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-863015
8.33299
0.731284
-4.454001
other
Eu2H64C16N8Cl14
104
18
1,264.06
mp-1214717
10.209006
10.735808
-2.340012
other
Ba6Sr4Re6Cl2O30
48
185
805.19
mp-704116
12.777148
6.482782
-1.019173
other
K2Mn4Zn6Si24O60
96
184
1,327.6
mp-581138
11.420411
8.718291
-6.751843
other
Cs8Ti4V12P12O72
108
184
1,622.72
mp-1203774
11.408915
8.808501
-6.760819
other
Rb8Ti4V12P12O72
108
184
1,587.06
mp-568698
8.341411
0.705814
-4.473893
other
Mn4H60C18N6Cl14
102
186
1,196.9
mp-1192369
10.363766
8.333633
1.197967
other
Ba2Y2Zn6Ga2O14
26
186
372.66
mp-25729
10.479241
5.130414
-4.289824
other
H16W6Se2N4O24
52
186
588.06
mp-740711
5.25618
-0.318678
-2.971953
other
Cs6B12H24Se8Br2
52
186
949.9
mp-1227963
7.836581
10.430576
1.365154
other
Ba6Tm2Ir2Ru2O18
30
186
444.41
mp-1223502
10.991987
12.069832
-3.386154
other
K2Ba4V4Cl2O14
26
186
459.47
mp-1228216
7.836185
10.416775
1.343163
other
Ba6Pr2Ir2Ru2O18
30
186
473.03
mp-560660
7.301269
9.609498
0.709305
other
Ba8Eu8Zn6Pt2O30
54
186
829.42
mp-1212516
8.763391
2.36854
-4.59278
other
H24C4S4N12O12
56
186
657.8
mp-1228273
7.382842
10.531598
0.809328
other
Ba6Na2Ir2Ru2O18
30
186
448.25
mp-757858
10.455756
7.895236
-4.681253
other
V6Zn14H6S2O38
66
186
767.99
mp-1228110
9.793042
11.224723
1.958193
other
Ba6Ti2Zn2W2O18
30
186
432.85
mp-1238685
0.762953
2.10059
-5.204602
original
Ga2Hg6As2S2Cl8
20
186
608.36
mp-1227396
8.090343
10.364962
1.165925
other
Ba2Y2Zn6Co2O14
26
186
371.11
mp-556562
9.681099
2.603722
-2.669268
other
Li2As2H12O6F12
34
186
353.45
mp-1179387
8.884868
1.649142
-4.27452
other
Re2H24N6Cl8O6
46
186
594.36
mp-1181689
8.575209
3.617046
-6.971925
other
Cs6Ba8C6O18F10
48
186
914.09
mp-1228196
7.487245
10.51786
1.070313
other
Ba6Yb2Ir2Ru2O18
30
186
448.38
mp-1182538
13.025083
5.181097
-1.771716
other
Ba6Sr8B6O18F10
48
186
728.39
mp-1228219
7.799622
10.445573
1.361475
other
Ba6Tb2Ir2Ru2O18
30
186
454.69
mp-1228297
7.828826
10.426304
1.33687
other
Ba6Dy2Ir2Ru2O18
30
186
451.54
mp-9837
8.920761
8.86258
2.291141
other
Ba8Nd8Zn6Pt2O30
54
186
839.99
mp-1228020
7.855839
10.419961
1.335319
other
Ba6Y2Ir2Ru2O18
30
186
451.22
mp-9737
8.919406
8.861637
2.303246
other
Ba8Sm8Zn6Pt2O30
54
186
822.8
mp-1228398
7.807775
10.416379
1.352169
other
Ba6Ho2Ir2Ru2O18
30
186
449
mp-1228168
7.829992
10.42643
1.324172
other
Ba6Sm2Ir2Ru2O18
30
186
451.42
mp-1228390
7.829072
10.439308
1.385689
other
Ba6Er2Ir2Ru2O18
30
186
447.63
mp-1228241
7.859236
10.411491
1.321649
other
Ba6Nd2Ir2Ru2O18
30
186
467.57
mp-1228246
7.88194
10.40744
1.340478
other
Ba6La2Ir2Ru2O18
30
186
475.55
mp-695929
5.307096
-0.193126
-3.152977
other
Cs6B12H24S8Br2
52
186
849.58
mp-1194875
7.875412
0.288844
-4.465281
other
Fe2P2H24C8Cl8
44
186
757.66
mp-1228718
7.763084
10.496716
1.061603
other
Ba6In2Ir2Ru2O18
30
186
439.57
mp-1228204
9.894958
10.98148
2.17196
other
Ba6Ca2Ti2W2O18
30
186
467.46
mp-1228118
9.747275
11.136643
1.993141
other
Ba6Mg2Ti2W2O18
30
186
430.32
mp-554294
10.624616
4.177097
-7.185935
other
Na14Sn2S6O24F6
52
186
651.69
mp-1192501
10.453143
8.310579
1.294783
other
Ba2Sc2Zn6Ga2O14
26
186
349.33
mp-1228796
7.881012
10.402884
1.296575
other
Ba6Gd2Ir2Ru2O18
30
186
458.65
mp-1228318
7.24204
10.570258
0.838732
other
Ba6Li2Ir2Ru2O18
30
186
426.14
mp-1228300
7.766389
10.453959
1.352673
other
Ba6Lu2Ir2Ru2O18
30
186
441.15
mp-696998
2.114764
2.182768
-5.367088
other
K12Bi2H6Cl16F8
44
186
1,085.75
mp-1211354
-7.867133
-5.272746
5.895335
other
La6Al3Ni4Sn1Ru1
15
187
340.51
mp-677061
4.567739
2.561605
-3.420242
other
Cs3Mo1C6S3N6
19
187
569.35
mp-1228981
7.542459
10.878055
1.00415
other
Ba10Fe8Pt2Cl2O25
47
187
767.6
mp-1234679
8.944902
10.444246
1.492887
other
Ba6Pr2Mg1Ru4O18
31
187
488.76
mp-2239955
-6.571614
2.284161
-4.978293
other
Mg1Mo2W1Se4S2
10
187
280.34
mp-1216386
-8.08179
0.470999
4.475434
other
Y4Fe4Co12B3C1
24
187
291.5
mp-1220278
-8.173637
0.415969
4.563935
other
Nd4Fe4Co12B3C1
24
187
305.49
mp-863745
8.65714
3.699493
-7.130767
other
Rb1Sr1C1O3F1
7
187
121.72
mp-6867
8.561153
3.755337
-6.991048
other
K1Ca1C1O3F1
7
187
104.1
mp-865427
8.568707
3.697576
-7.032755
other
K1Sr1C1O3F1
7
187
116.58
mp-1182219
7.386191
5.265429
-5.0766
other
Li16Fe4C24Cl4O84
132
188
1,960.16
mp-1222250
10.769942
4.830539
-4.05966
other
Mg4Al2H12C1O18
37
189
369.72
mp-1190296
8.64164
3.736124
-7.399519
other
Rb3Mg3C3O9F3
21
189
292.77
mp-861440
8.666279
3.75962
-7.193749
other
Rb3Ca3C3O9F3
21
189
323.44
mp-862701
8.637322
3.78201
-7.138593
other
Cs3Ca3C3O9F3
21
189
351.6
mp-1202625
14.086892
4.779104
-1.991163
other
Ba2Nd2Al3B12O27
46
189
493.39
mp-1214628
7.466086
6.466957
-4.35433
other
As4H1N2Cl2O6
15
191
290.96
mp-1173467
12.98656
6.267257
-0.68847
other
Rb2Na2Mg10Si24O60
98
190
1,323.75
mp-557407
8.631387
3.72191
-7.020194
other
K6Na2U2C6O22
38
190
640.62
mp-558491
13.488914
4.985795
-1.866455
other
Ba2Al2B2O6F4
16
190
193.61
mp-1194539
1.170468
2.232234
-5.55745
other
Al4Ag4Bi4S6Cl16
34
190
970.26
mp-758632
7.453618
2.011686
-4.303237
other
Na6H12C12N18O6
54
190
606.57
mp-1204717
10.182274
4.223037
-4.792991
other
Ca6Mn2H24S4O34
70
190
698.64
mp-690914
12.969481
6.268595
-0.689756
other
K2Na2Mg10Si24O60
98
190
1,315.93
mp-1214728
6.472539
5.403071
-4.412104
other
Co4H12S8N20O24
68
19
1,698.04
mp-728290
9.745337
2.580648
-4.472509
other
V4H48N12O20F8
92
19
783.92
mp-1192713
7.973317
1.786051
-4.427494
other
Cu4H8C4S8N4
28
19
390.37
mp-699219
12.609369
5.764205
-1.984804
other
Na4Zn4Si4H4O16
32
19
385.05
mp-733854
11.072831
6.626391
-6.365489
other
K8In8P8H4O40
68
19
1,018.72
mp-728123
9.486591
4.952419
-5.877475
other
K4V4H8S4O28
48
19
598.73
mp-1248468
12.856169
6.174906
-0.424114
other
Na4Ca4Al4Si8O28
48
19
696.03
mp-601377
10.948786
9.894055
-3.123915
other
Ba4Te8Mo8H8O48
76
19
1,113.36
mp-1214582
12.033876
5.398755
-5.520432
other
Co8B4P12H24O56
104
19
1,060.2
mp-720643
12.824536
6.050627
-0.906503
other
K8Zr4Si12H8O40
72
19
1,028.77
mp-560966
2.244779
2.89501
-4.996045
other
K8Ru4N4Cl20O4
40
19
1,019.27
mp-24402
12.646981
6.23219
-1.044545
other
Ca4Al4Si4H4O20
36
19
352.38
mp-985670
9.228303
2.65856
-4.764924
other
Sn4H64C16N12O48
144
19
1,508.21
mp-1194580
13.812984
4.085784
-2.357688
other
Rb4Na8B24Cl4O40
80
19
1,053.58
mp-1173092
12.675528
6.335743
-0.506499
other
Na4Ca4Ga4Si8O28
48
19
621.29
mp-1262161
13.706555
7.314521
-0.956657
other
Na4Ca4Ga4Si8O28
48
19
722.38
mp-1195955
8.748546
2.551168
-4.97758
other
Cu4H28C12N4O24
72
19
803.26
mp-1198574
8.81199
2.490945
-4.883766
other
Mg4H32C12N8O24
80
19
840.69
mp-1195252
10.507199
11.972684
-3.508321
other
Sr4V4Cu4H4O20
36
19
447.24
mp-601396
8.381113
3.62032
-4.882853
other
Cu4H40C8N16O40
108
19
1,034.47
mp-1044171
13.918764
8.51712
-5.355235
other
Zn4Ni4P8W4O36
56
19
721.34
mp-24017
11.989259
6.768756
-2.46401
other
Ca4Mn4Si4H4O20
36
19
382.36
mp-1195266
11.851022
6.752557
-4.174707
other
Sr4Zn4As4H4O20
36
19
449.45
mp-775900
13.951571
7.051174
-6.064487
other
Na4Li4Cu4P12O36
60
19
735.92
mp-23909
8.578119
1.962156
-4.504103
other
H24C4N12Cl4O4
48
19
491.3
mp-1201582
8.888885
2.558042
-4.924081
other
Co4H32C12N8O24
80
19
841.26
mp-758597
12.72895
6.122403
-1.027985
other
K8Ti4Si12H8O40
72
19
952.69
mp-540714
10.348819
3.351622
-4.612877
other
Na4H32S4N4O24
68
19
678.96
mp-734069
8.632266
2.091424
-4.520531
other
B4H40C8N20O12
84
19
737.17
mp-735625
9.359625
3.859303
-4.3437
other
Co4H88S8N20O36
156
19
1,957.41
mp-1195264
7.927029
3.91936
-4.720966
other
Cs4H24Rh4N24O32
88
19
1,261.48