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-1182363
7.169261
6.338614
-4.477712
other
As4N2Cl2O7
15
65
288.64
mp-1521236
11.402119
9.436721
2.975528
other
Sr1Nd1Hf2O6
10
65
137.07
mp-1519527
10.177359
9.724669
3.974936
other
Sr1Ca1Zr2O6
10
65
140.06
mp-1218423
9.669158
10.761015
3.625566
other
Sr4Hf1Ti3O12
20
65
255.54
mp-2227403
10.552853
9.352626
2.345968
other
La4Mg1Mn1O8
14
65
226.62
mp-19206
8.057648
9.908031
2.190953
other
Li2La8Co2O16
28
65
370.16
mp-1192890
8.348903
1.845389
-0.588616
other
Al5C2N6F17
30
65
394.45
mp-1516331
5.888949
11.287029
-1.421181
other
Sr1Dy1Ni4O12
18
65
219.61
mp-1228097
9.234901
8.872451
3.39649
other
Ba5Ce4Zr1O15
25
65
436.65
mp-1219294
-7.389313
-1.243498
4.465998
other
Sc2Nb4B4Ru10
20
65
274.1
mp-2240510
8.495388
9.839988
0.619604
other
Ba1Mg1Cu3O4
9
65
185.59
mp-1214720
7.21305
9.695438
1.037459
other
Ba2Gd1Cu4O8
15
65
209.12
mp-1520593
7.550296
8.284873
0.480713
other
Ba1Tb2Dy1O6
10
65
160.67
mp-6691
7.212496
9.721935
1.056955
other
Ba2Dy1Cu4O8
15
65
208.14
mp-1292063
6.090714
10.466563
0.218735
other
Sr8Ti4Fe4O24
40
65
488.34
mp-1078298
8.290097
2.626903
-1.402802
other
Sb1N1O2F6
10
65
155.31
mp-1518649
7.536854
8.291499
0.460721
other
Ba1Tb2Sm1O6
10
65
162.2
mp-15039
6.947828
9.993395
0.475982
other
Ba2Yb1Cu4O8
15
65
206.54
mp-1218456
7.976537
10.64991
2.087882
other
Sr4Nb1Co1O8
14
65
201.77
mp-1303539
11.910575
10.691629
0.864217
other
Ba4Y2V6O16
28
65
383.25
mp-1519751
9.340682
8.707652
3.325385
other
Ba1Sr1Ce2O6
10
65
172.12
mp-1214709
7.03058
9.934388
0.654081
other
Ba2Eu1Cu4O8
15
65
210.61
mp-1226666
-9.018084
-2.885941
3.698632
other
Ce1Al1Cu2Ni2
6
65
88.54
mp-1218072
11.468091
11.635521
2.192898
other
Ta8Fe2Co2O24
36
65
428.74
mp-2228445
10.286459
9.022491
2.583158
other
La4Mg1Mn1O8
14
65
201.01
mp-1216422
-7.71113
1.052663
5.027862
other
Y8Fe56B2C2
68
65
903.45
mp-1217552
-7.496262
-1.138508
4.414946
other
Ti16Cr6B16Ru36
74
65
924.23
mp-1228264
7.184895
9.782913
1.129014
other
Ba4Y2Cu7O15
28
65
386.78
mp-2226862
9.787303
9.368581
2.384857
other
La4Mg1Ni1O8
14
65
224.17
mp-1257377
15.96968
9.752127
5.192342
other
Mg14Si1Bi1O16
32
65
341.44
mp-1221823
10.404381
10.121101
1.251904
other
Na1Ti8Bi9O30
48
65
615.74
mp-1292614
7.32606
11.843009
2.141992
other
Sr4La2Mn4O14
24
65
310.64
mp-2240250
8.318177
12.064888
1.285962
other
Ba1Mg1Mn2O5
9
65
143.57
mp-2228462
10.690024
9.187364
2.262629
other
La4Mg1Fe1O8
14
65
212.71
mp-1521430
11.412276
9.359259
2.926042
other
Ba1Nd1Zr2O6
10
65
146.85
mp-1176720
12.288054
0.553972
0.735298
other
Li1Fe5O4F8
18
65
193.33
mp-1518755
10.126846
12.18616
-3.417729
other
Ca1Sm1V4O12
18
65
212.76
mp-1297710
7.698329
10.892155
1.000623
other
Ba4Y2Ni6O14
26
65
360.09
mp-1214593
7.597815
11.883356
2.070544
other
Ba2Y2Mn4O11
19
65
244.57
mp-1097037
7.314902
11.605937
0.805307
other
K2Ce2Fe4O11
19
65
243.1
mp-567918
2.693447
2.198496
1.789455
other
Ba4Nd14Si22N46
86
65
1,249.94
mp-1521087
6.053556
8.961616
-1.640803
other
K1Na1Bi2O6
10
65
148.38
mp-1516749
10.278648
9.609948
3.964709
other
Sr1Eu1Zr2O6
10
65
143.87
mp-1247644
6.987116
12.161458
1.466991
other
Sr1Ca7Mn8O22
38
65
454.3
mp-1523074
10.35509
9.680901
3.895622
other
Ca1Eu1Zr2O6
10
65
139.96
mp-558858
7.149772
11.972345
1.866659
other
Ba2Tb2Mn4O12
20
65
242.25
mp-1223081
8.499638
11.27383
1.969258
other
La1Ce2Mn3O9
15
65
182.5
mp-1523321
9.873088
9.679688
3.916129
other
Ba1Ca1Zr2O6
10
65
146.76
mp-6790
7.172248
9.739899
1.04946
other
Ba2Y1Cu4O8
15
65
208.6
mp-1218941
1.84948
1.865858
1.217504
other
Sr10Li24Ni1N15
50
65
768.68
mp-1226655
-8.593782
-0.748766
5.050414
other
Ce1B2Ru2Rh1
6
65
80.11
mp-1182972
7.081948
5.906677
-2.702939
other
Ag2C2N2O2
8
65
86.41
mp-754795
11.781765
12.056546
2.246968
other
Ta8Cr4N4O20
36
65
417.79
mp-1523281
9.807483
12.125346
-3.708948
other
Sr1Ca1V4O12
18
65
214.18
mp-1218462
10.789243
10.520116
0.882818
other
Sr8Ca2Fe10O20
40
65
562.76
mp-1223957
9.035757
0.353087
0.857398
other
K4Mg1Cu3F12
20
65
270.5
mp-2210763
8.53744
9.940812
0.152986
other
Na1Mg1Cu2O3
7
65
124.01
mp-770699
10.529592
11.124807
0.315881
other
K4Li4Mn4O8
20
66
285.68
mp-1197443
8.409966
8.160501
-4.420078
other
Fe8As8Pb4O40
60
66
793.9
mp-6174
13.036449
6.297607
-0.433627
other
Mg4Al8Si10O36
58
66
801.19
mp-1196503
8.42004
8.113221
-4.369904
other
Ca4Fe8As8O40
60
66
754.21
mp-555827
8.839969
9.014203
0.942153
other
Sr4Cu2Bi4O12
22
66
360.82
mp-1204107
13.544354
6.803201
-0.670877
other
Al8Fe4Si10O36
58
66
815.09
mp-1224052
8.227914
7.845308
-3.936852
other
K2U6As2O30
40
66
679.06
mp-19477
13.319896
6.5285
-0.604299
other
Mn4Al8Si10O36
58
66
827.14
mp-1210996
12.432072
6.913275
-1.035328
other
Mg4Al6Si12O36
58
66
816.55
mp-683950
7.488947
10.007964
0.590361
other
Ca20Pr8Cu48O82
158
66
2,027.42
mp-2646928
-1.307616
3.003761
-3.100001
other
Cs8Sb8S8I16
40
66
1,633.78
mp-559242
10.121274
10.25858
0.331727
other
K4Na4Mn4O8
20
66
327.2
mp-1211747
1.142457
1.786005
-4.195145
other
K4Zr12Be2Cl30
48
66
1,383.75
mp-2646996
9.435995
9.721647
2.136306
other
La8Ni4O12F8
32
66
440.39
mp-1221152
13.899742
4.89715
-6.996315
other
Na8Ti2P4O18
32
67
426.43
mp-1216376
12.028604
7.468405
-0.46974
other
Y4Mn2Ge8O24
38
67
506.67
mp-753425
8.587179
3.740023
-7.376303
other
Li2Cu2C2O6
12
67
145.87
mp-556532
13.880924
4.433606
-2.225955
other
Ca2Al2B6O14
24
67
209.36
mp-561144
10.56502
12.291601
-3.796661
other
K12Ca4V20O60
96
67
1,686.06
mp-1226301
11.262211
7.668433
-1.209602
other
Eu4Mn2Ge8O24
38
67
520.16
mp-1227515
11.849222
7.217114
-0.073252
other
Ca2Ho4Ge8O24
38
67
519.2
mp-1225782
12.095546
7.453774
-0.442931
other
Er4Mn2Ge8O24
38
67
499.08
mp-560558
-3.996309
-1.537654
-5.472045
original
Cs2Cd2Au2S4
10
67
302.17
mp-1227314
11.725328
7.280546
-0.142169
other
Ca2Gd4Ge8O24
38
67
532.79
mp-1227219
9.017552
7.831363
-2.284302
other
Ca2Yb4Ge8O24
38
67
530.51
mp-1229313
11.10016
7.554671
-1.016906
other
Ca2Eu4Ge8O24
38
67
528.43
mp-763247
10.776091
8.581642
-3.726945
other
Li2V2Si2O10
16
67
185.45
mp-1227308
11.794483
7.267574
-0.138839
other
Ca2Y4Ge8O24
38
67
525.62
mp-756178
10.530936
12.165763
-3.5361
other
Li2Ti2V2O10
16
67
204.28
mp-1225903
11.920914
7.463428
-0.513128
other
Gd4Mn2Ge8O24
38
67
516.35
mp-1225644
12.019688
7.462208
-0.470251
other
Dy4Mn2Ge8O24
38
67
506.36
mp-1227805
11.780433
7.257802
-0.126923
other
Ca2Dy4Ge8O24
38
67
523
mp-760489
9.688435
2.092713
-4.240246
other
P2H12N2O4
20
67
179.3
mp-1222837
12.094519
7.436961
-0.469608
other
Lu4Mn2Ge8O24
38
67
491.5
mp-1191402
11.01018
7.789554
-1.606881
other
Gd2Mn2Ge4O14
22
67
262.27
mp-1227561
11.83409
7.241233
-0.106008
other
Ca2Er4Ge8O24
38
67
515.51
mp-1216872
12.099791
7.437056
-0.463201
other
Tm4Mn2Ge8O24
38
67
495.62
mp-560924
8.404387
10.20487
0.043297
other
K8Na4Fe4O12
28
67
476.47
mp-23104
9.841285
7.323264
-1.718968
other
Pb4Cl2O2F2
10
67
219.33
mp-1206410
9.430235
7.423792
-1.842424
other
Pb4I2O2F2
10
67
249.34
mp-1206495
9.515766
7.163397
-1.706541
other
Pb4Br2O2F2
10
67
231.43
mp-757584
13.501919
8.309234
-7.612759
other
Li8V2P4O18
32
67
359.96
mp-2646926
-1.304632
3.004659
-3.098653
other
Cs8Sb8S8I16
40
67
1,644.07