
187
130.29
mp-1228967
-5.437011
0.090192
3.086708
other
Al1Cr4Ga1C2
8
187
89.03
mp-1216500
-7.527137
-2.391347
2.75913
other
Zr2Mn12Ga1Sn11
26
187
447.26
mp-1025675
-9.969845
2.563191
-3.822432
other
Te4Mo2W1Se2
9
187
335.19
mp-1215851
7.546014
9.502038
-1.30134
other
Yb2Ti1Cu1O6
10
187
124.6
mp-1233486
7.935163
10.189979
0.751206
other
Ba4Mg1Rh4O12
21
187
301.55
mp-1205807
5.737451
11.712685
0.010451
other
Ba1Sr1Co2O6
10
187
130.14
mp-1025774
-8.62747
2.627122
-4.553349
other
Te2Mo2W1Se4
9
187
315.11
mp-1217747
10.070862
10.294738
3.015652
other
Tb2Ti1Cu1O6
10
187
131.37
mp-2217302
7.164823
11.194822
0.320716
other
Ba2Mg1Ni2O6
11
187
160.85
mp-1226584
-8.598783
-1.97491
4.412722
other
Ce1Si1B1Rh3
6
187
91.45
mp-753082
12.422416
11.304291
-0.038181
other
Li1Fe5O5F1
12
187
138.06
mp-1226941
-5.082696
-4.11758
5.778566
other
Ce4Co1Si6Au1
12
187
240.77
mp-1025748
-6.528257
2.270315
-4.932893
other
Mo2W1Se4S2
9
187
280.37
mp-1225906
-6.959767
-1.181912
4.753041
other
Dy1Mn6Ga1Ge5
13
187
190.43
mp-1025663
-6.158822
2.305276
-5.331934
other
Mo1W2Se2S4
9
187
265.41
mp-1215922
-8.584888
-1.968954
4.400164
other
Y1Si1B1Rh3
6
187
89.83
mp-2226502
-6.080182
1.8083
-4.611498
other
Mg1Mo3Se4S2
10
187
281.03
mp-1235235
7.713056
10.210416
0.675938
other
Ba4Li1Rh4O12
21
187
294.43
mp-1223028
8.329535
5.801054
-3.653438
other
La1Ce1O4F2
8
187
116.82
mp-1025654
-9.613661
2.470335
-3.830895
other
Te4Mo2W1S2
9
187
320.66
mp-1216253
-8.491346
0.389447
4.268603
other
Y4Co16B3C1
24
187
294.7
mp-2217423
10.230672
10.348587
0.428187
other
Na2Mg1Co2O4
9
187
104.99
mp-1219008
-8.576736
-0.3648
4.67068
other
Sm1Mn1Co3Cu1
6
187
87.58
mp-1217086
-7.566503
-2.504083
2.68539
other
Tm2Mn12In1Sn11
26
187
463.82
mp-1215316
-7.516936
-2.250846
2.902842
other
Zr1Mn6Ga1Sn5
13
187
220.99
mp-1216796
10.281363
10.432109
3.161397
other
Tm2Ti1Cu1O6
10
187
124.56
mp-648988
6.95713
6.69205
-3.188291
other
Na3Li3C3O9
18
187
252.48
mp-2217469
9.172122
10.522679
0.10638
other
Na2Mg1Ni2O4
9
187
102.71
mp-1025715
-7.789096
3.443098
-5.737885
other
Te2Mo1W2S4
9
187
287.7
mp-1025589
-6.670597
2.217471
-5.308503
other
Mo1W2Se4S2
9
187
281.09
mp-2217621
-3.349822
-1.533885
-5.260755
other
Ba2Mg1Ti2S6
11
187
314
mp-2217970
6.882692
11.076561
0.799782
other
Ba2Mg1Co2O6
11
187
162.65
mp-1222460
10.247007
10.465445
3.099329
other
Lu2Ti1Cu1O6
10
187
122.32
mp-1025574
-9.004821
2.697989
-4.847395
other
Te2Mo1W2Se4
9
187
313.66
mp-1225752
10.343398
10.296492
3.13556
other
Er2Ti1Cu1O6
10
187
126.4
mp-1026352
-10.089639
2.609135
-4.125756
other
Te4Mo1W2S2
9
187
321.86
mp-1025896
-5.972692
2.093257
-4.919598
other
Mo2W1Se2S4
9
187
268.98
mp-1222950
-9.147243
-0.853151
3.490423
other
La1Fe1Cu1Ni3
6
187
88.15
mp-1226531
-8.19716
-2.253729
4.482464
other
Ce1Si1B1Ir3
6
187
92.71
mp-1216923
-7.576777
-2.361792
2.724641
other
Tm1Mn6In1Sn5
13
187
229.04
mp-1224098
10.214418
10.320313
3.124206
other
Ho2Ti1Cu1O6
10
187
127.22
mp-554814
7.939083
11.432133
-0.853133
other
Ba1Sr1Fe4O8
14
187
312.46
mp-1219700
-6.866978
-1.066934
4.517692
other
Sc2Mn12Ga1Ge11
26
187
367.12
mp-1219367
-6.923157
-1.085046
4.567864
other
Sc1Mn6Ga1Ge5
13
187
184.42
mp-1222882
-8.681351
-1.444467
3.215755
other
La1Mn1Al1Ni3
6
187
93.22
mp-1025585
-10.280792
2.610362
-4.109533
other
Te4Mo1W2Se2
9
187
336.16
mp-1222984
-9.071067
-1.856823
3.19692
other
La1Al1Cu1Ni3
6
187
91.14
mp-1227712
6.679426
12.029282
1.384069
other
Ba1Sr3Mn4O12
20
187
252.8
mp-540634
11.895241
7.38322
-0.882147
other
Ta2Tl2Ge6O18
28
188
438.36
mp-14058
13.12972
6.018259
-6.698575
other
K2Mg2P6O18
28
188
388.19
mp-1211332
13.090858
6.265618
-6.570146
other
K2Zn2P6O18
28
188
388.13
mp-1214320
11.811475
7.27597
-0.818455
other
Ba2Ti2Ge6O18
28
188
425.74
mp-556498
13.471073
4.546143
-1.916771
other
Sr4Be4B4O14
26
188
302.14
mp-758451
14.702063
8.055798
-5.599576
other
Li2V2P6O18
28
188
356.19
mp-1211527
13.774817
6.988642
-6.784774
other
K2Mn2P6O18
28
188
403.1
mp-6661
12.793304
6.409781
-0.775662
other
Ba2Ti2Si6O18
28
188
375.18
mp-1207409
9.891501
7.559761
-6.125422
other
Zn2P6N2O18
28
188
381.06
mp-1210647
9.890362
7.55121
-6.037446
other
Mg2P6N2O18
28
188
385.44
mp-1210751
10.644887
7.988364
-7.138735
other
Mn2P6N2O18
28
188
379.22
mp-1194160
12.922151
6.295821
-0.523426
other
Ba2Hf2Si6O18
28
188
409.15
mp-11625
13.111884
5.965865
-6.505335
other
K2Ca2P6O18
28
188
435.57
mp-1214007
10.06241
7.345572
-6.021058
other
Ca2P6N2O18
28
188
457.4
mp-1213892
10.077827
7.415624
-6.145898
other
Cd2P6N2O18
28
188
437.75
mp-540633
11.80636
7.291391
-0.842294
other
Rb2Nb2Ge6O18
28
188
459.77
mp-26897
13.873343
6.990843
-5.979644
other
Li2Sn2P6O18
28
188
380.52
mp-540632
11.814375
7.346429
-0.789719
other
Rb2Ta2Ge6O18
28
188
456.32
mp-540635
11.65836
7.362201
-0.932609
other
Ba2Sn2Ge6O18
28
188
443.89
mp-18502
12.751667
6.305419
-0.764573
other
Ba2Si6Sn2O18
28
188
403.92
mp-859117
12.513983
7.419502
-7.14935
other
Li2Ni2P6O18
28
188
344.77
mp-540631
11.833286
7.301373
-0.805318
other
K2Ta2Ge6O18
28
188
447.32
mp-1214228
12.886586
6.222165
-0.554584
other
Ba2Zr2Si6O18
28
188
417.14
mp-17229
8.930272
0.98951
1.414055
other
Rb2Be6Zn2F18
28
188
391.3
mp-1211746
13.056643
6.249565
-6.399724
other
K2Cd2P6O18
28
188
426.61
mp-18509
8.945571
1.046382
1.386096
other
K2Be6Zn2F18
28
188
377.54
mp-26937
13.718932
7.24291
-6.931304
other
Li2Mn2P6O18
28
188
358.3
mp-1192408
13.057365
7.12926
-6.989279
other
K2Co2P6O18
28
188
390.05
mp-754784
8.201797
14.653819
-1.161622
other
Li4Mn6Co2O16
28
186
284.75
mp-1048108
12.809701
10.033407
1.639348
other
Ba2Ti8Al2O14
26
186
326.48