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-1100530
7.124875
19.618784
-0.128196
other
Li9Mn7O16
32
2
299.63
mp-1182611
-6.532207
1.199742
-4.462936
other
Mo6Pb1Se8
15
2
372.03
mp-1829192
10.403565
0.126702
0.480487
other
Mg2Mn2F10
14
2
184.19
mp-1643648
7.037948
19.559549
-0.193818
other
Li14Mn10O24
48
2
443.81
mp-683170
9.898375
4.759276
-6.253429
other
Cu4S2O8
14
2
187.94
mp-1181816
10.060642
12.632886
-0.463846
other
Mn2Sn2O6
10
2
177.69
mp-1209349
-2.836978
0.800699
-3.877755
other
Re12S16Br12
40
2
1,087.18
mp-29589
-2.407978
0.074367
-3.782794
other
Ta6Se16Br12
34
2
1,016.05
mp-1212697
7.056412
6.465244
-3.945449
other
K4Mo4O30
38
2
786.31
mp-779595
5.43703
12.259045
-2.469568
other
Fe10O14F6
30
2
330
mp-1232287
-2.715156
-2.517452
-5.734365
other
Pm8Mg4S16
28
2
776.42
mp-542666
7.83171
10.016868
-3.829389
other
K8Cr8O28
44
2
715.44
mp-1178776
6.230998
5.530231
-4.407413
other
Y2N6O28
36
2
576.86
mp-1192633
7.344216
6.584138
-4.352541
other
Fe3P2O16
21
2
318.8
mp-30162
10.950568
11.125782
-1.875341
other
La4W4O18
26
2
351.23
mp-1020122
10.224648
4.56369
-6.949608
other
Mg2S4O14
20
2
266.98
mp-997036
7.952969
10.04598
-1.172195
other
Cd2Au2O4
8
2
116.26
mp-1214347
8.599116
1.549796
1.79786
other
Ca3Sn1F6
10
2
189.14
mp-758441
6.084548
13.110729
-1.392605
other
Li4Ni5O10
19
2
182.62
mp-675710
11.293364
8.790858
1.015682
other
K4U4O14
22
2
366.65
mp-554533
11.089835
10.922552
-3.75757
other
Hg4Mo4O14
22
2
331.62
mp-1173613
-5.430825
-2.599601
-1.459051
other
Nb4Si2Te8
14
2
652.14
mp-1175472
4.193542
19.469114
-1.825064
other
Li9Co7O16
32
2
286.53
mp-1195850
8.680197
8.020655
-4.336138
other
Zn9As6O28
43
2
587.91
mp-803475
7.443837
7.162776
-2.430493
other
Ti2Mn18O40
60
2
698.38
mp-1246408
0.362265
2.451349
1.935452
other
Mn8Ru2N8
18
2
179.6
mp-1175488
4.449295
19.180931
-1.812824
other
Li9Co7O16
32
2
280.11
mp-1245914
4.295569
2.296984
-3.323082
other
Co4C8N8
20
2
328.78
mp-675290
-4.596249
-0.997844
-2.987218
other
Nb9Ir1Se20
30
2
712.82
mp-722400
-4.770871
-5.306622
0.711173
other
Li10Ti2As6
18
2
332.55
mp-1237474
9.274356
1.65478
1.001668
other
Li3Sb1F6
10
2
129.01
mp-753800
8.581273
2.091927
0.354958
other
Nb4O4F12
20
2
386.03
mp-1245902
1.015416
2.22137
1.790566
other
Ru6Pb6N10
22
2
365.94
mp-1202601
8.43964
6.439981
-4.042675
other
Ni2B12O36
50
2
691.52
mp-705024
12.59624
8.98054
-7.463243
other
V4P8O28
40
2
553.89
mp-1041671
11.074173
11.004449
-2.789824
other
Sn1W2O8
11
2
170.63
mp-560888
10.230172
10.855366
-3.778877
other
Cu2Mo2O8
12
2
141.07
mp-934429
7.53933
4.991324
-1.754547
other
V4P6O24
34
2
449.63
mp-886845
7.483096
5.045875
-1.847951
other
Cr4P4O20
28
2
381.66
mp-760273
8.661133
1.070447
-0.278631
other
Li8Ag16F40
64
2
961.73
mp-1213055
8.578581
1.143081
-0.399125
other
Cu1Pb1F6
8
2
109.23
mp-559537
13.000587
5.909959
-6.50186
other
Ca8P12O38
58
2
745.06
mp-26564
9.398204
7.993371
-5.860937
other
Fe2P4O14
20
2
266
mp-772206
11.375053
11.131501
-2.788939
other
Hg4W4O14
22
2
332.17
mp-1181758
7.460225
6.129964
-4.341302
other
Mn2B8O32
42
2
731.07
mp-1029863
1.077908
2.341663
1.762105
other
K30Re14N38
82
2
1,628.01
mp-28330
1.942541
2.706042
-4.58755
other
Te2Au2Cl14
18
2
541.5
mp-530696
1.831177
1.928026
1.113633
other
Ca40H15N20
75
2
1,311.72
mp-1394133
7.537339
4.989209
-1.76098
other
Re1W2O8
11
2
161.73
mp-1182427
9.05527
6.925423
-3.386117
other
Ca9Si6O32
47
2
710.04
mp-1174237
4.127041
19.632647
-1.779564
other
Li8Co6O14
28
2
252.42
mp-770496
8.699492
14.793911
-0.45205
other
Mg4Mn6O14
24
2
267.43
mp-580748
-2.718468
0.591991
-3.528088
other
Re6Se8Cl2
16
2
374.04
mp-1175316
6.996665
19.773979
-0.186421
other
Li7Mn5O12
24
2
220.66
mp-1100546
7.097589
19.686213
-0.124377
other
Li9Mn7O16
32
2
296.74
mp-557683
13.715945
4.758556
-2.304875
other
Zn12B8O24
44
2
523.6
mp-1212310
-8.090232
-4.315969
4.525785
other
Ho4Al24Pd9
37
2
625.28
mp-754462
8.090129
2.054509
-0.919261
other
Sb2Te4F12
18
2
371.21
mp-675326
-4.560929
-0.958966
-3.101165
other
Nb4Ir1Se10
15
2
365.47
mp-990265
8.106511
3.662809
-1.010405
other
Cu1Sn1F6
8
2
113.63
mp-1222437
9.328488
13.860512
-0.802023
other
Mn10Fe8O24
42
2
493.36
mp-770614
6.641689
12.555762
-1.677722
other
Tl4Co4O12
20
2
228.34
mp-1247294
1.498659
1.90848
1.419917
other
Ca8Mn2N8
18
2
273.2
mp-988484
7.862367
5.241144
-1.620717
other
Si8Ag20O26
54
2
773.06
mp-504598
9.005264
8.401852
-0.148973
other
Rb8Pb4O8
20
2
505.5
mp-686281
7.028175
8.419539
-1.058375
other
Na48Tb24O72
144
2
1,757.56
mp-675519
-4.669126
-2.835156
-4.004859
other
Tl6In14Se20
40
2
1,173.18
mp-29185
10.361784
9.160863
-2.152168
other
Te4O6F4
14
2
204.29
mp-1247130
0.314547
2.121764
2.172844
other
Ti2Cr8N8
18
2
173.4
mp-666670
7.671609
5.538872
-1.870126
other
Na8Te2O10
20
2
256.3
mp-1246073
1.790682
1.692162
1.38041
other
Sr8Sn2N8
18
2
356.98
mp-30146
8.84257
1.877943
1.330405
other
Ca2Sn4F12
18
2
295.87
mp-804103
7.495096
5.186179
-1.694649
other
Li16Cr4O20
40
2
355.66
mp-1831398
11.359547
11.810999
0.461236
other
Mg4Mn4O8
16
2
207.52
mp-569824
1.474901
2.726419
-4.578531
other
Te4W2Cl12
18
2
574.56
mp-1045454
-5.28373
-0.856261
-4.620777
other
Zn2Ni4S8
14
2
232.29
mp-1200467
-2.489461
-0.8051
-5.305397
other
Cs8B18S18
44
2
1,086.51
mp-781055
11.828581
1.332409
2.684415
other
Fe6O2F10
18
2
223.64
mp-726336
6.64483
6.073516
-3.72351
other
Ba2I2O10
14
2
286.43
mp-574029
4.463836
2.236563
-3.21178
other
K2C8N6
16
2
307.77
mp-1181739
9.389775
2.302084
1.133982
other
Cr1Mo1F6
8
2
131.64
mp-1216902
10.087523
12.609052
-4.062413
other
V12Cu2O30
44
2
562.76
mp-1102961
1.6371
2.338282
-5.253009
other
Al2Cd2Cl8
12
2
352.7
mp-28162
9.755312
12.33387
-4.011791
other
V6Ni3O18
27
2
289.31
mp-2217359
9.432711
14.453907
-0.189465
other
Mg1Mn4O6
11
2
125.33
mp-1651001
7.018578
19.62817
-0.190626
other
Li14Mn10O24
48
2
442.54
mp-697742
10.123708
8.252028
-6.950342
other
Mn2P4O14
20
2
250.75
mp-28740
12.558999
11.539394
1.981634
other
Sr2Ti22O40
64
2
697.7
mp-1100520
7.204134
19.416916
-0.136528
other
Li9Mn7O16
32
2
299.57
mp-753253
10.485932
0.232948
0.185144
other
Li2Mn4F14
20
2
293.81
mp-1104301
1.377176
2.426797
-5.654314
other
K3Pb2Cl8
13
2
516.84
mp-28299
8.76358
6.91206
-3.598892
other
U4Se8O28
40
2
686.76
mp-560865
8.15475
3.797246
-1.386452
other
Zr1Cu1F6
8
2
129.64
mp-753849
14.05548
11.970603
-2.287029
other
V4O4F8
16
2
208.64
mp-1101586
10.57438
7.998758
-6.945771
other
Co4P12O36
52
2
697.63
mp-1245661
0.685135
2.462825
1.896407
other
Pb6W6N10
22
2
394.7
mp-1238816
-5.599434
-0.318041
-5.78351
other
Cr8Cu4S16
28
2
532.73
mp-1569263
11.646425
-0.43835
0.265201
other
Mn6O4F12
22
2
265.37
mp-1192919
6.844854
5.989258
-3.995454
other
Cu2S2O18
22
2
324.46
mp-31060
-2.360806
-0.835529
-5.449923
other
Rb8B18S18
44
2
994.52