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-1120723
11.028697
11.907095
1.802306
other
Ti4Zn3Sn1O12
20
229
231.8
mp-1097959
1.99373
2.029606
1.537387
other
Li1Eu4B3N6
14
229
199.49
mp-1147665
9.123926
0.476302
0.886869
other
K4Mg1Cu3F12
20
229
256.02
mp-1210252
11.214465
8.87219
1.224653
other
Na4Sr1U3O12
20
229
328.21
mp-1232318
6.710575
10.642332
0.213291
other
Ba4Cu3Mo1O12
20
229
267.46
mp-1197596
-2.856138
0.712199
2.549727
other
Ce33Fe13B18C34
98
229
1,421.92
mp-1218514
6.904864
12.011983
1.753474
other
Sr3Ce1Mn4O12
20
229
236.83
mp-1147534
9.054634
10.586574
1.174976
other
La4Cu3Se1O12
20
229
239.74
mp-1218433
6.719759
11.977169
1.66611
other
Sr3Pr1Mn4O12
20
229
234.44
mp-1228077
7.284171
10.54466
0.538165
other
Ba4Na1Ir3O12
20
229
284.64
mp-1147645
7.707231
9.448822
1.252582
other
Ba4Cu3Se1O6
14
229
250.1
mp-1147522
10.649693
11.199327
-1.594983
other
K4Ca1W3O12
20
229
276.34
mp-9705
1.986182
1.912534
1.270103
other
Ba4Na1B3N6
14
229
255.17
mp-1203780
5.769261
5.259663
-4.07918
other
Zr6B1Cl18O24
49
229
1,367.62
mp-1147523
7.00903
10.590384
0.540939
other
Ba4Cu3Re1O12
20
229
272.55
mp-22634
11.159924
8.764526
1.430315
other
K4Sr1U3O12
20
229
337.9
mp-1218513
6.526726
11.335505
0.476634
other
Sr4Fe3Mo1O12
20
229
250.22
mp-647452
8.006648
10.535306
-0.338167
other
Ca1Ti4Cu3O12
20
229
230.92
mp-1147683
9.081724
10.476713
1.47745
other
La4Cu3Te1O12
20
229
251.5
mp-1147529
7.909197
9.294465
1.328053
other
Ba4Cu3Br1O6
14
229
255.83
mp-1105477
12.640414
12.158979
-0.709599
other
La1Mn3V4O12
20
229
229.06
mp-1227929
6.151802
11.358194
0.792845
other
Ba1La3Co4O12
20
229
236.58
mp-6273
9.259818
9.298405
0.909291
other
Ba4Na1Sb3O12
20
229
297.75
mp-1147539
8.773225
10.855904
1.484394
other
La4Cu3Mo1O12
20
229
248.64
mp-630372
-7.206196
-4.326262
5.569205
other
Tb4Ga6Fe1Ge6
17
229
318.4
mp-1214440
2.037089
1.934113
1.279817
other
Ba4Li1B3N6
14
229
250.09
mp-6799
2.162725
2.18158
1.335716
other
Li1Ca4B3N6
14
229
181.56
mp-1202694
2.855641
-0.532893
-1.726122
other
Y6Al4Ni12H18
40
229
386.62
mp-1147525
6.656371
10.588085
0.033104
other
Ba4Cu3Se1O12
20
229
264.02
mp-9723
2.178282
1.973759
1.331865
other
Sr4Li1B3N6
14
229
210.36
mp-1227923
7.532078
11.702089
2.159034
other
Ba1La3Mn4O12
20
229
237.09
mp-1196242
2.863869
-0.536946
-1.716338
other
Dy6Al4Ni12H18
40
229
384.48
mp-1214461
5.908453
8.572979
-0.712885
other
Ba4Li1Bi3O12
20
229
322.22
mp-1218429
7.284214
11.247925
0.954645
other
Sr8Fe6Re2O24
40
229
506.48
mp-16137
11.151052
8.740027
1.326935
other
K4Ca1U3O12
20
229
326.53
mp-19965
11.072751
8.750285
1.487217
other
K4Ba1U3O12
20
229
353.9
mp-1204639
2.86416
-0.518854
-1.701534
other
Sm6Al4Ni12H18
40
229
405.69
mp-1216502
-7.19489
-4.428468
5.558583
other
Y4Ga6Fe1Ge6
17
229
326.08
mp-1147711
8.395201
9.896528
0.875973
other
Ba4Pd3Br1O6
14
229
276.24
mp-1218430
6.716731
11.960818
1.658377
other
Sr3La1Mn4O12
20
229
236.31
mp-1147549
5.963161
8.52717
-0.424352
other
Ba4Ca1Bi3O12
20
229
336.24
mp-1147524
7.070498
10.133324
-0.384846
other
Ba4Cu3I1O12
20
229
273.36
mp-7971
9.275416
9.301209
0.887688
other
Ba4Li1Sb3O12
20
229
290.96
mp-559352
5.906353
8.571187
-0.662223
other
Ba4Na1Bi3O12
20
229
329.17
mp-1218242
7.487421
11.857411
2.158794
other
Sr1La3Mn4O12
20
229
242.32
mp-1199765
2.873035
-0.573875
-1.715296
other
Gd6Al4Ni12H18
40
229
395.08
mp-1147558
5.963081
8.553354
-0.494595
other
Ba4Mg1Bi3O12
20
229
322.26
mp-865440
-7.796426
-1.221621
4.675526
other
U6Co12Ge4C1
23
229
327.16
mp-1147678
8.293824
9.498215
1.41953
other
Sr4Cu3Cl1O6
14
229
228.58
mp-1211978
8.368162
1.025515
1.782333
other
K12Na12Nd6F42
72
229
1,074.1
mp-1239210
-5.063224
-0.459723
-5.571557
other
Hf2Cr2Cu2S8
14
24
262.11
mp-766400
10.65661
8.29949
-7.131728
other
Li6Cr8P12O48
74
24
803.33
mp-1224994
-5.722605
-2.980999
-2.952141
other
Ga2Cu2Te2Se2
8
24
202.42
mp-1223961
-5.805319
-3.126315
-2.719968
other
In2Ag2Te2Se2
8
24
257.76
mp-1224400
-4.94473
-2.057273
-5.20212
other
In2Cu2Se2S2
8
24
187.23
mp-1224187
-5.956793
-3.070196
-2.641459
other
In2Cu2Te2Se2
8
24
227.2
mp-1239128
-5.08392
-0.521781
-5.518961
other
Zr2Cr2Cu2S8
14
24
265.54
mp-1225905
9.341669
11.782397
-1.583805
other
Cu8Ni4Te4O24
40
24
451.25
mp-1238893
-4.984958
-0.038215
-5.584319
other
Ti2Cr2Ag2S8
14
24
272.91
mp-1019715
13.823729
4.116209
-2.313597
other
Cs2Li2B12O20
36
24
509.45
mp-1224989
-5.135992
-1.264992
-5.074434
other
Fe2Cu2Se2S2
8
24
152.48
mp-1224845
-4.801192
-2.275047
-4.830767
other
Ga2Ag2Se2S2
8
24
191.72
mp-1229065
-4.776032
-1.610822
-5.700291
other
Al2Cu2Se2S2
8
24
163.27
mp-1239266
-4.875287
-0.393945
-5.520856
other
Hf2Cr2Ag2S8
14
24
288.73
mp-1224853
-5.614773
-3.047728
-2.986152
other
Ga2Ag2Te2Se2
8
24
228.97
mp-1224872
-5.025828
-2.111757
-5.20044
other
Ga2Cu2Se2S2
8
24
162.86
mp-1226159
9.184399
12.073163
-1.602456
other
Co4Cu8Te4O24
40
24
454.59
mp-1238853
-5.149611
-0.136327
-5.610722
other
Ti2Cr2Cu2S8
14
24
247.97
mp-1222738
11.140395
9.787501
3.585562
other
La2Ti2N2O4
10
24
124.9
mp-1226788
-3.905969
-4.197652
0.093827
other
Cd2Ge2As2P2
8
24
197.06
mp-1215540
-3.336541
-4.072218
0.321266
original
Zn2Si2As2P2
8
24
165.44
mp-1215593
-3.808849
-4.030193
0.024941
other
Zn2Ge2As2P2
8
24
175.64
mp-758570
8.565804
3.701893
-7.296105
other
Li2V4C8O24
38
24
489.89
mp-1274978
11.453688
12.62463
0.506288
other
Li4Nb4Fe4O16
28
24
343.04
mp-1223900
-4.798538
-2.360968
-4.727632
other
In2Ag2Se2S2
8
24
218.08
mp-2224774
12.31356
10.727118
0.170383
other
Mg1V1Pb1O3
6
25
100.03
mp-1216589
-8.006626
-4.150623
4.248703
other
U2Al6Pd3Pt1
12
25
211.23
mp-1035394
17.483198
9.660101
7.806782
other
Na1Li1Mg14O15
31
25
314.58
mp-1227831
5.728903
11.763347
0.00024
other
Ba1Sr3Co4O12
20
25
252.94
mp-1033978
17.265102
9.592316
7.556658
other
K1Rb1Mg14O15
31
25
344.86
mp-1247657
7.305712
12.137635
1.404402
other
Ca8Mn6Cr2O22
38
25
449.71
mp-2229884
12.042636
11.718884
1.801224
other
Mg1Ti4Zn2O10
17
25
222.87
mp-1034001
17.152554
9.544419
7.53387
other
K1Rb1Mg14O15
31
25
352.6
mp-1179258
9.944121
11.238763
1.007088
other
Sr4Ca2W2O12
20
25
295.2
mp-1235245
12.116133
9.143001
2.34396
other
Li1Zr2Se2O2
7
25
132.54
mp-2223650
11.631258
7.60558
-1.382819
other
Mg1Ag2Ge2O6
11
25
145.23
mp-1227233
-7.012454
-3.4826
5.903343
other
Ce4Al16Ni4C3
27
25
438.07
mp-2242040
11.256724
11.434346
-0.197657
other
Mg1Fe2Cl2O2
7
25
115.25
mp-1040207
17.338108
9.746678
7.012955
other
Li1Mg30B1O31
63
25
619.22
mp-1034744
16.791864
9.630318
6.315266
other
Na1Mg14B1O15
31
25
315.51
mp-2227393
9.213215
10.2972
-0.600661
other
Mg1Ag1Pd1O2
5
25
69.51
mp-2227859
11.12371
10.472439
0.301262
other
Mg1Fe1Bi1O3
6
25
96.95
mp-1040399
17.659767
9.78298
7.644052
other
K1Li1Mg30O31
63
25
631.39
mp-2218281
8.149948
10.236811
-0.196943
other
Mg1Cd2Cu4O6
13
25
166.1
mp-1098422
17.308838
9.776183
6.91361
other
Li1Mg30B1O31
63
25
618.63
mp-1188106
10.859425
11.128397
-0.565858
other
Ca4Pd2W2O12
20
25
279.38
mp-2223667
11.499883
7.80263
-1.564181
other
Mg1Ag2Ge2O6
11
25
132.45
mp-1223064
10.240171
8.188996
2.787717
other
La3Gd1Cl4O4
12
25
233.16
mp-1035418
17.483654
9.66231
7.816075
other
Na1Li1Mg14O15
31
25
314.13
mp-1034374
16.82686
9.586819
6.471862
other
Rb1Mg14B1O15
31
25
340.92