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-531530
12.524089
7.569942
0.566185
other
Mg10Al20O40
70
160
680.88
mp-1217124
-7.426866
-1.876653
3.365906
other
Ti2Co3Sn2
7
160
106.2
mp-558273
12.12278
6.757535
0.323051
other
Ca9Si3O15
27
160
378.95
mp-753198
8.078482
13.506918
-0.929951
other
Mg2Fe4O8
14
160
155.82
mp-753088
9.586834
8.71264
3.149217
other
Ce5Gd2O13
20
160
285.41
mp-34042
8.371781
1.076477
1.794336
other
K1Y3F10
14
160
231.12
mp-1048908
8.728095
14.511866
-0.265954
other
Ca2Mn4O8
14
160
178.13
mp-1216086
-7.901999
-0.868057
4.426712
other
Zr3Co8Si1
12
160
158.46
mp-1222779
-6.249981
-6.677796
3.485387
other
Li2Cu1Ge1
4
160
66.49
mp-1185688
-6.103816
-8.260673
5.684779
other
Mg16Al12Os1
29
160
569.96
mp-686203
-2.849654
-3.810175
-3.897636
other
Y40Si13S27
80
160
1,799.15
mp-2210686
-4.751021
-0.281906
-5.373038
other
Mg1V1S2
4
160
77.73
mp-1186467
-6.232354
-8.363305
5.810269
other
Pm1Mg16Al12
29
160
597.4
mp-35695
6.402797
1.323204
-3.506877
other
Li2H1N1
4
160
34.09
mp-976804
-6.276074
-2.80813
-1.414497
other
Ni1Ag1Te2
4
160
97.78
mp-1206642
0.674821
2.352234
2.112199
other
Li1W1N2
4
160
41.02
mp-1185733
-6.219288
-8.347643
5.821931
other
Mg16Ti1Al12
29
160
570.23
mp-754802
9.416697
13.616764
-0.3935
other
Li5Fe4O8
17
160
149.87
mp-1215469
-4.946919
-0.905495
-5.63662
other
Zn1Fe1S2
4
160
79.34
mp-1223807
-4.832963
-2.671986
-4.092886
other
In1Ag1Se2
4
160
117.53
mp-1215410
10.519396
9.078479
0.577031
other
Zn2Te1O1
4
160
80.9
mp-1215773
10.214827
9.089586
0.16498
other
Zn3In2O6
11
160
146.55
mp-2210635
-4.803892
-0.896192
-5.516707
other
Mg1Mn1S2
4
160
72.08
mp-1219231
-8.536996
0.22593
4.576358
other
Sm2Fe4Co13
19
160
249.73
mp-1227398
-5.952451
-3.653245
-2.001521
other
Bi2Te4Pb1
7
160
247.31
mp-36582
-2.982185
-1.371973
-5.610021
other
Na1H1S1
3
160
50.52
mp-1211056
0.595134
2.306188
2.165839
other
Li1Mo1N2
4
160
38.36
mp-753563
7.132955
13.256427
-1.92798
other
Co9Cu3O16
28
160
285.59
mp-1094001
-4.258365
-1.349875
-6.077161
other
Zn2Ga2S5
9
160
185.43
mp-1219044
-8.923764
-1.562767
2.852074
other
Sm1Mg3Ni8
12
160
162.35
mp-1245401
0.265497
2.327217
2.193179
other
Mn1Cr1N2
4
160
33.43
mp-1211606
10.573937
11.074678
2.300968
other
Nb13Pb15O50
78
160
1,146.09
mp-1220302
-7.643039
0.863479
5.124557
other
Nd2Ti1Fe16
19
160
265.88
mp-34126
-3.518186
-3.741851
0.71465
other
Cu4Sn1P10
15
160
269.51
mp-1186690
-6.271341
-8.304833
5.859091
other
Pr1Mg16Al12
29
160
599.73
mp-1100370
-3.343186
-1.779493
-5.644498
other
Ca9Sn3S15
27
160
744.85
mp-1044717
7.055509
10.569526
-0.689956
other
Ca2Cu4O8
14
160
172.31
mp-1224862
-5.817185
-5.615053
0.437269
other
Ga4Bi3As1
8
160
251.49
mp-1187287
-6.229169
-8.247627
5.805165
other
Tb1Mg16Al12
29
160
589.17
mp-1219026
-7.748003
1.037701
5.08556
other
Sm1Y1Fe17
19
160
259.9
mp-1185728
-6.388703
-8.366612
5.946736
other
Mg16Pa1Al12
29
160
589.73
mp-550506
6.655165
5.790041
-3.415352
other
K1Cl1O3
5
160
89.15
mp-1044670
6.941537
9.632775
-1.699003
other
Zn2Ag4O8
14
160
182.74
mp-1185727
-6.178813
-8.251122
5.772277
other
Mg16Sc1Al12
29
160
581.8
mp-1225801
-5.258457
-2.774996
-4.117568
other
Cu3Sb1Se4
8
160
186.63
mp-34078
9.893171
2.726414
-4.000946
other
H3Cl1O1
5
160
58.48
mp-1219207
-8.637558
-0.137657
4.488057
other
Sm2Ti1Co16
19
160
246.88
mp-567394
-6.481954
1.270292
-4.252588
other
Ga1Mo4Se8
13
160
273.28
mp-686003
9.781543
8.6868
3.244731
other
Ce4Y6O17
27
160
399.68
mp-1216367
-9.175097
-1.269116
3.19138
other
Y6Co3Ni15
24
160
346.87
mp-1044686
9.842661
8.686399
-0.323823
other
Zn2Bi4O8
14
160
226.63
mp-1245659
0.673726
2.537467
1.729143
other
Co1C1N1
3
160
24.58
mp-1216765
-7.329708
-0.424839
3.567345
other
V2Co9W1
12
160
132.48
mp-1185689
-5.993206
-8.472834
5.729517
other
Mg16Al12P1
29
160
579.46
mp-1044676
12.732752
10.770804
1.873922
other
Ca2Ti4O8
14
160
173.6
mp-1222136
-5.656657
-3.304736
-2.771046
other
Mg2Te1Se1
4
160
122.66
mp-759713
11.632188
12.654289
1.755494
other
Li8Ti15O32
55
160
604.1
mp-1185708
-6.027831
-8.455105
5.589713
other
Mg16Al12Sb1
29
160
589.67
mp-1025314
-4.630618
-1.106584
-5.894526
other
Mn1Al2S4
7
160
143.08
mp-754742
6.426676
13.99505
-2.044926
other
Li1Co2O4
7
160
64.65
mp-1206827
-3.666305
-1.138964
-5.037207
other
Cs1Ti1S2
4
160
95.97
mp-1096969
-5.364679
-0.738658
-4.412972
other
Fe1Ag1S2
4
160
67.06
mp-766029
11.479704
12.128705
0.115093
other
Mg4Mn9O13
26
160
285.15
mp-1215566
-5.274535
-2.739241
-4.520555
other
Zn5Se4S1
10
160
231.8
mp-1079073
7.596208
7.254865
-4.147825
other
Pb2C1O6
9
160
162.71
mp-1222106
-6.534069
-0.146137
3.610159
other
Mn23B3C3
29
160
286.3
mp-1185175
-6.075268
-8.41325
5.686039
other
Li1Mg16Al12
29
160
581.43
mp-1218404
-5.864635
-5.494123
4.943953
other
Sr3Ca1Al8
12
160
274.87
mp-1227316
-4.837114
-1.433597
-6.55177
other
Be1Zn1S2
4
160
69.23
mp-757201
5.612979
11.681191
-1.907706
other
Li4Fe3O8
15
160
130.06
mp-1224060
-6.152344
-3.182689
-2.278989
other
In1Cu1Te2
4
160
124.43
mp-1227403
-5.733723
-3.600156
-2.074383
other
Bi1Sb3Te6
10
160
339.44
mp-766286
8.632496
10.699793
-0.414419
other
Bi8Rh8O27
43
160
553.37
mp-1216240
-8.48007
-0.504196
4.718903
other
Y3Zr3Co18
24
160
329.36
mp-1228638
3.424038
2.53368
0.01536
other
B4C2N4
10
160
60.21
mp-756696
8.438276
14.388988
-0.937969
other
Mg2Mn3O8
13
160
146.27
mp-36921
8.884091
14.685206
-0.993339
other
Mn4Cu2O8
14
160
155.33
mp-1185668
-6.145381
-8.540203
5.723785
other
Mg16Al12Hg1
29
160
589.26
mp-1044679
11.276658
9.642998
0.071662
other
Zn2Sb4O8
14
160
207.4
mp-1215698
-7.296818
0.213367
4.860728
other
Zr3Fe8Mo1
12
160
168.82
mp-998927
-5.282444
-1.775251
-3.824254
other
Tl1Cr1Se2
4
160
91.06
mp-1185673
-6.2507
-8.488893
5.847491
other
Mg16Al12Mo1
29
160
569.58
mp-1228891
-4.644942
-4.915254
0.188845
other
Al1Ga1As2
4
160
91.22
mp-1221743
-6.036232
-3.22011
-2.028392
other
Mn3Cd1Te4
8
160
267.39
mp-1227434
-5.700756
-3.494071
-2.44574
other
Bi4Te3S3
10
160
311.9
mp-674516
10.584004
9.876936
3.93
other
Ca3Zr17O37
57
160
698.8
mp-766328
9.810491
10.053936
-1.127725
other
Ag7Sb9O25
41
160
562.56
mp-1227021
-6.917243
-4.054211
5.761288
other
Ce3U1Al8
12
160
244.51
mp-2218314
6.378562
13.512902
-2.182938
other
Mg1Co4O8
13
160
138
mp-1018072
-3.734879
-0.823306
-4.856746
other
K1Ti1S2
4
160
85.06
mp-28872
6.803405
6.029484
-3.105315
other
Rb1Br1O3
5
160
88.92
mp-1226940
-5.872361
-3.108064
-2.764179
other
Cd2Te1Se1
4
160
128.26
mp-1224222
-7.567523
-4.965399
4.478191
other
Hf1Zn2Ga1
4
160
71.2
mp-1096817
-4.294148
-1.314791
-6.054546
other
Al4Zn2S8
14
160
282.13
mp-2225840
8.980902
14.943205
-0.675021
other
Mg1Mn2O4
7
160
87.71
mp-7684
-4.466213
-2.864132
-3.814121
other
Tl3As1Se3
7
160
210.47
mp-15226
0.274909
2.118895
2.269308
other
Cr1W1N2
4
160
37.67
mp-1008525
3.451155
2.429422
0.329252
other
B2C1N1
4
160
25.42
mp-1224470
-6.26408
-1.640118
4.18311
other
Hf3Ti1V8
12
160
192.34
mp-1185645
-6.126784
-8.504226
5.658123
other
Mg16Al12Au1
29
160
579.76