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-1042137
10.029047
9.279111
1.763248
other
Ba1Y1Cu1Sn1O5
9
99
135.01
mp-1235104
7.914915
9.563014
1.528872
other
Ba2Li1La1Cu3O7
14
99
209.61
mp-1227566
10.280675
9.555073
-1.048222
other
Bi3Pb1W1Cl1O8
14
99
226.18
mp-2217716
8.693221
11.312586
2.029904
other
Ba1Nd1Mg1Mn2O6
11
99
176.74
mp-693857
12.820232
6.222291
-0.460103
other
Na4Li8Al12Si12O48
84
99
1,771.67
mp-1100841
6.497607
11.106548
0.795606
other
Sr16La3Co11Cu8O46
84
99
1,084.01
mp-1404372
7.228358
10.788818
1.116867
other
Ba1Y1Cu1Ni1O5
9
99
114.08
mp-1042194
10.608996
9.430465
0.8083
other
Ba1Al1Cu1Sb1O5
9
99
142.97
mp-1042494
7.69476
11.332428
0.40942
other
Ba1Al1Co1Cu1O5
9
99
112.31
mp-756619
9.007191
9.880081
2.433344
other
Sr1Li1La7Fe3O16
28
99
387.19
mp-2229796
11.86306
10.313445
2.500548
other
Rb1Sr2Mg1Nb3O10
17
99
266.24
mp-1147772
7.712624
9.365737
0.970527
other
Ba1Na1Cu1Br1O2
6
99
116.74
mp-2225354
8.735029
11.245612
2.077831
other
Ba1La1Mg1Mn2O6
11
99
175.69
mp-1389826
11.08171
10.156408
2.318641
other
Ba1Y1Ti1Cu1O5
9
99
122.9
mp-1042479
12.011293
10.206341
0.689337
other
Ba1Y1Cu1W1O5
9
99
130.41
mp-1228474
5.976818
11.364227
0.38389
other
Ba2Ho2Fe1Co3O12
20
99
236.98
mp-1223178
11.227185
7.799531
3.023816
other
La3Y1Fe4As4O4
16
99
303.34
mp-2227770
11.756195
10.12489
2.414038
other
Rb2La1Mg1Nb2O8
14
99
263.47
mp-1235536
7.88508
9.894484
1.611784
other
Ba1Li1Y1Cu2O5
10
99
147.86
mp-1232325
7.815123
9.635221
0.927282
other
Ba1Na1Cu1Cl1O2
6
99
111.82
mp-1236807
8.00218
9.499255
1.519501
other
Ba2Li1La1Cu3O7
14
99
199.69
mp-1206575
7.850969
10.675834
1.570777
other
Ba1Gd1Fe1Cu1O5
9
99
121.92
mp-1206136
7.732566
10.682275
1.540095
other
Ba1Pr1Fe1Cu1O5
9
99
125.27
mp-2231123
12.781246
8.624401
-0.3617
other
Na4Mg1Ti2Ge2O10
19
99
257.04
mp-1228576
6.797613
11.071594
1.086068
other
Ba2La2Fe2Cu2O11
19
99
249.16
mp-1042500
11.764852
10.317396
0.83023
other
Ba1Y1Cu1Mo1O5
9
99
128.03
mp-1222786
11.264033
7.800436
3.067974
other
La1Y1Fe2As2O2
8
99
151.99
mp-2228751
8.761438
10.744376
1.832044
other
Sr4Mg1Mn2Cl2O6
15
99
285.01
mp-1076546
11.929297
11.091718
-1.980268
other
K4Na4Mo7W1O24
40
99
511.07
mp-2232123
8.299078
10.266484
1.543418
other
Sr4Mg1Ni2Cl2O6
15
99
253.34
mp-1042474
8.555742
11.718033
1.036978
other
Ba1Mn1Al1Cu1O5
9
99
112.56
mp-1042214
8.750532
9.195313
1.611514
other
Ba1Y1Cu1Bi1O5
9
99
143.04
mp-1224323
11.170436
4.393458
-5.405337
other
K1Na3Al12H24S8O56
104
10
979.82
mp-1195176
13.651634
4.336927
-2.110204
other
Ba8Na2Ga4B16Cl6O36
72
102
1,048.84
mp-1195423
13.695886
4.510963
-2.098689
other
Ba8Na2Ga4B16Br6O36
72
102
1,072.96
mp-1197875
13.691651
4.456288
-2.02802
other
Ba8Na2Al4B16Br6O36
72
102
1,061.74
mp-1204585
13.690667
4.295501
-2.057483
other
Ba8Na2Al4B16Cl6O36
72
102
1,034.73
mp-1218640
8.425456
9.706113
1.523365
other
Sr2Y1Cu2Bi1Pb1O8
15
107
221.99
mp-1228298
7.739519
9.450078
0.689177
other
Ba3Sr1Tl2Cu2Hg1O10
19
107
326.96
mp-1218854
7.727123
10.515285
1.49771
other
Sr2Ce1Y1Cu2Ru1O10
17
107
218.26
mp-1228200
7.368558
10.964981
1.428064
other
Ba2Y2Fe1Co2Cu1O10
18
107
235.57
mp-1227882
8.189317
8.87671
1.547564
other
Ba1Sr1Co1Cu2S2O2
9
107
152.08
mp-1217801
10.659071
10.438502
1.978335
other
Sr1Ti1Nb2Bi2Pb1O12
19
107
257.6
mp-2715222
15.040238
3.842328
-7.493804
other
Na18Hf6Nb6Si18O72
120
9
1,620.96
mp-2715493
14.147895
4.721426
-7.302874
other
Na18Ca6Hf6P18O72
120
9
1,676.01
mp-766471
8.620619
3.500753
-7.761375
other
Li6Mn4C6O18F2
36
9
373.2
mp-532755
11.84989
7.132719
-7.1889
other
K8Mg2Fe6P10O40
66
9
892.58
mp-2713135
12.707636
3.934281
-8.671846
other
Ta6Al6Si6S12O72
102
9
1,443.96
mp-2715395
13.952291
4.827445
-7.32415
other
Na12Hf4Zn4P12O48
80
9
1,037.72
mp-731583
10.755314
12.271326
-3.404286
other
Ca16V14Zn2Bi2O56
90
9
1,316.15
mp-2713633
13.94829
4.871192
-7.501592
other
Na12Ca6Ta6P18O72
114
9
1,627.74
mp-2712853
12.99121
3.899001
-8.473168
other
Zr6Sc6P6S12O72
102
9
1,589.4
mp-572292
13.923117
8.148767
-6.11445
other
Fe4Co4P4O16F4
32
9
373.49
mp-2712968
13.081163
3.978892
-8.488284
other
Hf6Sc6P6S12O72
102
9
1,561.94
mp-697211
8.565253
3.686231
-6.840527
other
Na8Ca4Pb12C20O60
104
9
1,342.29
mp-1222409
12.231102
4.370923
-3.226388
other
Li2Ga2B2H6O10
22
9
235.55
mp-2713073
12.161346
4.039106
-8.268044
other
Nb6Zn6P6S12O72
102
9
1,497.46
mp-2713580
12.29321
3.765324
-8.299875
other
Na12Ga12Si6S12O72
114
9
1,450.73
mp-2713574
13.335937
5.033225
-7.352086
other
Na12In6Sn6P18O72
114
9
1,573.56
mp-698301
9.448485
2.964833
-4.67485
other
Zn2H12C4S4O12
34
9
382.51
mp-2713710
13.637536
5.007275
-7.439337
other
Na12Nb6Zn6P18O72
114
9
1,533.59
mp-2715410
15.000627
3.789867
-7.526747
other
Na18Zr6Nb6Si18O72
120
9
1,672.84
mp-2713518
14.809131
4.235953
-7.726444
other
Na6Nb12Si12P6O72
108
9
1,570.16
mp-1342473
8.946905
10.666107
1.067629
other
Sr4Al2Ga2Ni4O14
26
9
331.32
mp-654305
4.369103
2.545592
-3.468782
other
Tl4Fe2C10N12O2
30
9
539.84
mp-690706
6.027595
1.831855
-3.542769
other
Fe2Ag6H12C12N16
48
9
724.6
mp-2715316
14.690397
3.693899
-7.714678
other
Na12Nb4Si12Sn4O48
80
9
1,068.69
mp-2715471
14.031701
4.720922
-7.271528
other
Na18Ca6Zr6P18O72
120
9
1,691.55
mp-2714483
13.806977
3.704707
-7.883142
other
Na24Al12Si12S6O72
126
9
1,443.66
mp-2713312
13.872282
4.945624
-7.586548
other
Na12Sc6Ge6P18O72
114
9
1,459.37
mp-1216152
8.365441
2.13219
-4.747683
other
Zn2H18C10N2O12
44
9
431.17
mp-2713043
12.554584
4.015384
-8.378771
other
Sc6Sn6P6S12O72
102
9
1,532.9
mp-769204
11.771393
7.535673
-4.723076
other
Li14Cu2As8Cl2O28
54
9
656.89
mp-1195834
12.246443
4.086533
-2.649288
other
La4B10H14C8O28
64
9
746.96
mp-2715261
13.691593
4.113255
-7.819592
other
Na12Si8Ge8P4O48
80
9
942.23
mp-1226119
11.693913
6.112359
-4.465375
other
Cs2Ga2As6H10O24
44
9
554.08
mp-2713603
13.061826
4.842281
-7.778972
other
Na12Al12P12S6O72
114
9
1,336.88
mp-2712939
12.585813
4.016823
-8.41747
other
Sc6Ti6P6S12O72
102
9
1,493.35
mp-1220504
12.658932
6.334996
-6.107927
other
Rb4U6P8H8O38
64
9
975.61
mp-773646
11.146969
3.473048
-4.725076
other
In2P4H18N4O16
44
9
404.59
mp-1198246
2.002628
2.80753
-4.607134
other
K4Mo12H4Cl28O2
50
9
1,493.82
mp-1202266
7.358847
4.581033
-4.616665
other
Rb4Pr2H16N10O38
70
9
919.13
mp-2715479
13.566666
5.217809
-7.165966
other
Na12Mg4Sn4P12O48
80
9
1,020.01
mp-2715268
15.117693
3.789922
-7.547488
other
Na18Zr6Ta6Si18O72
120
9
1,639.83
mp-653450
10.815999
7.87214
-3.36205
other
Cu2Ag14As8Cl2O28
54
9
799.15
mp-2715481
15.040275
3.840151
-7.493513
other
Na12Hf4Nb4Si12O48
80
9
1,078.97
mp-2713104
12.631796
3.29483
-8.237121
other
Na24Mg12Si6S12O72
126
9
1,577.99
mp-2715256
13.889421
4.821677
-7.277756
other
Na18Zr6Zn6P18O72
120
9
1,598.74
mp-1221208
9.392622
7.212726
-2.711802
other
Na2Mg2Al6Si6O32
48
9
751.2
mp-2712869
12.555367
4.107672
-8.476176
other
Hf6Ga6P6S12O72
102
9
1,476.34
mp-2713526
13.061415
4.73954
-8.180727
other
Ta6Ga6P12S6O72
102
9
1,442.19
mp-2713081
12.899027
3.734661
-8.475578
other
La6Zr6P6S12O72
102
9
1,767.9
mp-1228541
6.732227
10.483341
1.059895
other
Ba8Sr4Nd4Co8O30
54
9
836.91
mp-710070
10.386327
4.234015
-6.851504
other
K10Ce4H4S12O50
80
9
1,153.16
mp-2713393
12.804055
3.630839
-8.672209
other
La6Ta6Si6S12O72
102
9
1,690.14
mp-2713531
12.53563
3.874473
-8.561336
other
Ta6In6Si6S12O72
102
9
1,591.32
mp-2712908
12.360994
4.152183
-8.40838
other
Sc6Ge6P6S12O72
102
9
1,420.88
mp-760067
14.288621
7.430667
-5.184037
other
Ba4Li2V2P4O18
30
9
452.43
mp-1228171
7.028515
6.940611
-3.820873
other
K10Na2Ru2I4O44
62
9
1,174.02
mp-1224486
13.092723
6.896015
-7.036373
other
K6Mn8P10H6O40
70
9
907.91