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-758198
9.788629
12.339098
-3.97197
other
V8Ag6O24
38
1
509.16
mp-1182152
10.384225
6.235682
-4.24982
other
Fe16H16O32
64
1
670.86
mp-655586
6.249647
5.7783
-3.897145
other
Na4Cl4O12
20
1
388.61
mp-1200695
14.180594
7.286994
-4.867673
other
U4P8O28
40
1
674.17
mp-2218887
12.715184
13.139429
-1.066819
other
Mg1V4O8
13
1
145.19
mp-774922
10.966528
11.282521
1.678658
other
Ti3Te1O8
12
1
216.2
mp-776960
8.609735
15.187654
-1.63004
other
Mn8O13F3
24
1
249.24
mp-674947
1.877157
1.759153
2.825904
other
Zr16N16O8
40
1
523.03
mp-776574
12.458324
12.554387
-3.940756
other
V6O9F9
24
1
296.3
mp-531163
11.450411
9.20452
2.861502
other
Nd12Zr12O37
61
1
930.72
mp-779609
10.633949
2.752868
1.471135
other
V8O2F22
32
1
433.65
mp-1444748
11.905323
12.205912
0.229537
other
Zn4Cr4O8
16
1
185.11
mp-1235366
6.671893
6.022192
-3.664965
other
Sr2Li1O12
15
1
203.61
mp-683059
-4.670422
-2.411414
-3.196561
other
Rb4Pd6Se8
18
1
518.22
mp-755979
9.727896
12.601533
-4.027827
other
V4Co2O12
18
1
204.55
mp-540998
-0.642277
1.234111
-4.153427
other
Fe2Te2Br14
18
1
634.91
mp-766394
13.088531
12.783897
-0.925575
other
V11Ni1O18
30
1
299.6
mp-1390191
12.530697
10.02705
0.632317
other
Ca4W4O8
16
1
217.44
mp-760912
14.177725
11.958306
-2.14771
other
V6O6F12
24
1
295.71
mp-754593
11.490808
0.764196
1.109389
other
Fe7O3F13
23
1
335.58
mp-673283
8.50791
4.696781
-3.215916
other
Ba8H16O16
40
1
525.5
mp-850945
8.739569
12.471413
-0.205341
other
Li47Ni8O32
87
1
811.61
mp-1219293
2.452878
2.424048
-4.543626
other
Si6N2Cl18
26
1
803.26
mp-776764
10.319298
1.934787
2.282579
other
Li2Fe4F10
16
1
200.07
mp-675446
9.966723
11.662757
0.222699
other
Na2Ru2O4
8
1
91.02
mp-1173634
8.901945
10.470414
1.895278
other
Pr10Ni5O22
37
1
502.8
mp-2237160
10.566607
8.207886
-5.022745
other
Fe4As2O11
17
1
190.32
mp-1180683
5.012917
-0.419129
-2.961427
other
Li6B2H12
20
1
177.54
mp-1217597
10.29625
13.069923
-0.735315
other
Ti4Fe12O24
40
1
469.58
mp-625578
10.243544
3.039092
-3.980368
other
H20Br4O8
32
1
363.16
mp-32055
12.9203
8.87929
-5.56582
other
Mo4P6O24
34
1
474.2
mp-776259
1.679362
1.805666
2.945501
other
Hf16N16O8
40
1
502.36
mp-1651230
4.358092
18.933239
-1.863113
other
Li14Co10O24
48
1
412.65
mp-1245032
10.999372
13.005076
-0.710389
other
Cr28Fe4O48
80
1
963.06
mp-1352074
10.829091
9.318136
-0.322157
other
Mg6Sb12O24
42
1
701.22
mp-2232372
7.036531
9.556572
-1.660971
other
Mg1Ag6O8
15
1
207
mp-626297
10.444719
3.702631
-4.078012
other
Ba2H32O20
54
1
483.17
mp-1331225
10.554873
9.949172
2.952512
other
Sr12Nb4O22
38
1
615.07
mp-757403
7.068895
10.304492
-0.496045
other
Na7Cu7O13
27
1
335.11
mp-667198
12.576694
9.935595
2.191474
other
Ti8Br8O8
24
1
543.48
mp-675170
-5.974895
-3.732264
-1.855774
other
Yb3Bi14Te24
41
1
1,372.08
mp-1226178
-5.98315
-0.60905
2.944127
other
Cr12B1P3
16
1
180.14
mp-704890
6.44199
10.963012
0.544347
other
Ba16Co14O38
68
1
1,075.73
mp-675509
9.571095
8.600708
-0.274317
other
Mg4Bi9O18
31
1
524.32
mp-675781
-5.557668
1.168632
-4.57738
other
Cu3Mo12S16
31
1
546.62
mp-849284
11.796391
-0.536153
1.178199
other
Mn12O5F19
36
1
455.4
mp-757340
12.518922
7.640296
0.378875
other
Al19Cr1O30
50
1
441.1
mp-676536
6.043446
8.968081
-1.516409
other
K18Bi18O54
90
1
1,606.25
mp-1177476
11.236567
13.518358
-2.556553
other
Li3V5O12
20
1
199.06
mp-752592
8.599989
15.149533
-1.661598
other
Mn6O10F2
18
1
187.24
mp-758582
9.222489
14.038884
-0.980326
other
Li10Cr10O24
44
1
435.83
mp-1194176
9.753761
7.26631
-2.687889
other
Al4Si4O18
26
1
369.04
mp-1041662
11.201838
10.88485
-2.783638
other
Te1W2O8
11
1
173.49
mp-1228775
10.01945
10.808846
1.286361
other
Ba6W2O12
20
1
365
mp-676799
-5.919167
-3.18525
-2.653457
other
Ag8Ge1Te6
15
1
412.45
mp-779979
1.682346
1.805243
2.939947
other
Hf16N16O8
40
1
502.6
mp-1173106
-5.972372
-3.61082
-1.621653
other
Tb8Cu3Te16
27
1
776.81
mp-766870
8.425838
14.763756
-1.625737
other
Mn5O9F1
15
1
183
mp-763023
7.770239
6.605574
-1.520958
other
Fe8O10F6
24
1
272.15
mp-1393463
3.402472
-0.713979
-2.520454
other
Mg1Al2H8
11
1
123.2
mp-1176824
9.659004
1.892027
-0.01461
other
Li9V8F48
65
1
880.48
mp-780461
12.801288
-1.149715
0.72514
other
Mn12O10F14
36
1
423.33
mp-676840
6.53753
9.026225
-1.40448
other
Ag26Pb12O36
74
1
1,214.86
mp-1375284
8.26465
5.666421
-1.62273
other
V4Cr4O12
20
1
209.94
mp-675048
9.609735
8.401723
2.910398
other
Sr6Nd8O18
32
1
552.52
mp-1290856
7.355264
12.615411
-2.308025
other
Co6Te2O16
24
1
311.06
mp-685468
9.605277
8.650626
-0.482398
other
Cr2Bi28O47
77
1
1,347.62
mp-2210606
6.592097
12.677638
-1.70667
other
Mg1Co2O4
7
1
87.67
mp-1652820
7.004286
19.611118
-0.206143
other
Li7Mn5O12
24
1
222.32
mp-760679
9.423759
0.87792
-0.668365
other
Cu6O2F10
18
1
204.52
mp-1235382
14.555757
6.537688
-0.439152
other
Li1Si6O12
19
1
257.02
mp-1182260
10.658652
5.733852
-4.337257
other
Fe16H20O34
70
1
680.09
mp-698576
10.878097
13.039015
-0.276908
other
Ti6Fe10O24
40
1
433.38
mp-531804
8.393375
14.836693
-1.004257
other
Li9Mn15O32
56
1
584.16
mp-1407844
9.371225
12.744034
-0.531033
other
Mg4Co4O8
16
1
191.46
mp-1225005
-5.550535
-0.829891
-4.233162
other
Fe8Cu4S12
24
1
330.86
mp-1181523
8.81527
5.041157
-5.312416
other
Gd2S3O12
17
1
277.62
mp-626114
11.405172
8.90705
0.590354
other
U3H2O10
15
1
216.08
mp-759816
9.995144
2.460543
1.554006
other
Li6V6F24
36
1
487.34
mp-752489
9.503193
1.014257
-0.981472
other
Co4O1F11
16
1
197.61
mp-752781
12.783514
-1.168174
0.881045
other
Mn6O5F7
18
1
215.51
mp-1274992
12.801551
13.123543
-0.875228
other
Na6V10O20
36
1
436.93
mp-936895
8.553941
5.741265
-0.907314
other
V1Fe2Se4
7
1
121.56
mp-778183
12.260446
-0.920276
0.896778
other
Mn12O7F17
36
1
439.23
mp-686372
8.526317
1.108926
0.205341
other
Na34Pd30F96
160
1
2,373.11
mp-1219432
-7.72078
0.890028
5.120196
other
Sm4Ga3Fe31
38
1
530.5
mp-1178282
5.214069
11.774194
-2.38804
other
Fe10O16F4
30
1
324.46
mp-685232
9.818113
13.109038
-0.916161
other
Ti8Fe35O64
107
1
1,250.02
mp-1267080
9.027585
7.678198
-3.071865
other
Si16Ni8O48
72
1
1,051.56
mp-728514
7.11311
14.638843
-1.422472
other
Li9Co9O17
35
1
326.74
mp-685456
8.711804
13.007402
-1.156235
other
Fe14Ni11O32
57
1
619.71
mp-685907
9.502032
8.744421
-0.100068
other
Cd16Bi8O28
52
1
865.32
mp-849294
12.872089
-0.794264
0.313363
other
Mn8O8F8
24
1
271.65
mp-849307
13.357399
0.430864
1.200286
other
Fe10O9F11
30
1
352.46
mp-755101
11.932669
0.734349
-0.125979
other
Fe6O7F5
18
1
204.25
mp-776095
8.597982
15.13498
-1.665032
other
Mn6O10F2
18
1
186.51
mp-1178844
3.361198
3.4121
-4.239976
other
Zn4Cl10O4
18
1
489.91
mp-758861
9.421418
0.622322
0.945603
other
Li24Ag8F32
64
1
820.09
mp-1217521
10.706984
10.612775
-2.182518
other
V6Bi12O33
51
1
755.44
mp-686230
10.313114
11.966887
2.264242
other
Li40Nb38O120
198
1
2,246.29