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-775781
8.224067
4.892723
-6.735516
other
Na8Co4C8S2O32
54
70
689.92
mp-770560
8.787719
4.007705
-7.23734
other
Na8Cr4C8S2O32
54
70
673.29
mp-782637
8.509738
4.351636
-7.23042
other
Na8Cr4P2C8O32
54
70
672.53
mp-781611
8.349188
4.269559
-7.25907
other
Li8Fe4C8S2O32
54
70
616.25
mp-850975
8.212408
5.010583
-6.665975
other
Na8Ni4C8S2O32
54
70
682.66
mp-782649
8.198155
4.88006
-7.079984
other
Na8Mn4P2C8O32
54
70
694.77
mp-778605
8.156529
5.313766
-6.596644
other
Na8Ni4P2C8O32
54
70
684.7
mp-778016
13.035948
8.44839
-7.868351
other
Li12Mn4V4P12O48
80
70
861.46
mp-768991
8.886448
3.768679
-7.180137
other
Li8Bi4C8S2O32
54
70
696.97
mp-779161
9.275914
6.849237
-4.491421
other
Na8Bi4B8S2O32
54
70
751.39
mp-776347
8.713224
3.696166
-7.540324
other
Li8V4C8S2O32
54
70
617.01
mp-768968
12.948752
5.174158
-3.319654
other
Li8B8Sb4S2O32
54
70
640.56
mp-778206
8.534681
4.30822
-7.182511
other
Na8Fe4C8S2O32
54
70
680.03
mp-779142
8.321296
4.767524
-6.747147
other
Na8Cu4C8S2O32
54
70
664.01
mp-768876
8.23106
4.598509
-6.491822
other
Na4Bi4C8S2O32
50
70
826.76
mp-771217
8.133262
5.228836
-6.614652
other
Na8Co4P2C8O32
54
70
692.14
mp-2217717
12.046529
9.871849
1.666176
other
Ba2Mg1Nb1V1O6
11
71
166.95
mp-1046607
8.600236
11.383129
1.835767
other
Y2Mg1Mn2S2O5
12
71
177.19
mp-697121
10.13305
3.114957
-3.715552
other
Mg1Zn2H12Br6O6
27
71
455.83
mp-2217319
10.721234
9.064444
1.730493
other
Ba2Y1Mg1Sb1O6
11
71
191.92
mp-2217785
2.627815
2.749932
-4.388951
other
Mg1Sb1S2N1Cl6
11
71
408.7
mp-2234097
11.720899
9.452081
2.254263
other
Ba2Er1Mg1Nb1O6
11
71
172.93
mp-2223685
11.745059
9.46412
2.227645
other
Ba2Tm1Mg1Nb1O6
11
71
171.04
mp-2217969
11.000779
9.103644
1.642348
other
Sr2Y1Mg1Sb1O6
11
71
184.17
mp-2218091
10.545829
9.010213
1.799459
other
Ba2Tb1Mg1Sb1O6
11
71
192.76
mp-1227327
11.622755
13.303762
-1.638741
other
Ca1Mn2V4Cu1O12
20
71
207.76
mp-2240190
11.217276
9.532954
2.433657
other
Ba2Yb1Mg1Nb1O6
11
71
175.5
mp-1194093
8.169991
0.792168
-4.559986
other
H16Pt1C4N2Cl6
29
71
450.22
mp-2222894
11.549427
9.518629
2.098577
other
Ba2Mg1Nb1In1O6
11
71
202.28
mp-2242140
11.307567
10.544699
1.001555
other
Ba2Mg1Co1Mo1O6
11
71
176.43
mp-1235911
10.961211
8.954193
2.489981
other
Sr2Li1Yb1U1O6
11
71
171.12
mp-1235947
8.423351
9.978078
1.558437
other
Ba2Li1Tb1Ir1O6
11
71
158.79
mp-2217907
11.737059
10.288459
0.957004
other
Sr2Mg1Zn1W1O6
11
71
163.71
mp-2217568
11.713073
9.469298
2.243873
other
Ba2Dy1Mg1Nb1O6
11
71
175.09
mp-2226684
10.697416
9.016475
1.825626
other
Ba2Lu1Mg1Sb1O6
11
71
185.37
mp-2215906
10.366145
9.874438
1.631641
other
Ba2Ho1Mg1Ru1O6
11
71
166.56
mp-2222944
10.39639
9.92613
1.629706
other
Ba2Lu1Mg1Ru1O6
11
71
161.95
mp-1180441
4.409555
2.748996
-3.484386
other
Mn1Au2C4N4O2
13
71
204.38
mp-644527
11.918756
9.901196
2.541059
other
Li1Y2Ti2S2O5
12
71
170.7
mp-2217736
12.044098
10.5024
0.255283
other
Mg1Mo1Os1Pb2O6
11
71
152.16
mp-2227606
9.988504
2.625828
-2.50527
other
Mg1Cu1H4O2F2
10
71
116.72
mp-1235222
11.406908
9.542681
2.59507
other
Sr2Li1La1Ta1O6
11
71
172.74
mp-2223652
11.873471
9.959452
1.686794
other
Sr2Mg1Zr1V1O6
11
71
159.69
mp-2217803
10.410328
10.124537
2.183486
other
Sr2Y1Mg1Cr1O6
11
71
158.41
mp-2217773
9.343369
10.061671
1.511458
other
Ba2Yb1Mg1Ru1O6
11
71
168.21
mp-2217583
11.031272
9.971864
2.42467
other
Sr2Hf1Mg1Cr1O6
11
71
169.11
mp-2217936
11.903831
10.302026
0.85398
other
Ba2Mg1V1Mo1O6
11
71
158.73
mp-1227223
11.515448
13.379307
-1.927196
other
Ca1Mn1V4Cu2O12
20
71
205.37
mp-2222849
10.619361
9.040842
1.758344
other
Ba2Dy1Mg1Sb1O6
11
71
191.51
mp-2227127
9.789594
8.693167
2.037434
other
Ba2Y1Mg1Bi1O6
11
71
196.87
mp-2226827
11.7138
9.450774
2.194542
other
Ba2Sm1Mg1Nb1O6
11
71
179.25
mp-2223880
11.186009
10.934296
0.906081
other
Ba2Mg1V1Fe1O6
11
71
171.02
mp-1229255
10.738646
10.185328
1.935948
other
Ba2Sr1Ta6Bi6O27
42
71
592.19
mp-2222926
11.441445
10.467352
0.661514
other
Ba2Mg1Ni1W1O6
11
71
179.48
mp-2217605
10.679761
9.011176
1.818776
other
Ba2Er1Mg1Sb1O6
11
71
188.89
mp-1227505
11.450562
13.254738
-2.018668
other
Ca1V4Co1Cu2O12
20
71
203.98
mp-2222850
7.31208
11.282515
1.084023
other
Sr2Mg1Fe1Co1O6
11
71
152.31
mp-2217759
10.042375
10.131399
2.642629
other
Sr2Mg1Zr1Co1O6
11
71
164.72
mp-2242068
10.505918
9.040841
1.727548
other
Ba2Gd1Mg1Sb1O6
11
71
194.44
mp-2218068
10.477467
9.903335
1.603065
other
Ba2Tm1Mg1Ru1O6
11
71
163.48
mp-2218098
11.32735
10.468463
0.971548
other
Ba2Mg1Fe1Mo1O6
11
71
164.98
mp-2241425
10.776065
9.913675
1.716888
other
Ba1Nd2Mg1Mn2O7
13
71
207.05
mp-2223109
11.638132
9.890081
1.776303
other
La2Mg1Ti1Ni1O6
11
71
157.05
mp-2240013
11.786292
10.208604
0.784433
other
Ba2Mg1Mn1W1O6
11
71
175.36
mp-2239855
10.997503
10.129134
2.201694
other
Sr2Mg1Zr1Mn1O6
11
71
167.33
mp-2217343
10.443539
9.134398
1.611022
other
Ba2Eu1Mg1Sb1O6
11
71
193.11
mp-1235690
9.163469
10.023904
1.695751
other
Ba2Li1Ho1Ru1O6
11
71
156.74
mp-2241191
11.717298
9.450933
2.260685
other
Ba2Lu1Mg1Nb1O6
11
71
170.11
mp-2217832
10.305907
9.82767
1.591858
other
Ba2Nd1Mg1Ru1O6
11
71
175.17
mp-1223250
10.889563
8.069622
2.494687
other
La2Mn1Fe1Se2O3
9
71
164.22
mp-2227298
11.098911
9.326553
1.275674
other
Sr2Mg1Ga1Sb1O6
11
71
164.19
mp-579086
10.84828
11.301425
3.123294
other
K2Sr2Nb4O12F2
22
71
347.15
mp-2226143
8.922066
10.571078
1.056379
other
Sr2Mg1Ni1Ru1O6
11
71
152.24
mp-1105330
0.443819
1.805218
-5.492078
original
Cs5U2S4I1Cl8
20
71
735.24
mp-2239868
11.910362
10.2432
0.70512
other
Ba2Mg1Fe1W1O6
11
71
179.71
mp-1235588
10.419627
10.54089
2.46758
other
Sr2Li1Zr1Cr1O6
11
71
141.79
mp-2223079
10.450191
9.898593
1.566827
other
Ba2Y1Mg1Ru1O6
11
71
167.75
mp-2218092
11.163425
10.574007
0.795503
other
Ba2Mg1Ni1Mo1O6
11
71
181.22
mp-2217632
11.615487
10.140311
0.944764
other
Ba2Mg1Zn1W1O6
11
71
175.28
mp-2240989
10.623339
9.014925
1.736067
other
Ba2Sm1Mg1Sb1O6
11
71
196.89
mp-2222805
10.656726
9.013149
1.787668
other
Ba2Ho1Mg1Sb1O6
11
71
190.31
mp-2222836
10.313046
9.621957
0.472519
other
Ba2Mg1Cu1Te1O6
11
71
186.69
mp-2215985
11.069074
9.94515
2.295109
other
Sr2Mg1Zr1Cr1O6
11
71
172.44
mp-2223125
11.109138
10.145252
2.032372
other
Sr2Hf1Mg1Fe1O6
11
71
159.22
mp-2217619
11.891376
9.583203
2.280339
other
Ba2Mg1Zr1Ti1O6
11
71
165.1
mp-2239862
11.509946
10.425778
1.080825
other
Sr2Mg1Zn1Mo1O6
11
71
162.63
mp-2217327
10.253067
9.843583
1.625127
other
Ba2Pr1Mg1Ru1O6
11
71
176.26
mp-2240232
10.134126
9.095866
1.691043
other
Ba2Yb1Mg1Sb1O6
11
71
181.7
mp-2217550
12.010405
10.569562
0.155404
other
Mg1Mn1Pb2W1O6
11
71
159.16
mp-2217885
10.417333
9.869964
1.634556
other
Ba2Er1Mg1Ru1O6
11
71
165.73
mp-2217634
11.284869
10.324749
1.888814
other
Sr2Mg1Ti1Fe1O6
11
71
149.47
mp-2226942
11.547887
10.399747
0.769811
other
Ba2Mg1Co1W1O6
11
71
175.77
mp-2224268
11.547025
10.34567
1.028693
other
Ba2Mg1Cr1Mo1O6
11
71
158.07
mp-2218002
11.422971
10.377389
1.101283
other
Sr2Mg1Fe1Os1O6
11
71
157.83
mp-1235139
9.183459
8.894525
2.293873
other
Ba2Li1Tb1Sn1O6
11
71
166.96
mp-2217348
11.708401
9.441354
2.246334
other
Ba2Ho1Mg1Nb1O6
11
71
173.7
mp-2217855
11.738429
9.469871
2.208194
other
Ba2Y1Mg1Nb1O6
11
71
174.57
mp-2227942
-4.011173
-4.303858
0.97223
other
La3Mg1Cu4P4O2
14
71
253.28
mp-644672
10.004954
3.158165
-3.985346
other
Cs3V1H8Cl6O4
22
71
462.49
mp-2217618
10.762716
10.007762
1.194363
other
Ba2Na1Mg1Re1O6
11
71
176.68