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-2371810
11.184195
12.340158
-3.553383
other
V1Cu1O3
5
8
81.02
mp-1227019
-6.927033
-1.502496
5.70007
other
Ce2Mn7Al10
19
8
294.42
mp-645295
8.975388
4.015059
-7.277421
other
Na4C1O4
9
8
111.14
mp-776195
11.776402
13.392527
-2.193668
other
Ti3V5O16
24
8
274.34
mp-1188529
8.771262
14.756009
-0.93047
other
Mn7Bi1O12
20
8
219.21
mp-676349
-5.047609
-2.781292
-4.147529
other
Ga7Cu3Se12
22
8
532.19
mp-625381
13.239092
7.182973
-3.667482
other
V2H3O5
10
8
85.9
mp-1220709
10.886991
10.872247
1.510228
other
Nb3Sb3O13
19
8
306.72
mp-1105876
8.713832
9.034938
-0.10626
other
Cs6Fe2O5
13
8
337.01
mp-673663
-3.470899
-3.893697
0.659265
other
Cu2Ge4P6
12
8
304.48
mp-1185660
-6.323117
-8.543509
5.815951
other
Mg16Al12F1
29
8
583.69
mp-531782
12.581841
7.558125
0.558219
other
Mg4Al24O40
68
8
656.96
mp-1316892
9.987033
13.092469
-1.441007
other
Ti4Cr4O16
24
8
274.48
mp-1277859
9.86462
14.077448
-0.05745
other
Li2Mn6O8
16
8
171.34
mp-1181856
8.989447
10.751193
-1.260863
other
Fe1Bi1O3
5
8
109.19
mp-685982
10.375539
9.063679
0.414429
other
Mg10In20O40
70
8
915.94
mp-2219808
6.100699
12.201774
-1.570101
other
Mg1Ni4O8
13
8
162.36
mp-778681
11.910311
13.009253
-2.347305
other
V3Sn1O8
12
8
153.58
mp-1100804
9.127131
2.995211
1.527013
other
Zr4Cr4F6
14
8
241.88
mp-1401310
5.939759
12.539088
-1.564518
other
Mg1Ni4O8
13
8
133.88
mp-1217397
-6.84725
-1.124432
4.201939
other
Ti2Co4Si2
8
8
104.48
mp-1245815
1.018689
2.354816
1.96545
other
K1Cr1N1
3
8
52.41
mp-752615
7.576467
11.706087
-0.656199
other
Li4Cu3O6
13
8
143.31
mp-755402
11.458968
13.398577
-2.991566
other
V3Cr1O8
12
8
144.32
mp-1185682
-6.004692
-8.343874
5.659595
other
Mg16Al12Pb1
29
8
595
mp-1220503
-5.045666
-0.772345
-3.235917
other
Nb3W1Se8
12
8
275.15
mp-690962
-4.020677
-0.192561
-3.531207
other
Nb24Cu5S40
69
8
1,282.14
mp-778594
10.353701
12.635791
-3.808551
other
Na2V6O15
23
8
299.25
mp-754610
-1.165504
2.047909
-1.899375
other
Sr3Ca1I8
12
8
511.48
mp-1100838
8.251758
13.325023
-1.046861
other
Zn10Fe20O40
70
8
784.25
mp-28790
-4.01886
-1.410403
-6.016598
other
Al26Tl6S42
74
8
1,766.62
mp-1324769
13.006263
10.630932
-0.068649
other
Zn8Mo16O32
56
8
719.61
mp-1226193
-5.567825
-1.347651
1.968847
other
Cr1P8W3
12
8
172.48
mp-771316
10.14762
13.092514
-1.257086
other
Cr5Sb3O16
24
8
289.97
mp-676566
-5.652442
-2.812824
2.185972
other
Li6Nb6As12
24
8
439.31
mp-1365585
8.92273
14.810005
-0.431882
other
Mg8Mn16O32
56
8
625
mp-1217383
-6.060654
-2.636608
-1.32909
other
Te8Pd5Se2
15
8
367.06
mp-758513
9.412561
8.910258
0.242072
other
Na22In5O15
42
8
704.12
mp-762351
10.705286
12.702968
1.87538
other
Li4Ti7O16
27
8
290.29
mp-530459
12.418521
7.775963
-0.457402
other
Al20Ni10O40
70
8
670.81
mp-678801
7.453561
12.056433
1.96946
other
Pr7Mn8O24
39
8
476.64
mp-676728
-4.957831
-5.11238
0.264118
other
Cd6Sn6As12
24
8
726.78
mp-1227240
12.886688
10.644432
2.302528
other
Ca3Nb12O24
39
8
491.84
mp-1016145
8.460252
14.686039
-0.875395
other
Ca1Mn3O6
10
8
118.49
mp-1216790
9.850533
11.729638
-4.019114
other
V2Mo1O8
11
8
143.83
mp-756087
10.802627
13.189157
-3.59155
other
Mn1V3O8
12
8
145.65
mp-1232870
-5.568506
-0.264457
-5.863497
other
Cr4Ag4S8
16
8
293.92
mp-1228719
-7.062024
-1.519424
6.277276
other
Al37Fe12Cu2
51
8
706.14
mp-35712
11.720105
7.962846
-0.128136
other
Mg6Ga12O24
42
8
444.12
mp-1173636
-5.462013
-2.06075
-1.552753
other
Nb24Ge7Te48
79
8
2,206.91
mp-1235817
6.664119
12.612961
-1.405343
other
Li1Ni9O13
23
8
228.76
mp-685352
2.002425
2.106674
1.369402
other
Ca48N24F24
96
8
1,534.57
mp-1044828
10.750346
9.255277
0.475019
other
Ca6Sn12O24
42
8
676.68
mp-756095
7.202098
10.532267
-0.638896
other
Na1Cu3O4
8
8
103.82
mp-1403563
10.246908
13.537816
-1.057558
other
Ca1Cr4O8
13
8
145.06
mp-780473
11.250737
0.24162
1.443711
other
Mn12O2F22
36
8
433.59
mp-1220583
-4.166625
0.112726
-4.148176
other
Nb5V3S20
28
8
565.81
mp-672213
-6.109699
-4.175673
0.670678
other
Eu1As2Pd2
5
8
100.56
mp-1397292
10.258541
10.856479
-3.529556
other
Mo1W1O6
8
8
116.8
mp-998535
1.353091
2.358222
-5.248586
other
In1Pb1Cl3
5
8
190.94
mp-1220089
-6.035339
-2.522499
0.721868
other
Ni4Ge3As9
16
8
291.12
mp-1539137
-5.517598
-0.122552
-5.573423
other
Rb1Cr5S8
14
8
260.14
mp-1392855
8.466849
14.706956
-1.204028
other
Ca1Mn4O8
13
8
148.32
mp-1354917
12.931605
12.380189
-0.579007
other
Mg6V12O24
42
8
470.3
mp-1191256
-4.824894
-5.378696
0.605785
other
Ca10Cd5As10
25
8
623.7
mp-1364572
10.817433
9.504348
0.131409
other
Ca8Sb16O32
56
8
934.46
mp-551267
8.288487
4.501002
-6.55114
other
Rb4C1O4
9
8
220.93
mp-998231
1.411173
2.510784
-5.736437
other
K1Ge1Cl3
5
8
153
mp-38102
8.575862
1.075331
1.556067
other
Na3Ce1F7
11
8
159.8
mp-1224099
-8.085301
-4.71976
5.679507
other
Ho2Ga3Ni1
6
8
111.81
mp-998176
-0.276993
1.232585
-4.433585
other
Rb1Pb1Br3
5
8
214.23
mp-676314
10.23027
9.910528
3.366576
other
Dy20Ti12O54
86
8
1,109.84
mp-1233225
8.658136
14.883237
-0.841963
other
Mg1Mn3O6
10
8
107.57
mp-773741
13.144388
0.586983
1.701937
other
Fe8O6F10
24
8
282.91
mp-1041104
12.820371
10.597732
0.220007
other
Ca6Mo12O24
42
8
604.28
mp-1217639
-2.640079
-2.816192
-5.276862
other
Tb4Ce1S7
12
8
280.68
mp-1224725
-5.695115
-1.642144
-2.855164
other
Fe2Ni1Se4
7
8
115.68
mp-532119
6.718977
13.693788
-1.783966
other
Mg8Co16O32
56
8
553.74
mp-1370897
1.51253
1.830907
1.221745
other
Ca11Fe2N10
23
8
414.81
mp-758206
9.976812
13.075863
-0.759408
other
Fe35Si1O48
84
8
943.11
mp-1238960
8.918971
3.495922
-7.821619
other
Li4C1O4
9
8
86.08
mp-754606
5.118762
11.115873
-2.312451
other
Fe6O11F1
18
8
191.5
mp-1047990
7.475383
8.825669
-0.886912
other
Ca1Bi4O8
13
8
221.67
mp-1363159
10.661823
9.358514
0.520195
other
Ca8Sn16O32
56
8
904.25
mp-1666509
13.111428
11.443403
0.045013
other
Ca2V10O14
26
8
288.11
mp-998623
8.560404
1.172164
1.077596
other
Tl1Cd1F3
5
8
86.53
mp-755105
8.394223
14.657661
-1.745767
other
Mn6O11F1
18
8
180.84
mp-753048
10.500828
12.012561
1.716198
other
Ti3Sn3O12
18
8
211.53
mp-761074
8.092275
14.454713
-1.196167
other
Na7Mn10O24
41
8
488.86
mp-1802603
8.397735
10.249403
-3.618451
other
Cr1W1O6
8
8
109.74
mp-1227685
-7.447993
-6.982896
3.714966
other
Ca2Zn3Ag1
6
8
127.6
mp-1185721
-6.053311
-8.342881
5.658996
other
Mg16Al12Zn1
29
8
576.84
mp-755017
10.449869
12.898457
-3.702921
other
V3Co1O8
12
8
144.58
mp-775863
1.820007
1.730569
2.775066
other
Zr12N12O6
30
8
376.42
mp-1218033
-4.329656
0.208851
-3.829242
other
Ta3Mo1S8
12
8
239.34
mp-771391
8.809572
13.531016
-1.525033
other
Mn5Sb3O16
24
8
293.44
mp-1216124
-2.698777
-2.704871
-5.755483
other
Y4Cr1S7
12
8
260.25
mp-1183035
-5.242662
1.091252
-4.330955
other
Al1Mo4S8
13
8
316.89
mp-1215781
-8.329909
-6.070419
3.006157
other
Yb4Ge3Au5
12
8
257.24
mp-663190
-3.934485
-1.272301
-4.571661
other
Rb2Pd3S4
9
8
235.05