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-621694
3.82128
2.639734
-3.134101
other
Cd1C1N2
4
160
70.98
mp-29643
-4.627091
-2.650109
-3.841054
other
Cu1As1Se2
4
160
97.81
mp-7795
-3.645308
-1.615501
-5.642095
other
Rb1Sn1S2
4
160
110.87
mp-1224695
-9.501302
-4.558218
3.801786
other
Gd1Cu4Pd1
6
160
93.25
mp-1215992
-7.008288
-4.384123
6.418678
other
Y3Er3Al18
24
160
471.33
mp-28781
8.578935
1.449368
1.209866
other
Pr1Zr3F15
19
160
271.44
mp-675124
-3.991543
-1.346236
-5.793945
other
In4Sn1S8
13
160
319.12
mp-1185724
-6.118664
-8.355511
5.711802
other
Mg16Mn1Al12
29
160
574.49
mp-1185702
-6.154099
-8.299159
5.666456
other
Mg16Al12Ru1
29
160
569.57
mp-1225800
-3.033527
-3.913159
0.917183
other
Cu1Si4P3
8
160
149.99
mp-1221590
-4.052409
-1.341868
-5.848323
other
Mn1Hg3S4
8
160
207.13
mp-1215811
-8.109905
-0.901677
4.420772
other
Zr3Al1Co8
12
160
161.73
mp-1219100
-7.750202
1.033014
5.070651
other
Sm1Er1Fe17
19
160
258.81
mp-1209866
8.575409
1.460601
1.179434
other
Nd1Zr3F15
19
160
269.35
mp-1247556
1.65488
1.785194
0.824183
other
K1Ba1N1
3
160
105.78
mp-1184188
-6.215932
-8.230741
5.802548
other
Er1Mg16Al12
29
160
587.45
mp-1187115
-6.10294
-8.476563
5.786322
other
Sr1Mg16Al12
29
160
606.83
mp-1215395
-7.291436
-0.01308
5.111898
other
Zr3Ti1Fe8
12
160
171.27
mp-570142
0.233865
0.65882
-2.925107
other
Ca3Si1Br2
6
160
186.46
mp-18775
10.635923
8.009024
-6.199571
other
Fe3P1O7
11
160
133.9
mp-1224816
-8.9015
-1.551868
2.837451
other
Gd1Mg3Ni8
12
160
164.51
mp-1205727
12.772749
9.895321
1.816213
other
Ba1Nb3O6
10
160
129.04
mp-1223844
-5.042722
-5.272053
0.144372
other
In2Sb1As1
4
160
132.1
mp-1216918
-9.259766
-4.626338
4.090991
other
U2Ga4Cu12
18
160
270.2
mp-1222568
-7.448181
-6.568024
2.470005
other
Li3Ag3Sn2
8
160
147.22
mp-1225421
-7.396151
0.492673
5.158427
other
Dy2Al5Fe12
19
160
263.1
mp-753022
11.652209
8.100351
-0.56543
other
Na2Ga10O16
28
160
349.31
mp-1277185
13.101706
12.120466
-0.191116
other
Al4V8O16
28
160
296.86
mp-3532
-5.355562
-1.84237
-3.91381
other
Cr1Ag1Se2
4
160
84.78
mp-1221632
-4.70133
-1.243617
-5.616991
other
Mn1Cd1S2
4
160
96.26
mp-1226287
-7.719501
-1.724401
2.945658
other
Cr1Co1Pt2
4
160
54.93
mp-2420227
-5.332974
-1.502445
-3.178765
other
V4Ge1Se8
13
160
267.17
mp-1224784
-5.340978
-5.355384
0.159948
other
Ga2Bi1As1
4
160
115.17
mp-675028
8.221483
11.116281
-0.294191
other
K2Os4O12
18
160
261.39
mp-2210634
12.711987
9.81278
1.616225
other
Mg1Ti1O2
4
160
46.36
mp-531283
12.313248
7.711671
-0.239432
other
Al16Cu8O32
56
160
541.6
mp-1187896
-6.17007
-8.382284
5.795125
other
Yb1Mg16Al12
29
160
595.87
mp-761314
10.974533
8.902445
-0.795204
other
Ga4Ni2O8
14
160
147.35
mp-1412222
8.575613
1.153826
1.101884
other
Tl1Cd1F3
5
160
86.27
mp-1225167
-7.78688
0.487958
5.58957
other
Gd3Y3Fe23
29
160
436.63
mp-1215420
-7.212469
-0.044187
5.027663
other
Zr3Ta1Fe8
12
160
173.98
mp-763551
11.632072
13.289072
-0.805937
other
Mn4V2O8
14
160
165.48
mp-1219896
-9.212121
-1.454265
2.814795
other
Pr3Mg1Ni14
18
160
259.65
mp-756773
6.43684
13.94692
-1.975948
other
Li2Co4O8
14
160
134.12
mp-2210615
9.620865
12.914376
-0.624736
other
Mg1Co1O2
4
160
39.78
mp-1048853
8.384397
13.17287
-0.626396
other
Ca2Fe4O8
14
160
176.69
mp-1215503
-4.842961
-4.972054
0.158638
other
Zn1Sn1As2
4
160
105.17
mp-1229076
4.079614
2.233118
-3.137239
other
Al1C3N3
7
160
142.59
mp-759421
9.682602
1.603194
0.833054
other
Li3V1F7
11
160
149.98
mp-1100877
-6.064576
-3.46568
-2.300364
other
Zn7Ga22Te40
69
160
2,665.24
mp-541937
-4.073695
-1.322531
-5.915922
other
Zn1In2S4
7
160
168.59
mp-2218852
12.488915
11.609126
1.936157
other
Mg1Ti4O8
13
160
152.37
mp-753586
11.10178
11.351
0.316072
other
Ca5Mn8O13
26
160
323.55
mp-29211
-5.116413
-0.015447
-5.06191
other
V4Cu3S8
15
160
239.43
mp-1096983
7.87398
0.372213
-4.563966
other
H3C1I1
5
160
3,708.67
mp-1217733
-8.509109
-0.351603
4.59129
other
Tb2Ga3Co14
19
160
248.93
mp-2227450
-5.369112
-0.749365
-4.647021
other
Mg1Co1S2
4
160
62.49
mp-1219047
-8.76753
-0.056629
4.465445
other
Sm1Y1Co17
19
160
240.2
mp-1044693
11.189686
9.588726
0.414759
other
Ca2Sb4O8
14
160
234.19
mp-1222490
-5.699479
-5.880403
0.60511
other
Li4Cd5Sb5
14
160
375.92
mp-1021670
-4.760604
-1.813861
-3.452463
other
Ti1Ag1Se2
4
160
87.04
mp-1224866
1.74095
2.235489
1.488788
other
Ga2Bi1N1
4
160
79.53
mp-1048906
13.003697
10.696289
-0.067923
other
Zn2Mo4O8
14
160
182.9
mp-753846
11.677976
8.020279
-0.261094
other
Mg2Ga4O8
14
160
149.21
mp-767412
-5.529691
-0.583255
-4.308846
other
Li3Co4S8
15
160
247.96
mp-1219035
-5.793408
-3.63001
-2.089224
other
Sn4Te3Se1
8
160
357.99
mp-1217592
-8.704513
-0.449902
5.011527
other
Tb1Dy3Co8
12
160
184.07
mp-1228895
-5.27599
-5.723104
0.413604
other
Al1Ga1Sb2
4
160
116.9
mp-1221431
-7.592938
-2.358899
2.916584
other
Mo1Pd2Rh1
4
160
60.79
mp-2210621
-5.091218
-0.554861
-5.810268
other
Mg1Cr1S2
4
160
69.84
mp-34330
12.524605
7.528983
0.535529
other
Mg2Al4O8
14
160
135.69
mp-1044664
12.852825
10.992933
1.787772
other
Ti4Zn2O8
14
160
156.69
mp-1182015
5.65506
4.358182
-3.600108
other
Cd1C1N2
4
160
52.13
mp-1217633
-8.698099
-0.526679
5.020245
other
Tb3Ho1Co8
12
160
182.92
mp-754132
11.569553
0.306577
1.745346
other
Mn10O6F10
26
160
370.33
mp-540687
-5.859119
-3.556969
-1.952939
other
Ge3Bi2Te6
11
160
353.5
mp-1094011
-4.156433
-1.315513
-5.996062
other
Zn2Ga4S8
14
160
292.49
mp-998352
-3.252199
-1.576293
-5.342368
other
Ba1Hf1S3
5
160
125.84
mp-685698
11.457463
10.711218
-0.069972
other
Re32Pb32O108
172
160
2,371.99
mp-530164
12.543906
7.549921
0.518902
other
Mg8Al16O32
56
160
526.89
mp-1224273
-8.570135
-1.104132
3.573131
other
Ho3Mn3Ni6
12
160
181.83
mp-1225018
-7.871271
-1.383101
3.158506
other
Fe1Co1Pt2
4
160
53.5
mp-975424
-6.087343
-8.625302
5.864873
other
Rb1Mg16Al12
29
160
606.42
mp-756710
10.194029
13.540991
-0.927179
other
Cr3Fe2O8
13
160
149.64
mp-22981
7.736497
6.670752
-2.847927
other
Tl1I1O3
5
160
91.32
mp-33302
12.52356
7.563127
0.564489
other
Mg8Al16O32
56
160
544.45
mp-1215406
-6.1234
-3.388316
-2.396815
other
Zn1Cd1Te2
4
160
131.7
mp-3107
12.690289
6.523996
-5.462547
other
Ga3P1O7
11
160
121.89
mp-1215476
-6.080312
-3.46942
-2.33914
other
Zn1Hg1Te2
4
160
132.92
mp-1224789
-3.838032
-4.161792
0.063709
other
Ga2As1P1
4
160
85.84
mp-1099572
10.083878
1.460509
2.018694
other
Mn1In1F3
5
160
80
mp-37163
-1.085679
2.604161
-3.163095
other
Ag2Hg1I4
7
160
1,217.51
mp-34787
7.127253
9.531888
-1.882888
other
Ag7N1O11
19
160
256.68
mp-1044609
11.272902
9.349202
0.442903
other
Mg2Sn4O8
14
160
201.46
mp-8393
-3.570599
-1.768431
-5.396212
other
Tl3Sb1S3
7
160
203.05
mp-9519
4.189519
2.434259
-3.134815
other
Ag1C1N1
3
160
71.78
mp-1185709
-6.0386
-8.388746
5.624961
other
Mg16Al12Sn1
29
160
590.78
mp-1217108
0.952215
1.815412
2.593528
other
Ti4B2N3
9
160
100.64
mp-1096820
-4.350151
-1.293343
-5.894933
other
Al1Ag1S2
4
160
75.47
mp-1185713
-6.029979
-8.422531
5.648598
other
Mg16Al12Te1
29
160
595.23