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-1197757
-7.366059
-7.639506
1.944912
other
Ba20Cd4Hg99
123
216
3,594.54
mp-571230
-8.386137
-6.512909
6.507154
other
Dy16In4Rh4
24
216
627.87
mp-631580
-6.999896
-5.302133
2.951963
other
B1Pd2Br1
4
216
63.07
mp-9437
-6.093493
-2.496991
1.61028
other
Nb1Fe1Sb1
3
216
52.43
mp-1008873
-5.295772
-1.612938
-3.595164
other
Mn1Co1Se1
3
216
44.55
mp-542065
-6.305794
-5.787548
1.020788
other
Cd1Ag1Sb1
3
216
75.01
mp-1223023
-6.808877
-4.686018
6.036785
other
La1Eu1Al4
6
216
132.11
mp-21899
-8.965616
-1.851187
3.101316
other
U1Zn1Ni4
6
216
79.85
mp-961649
-5.344326
-2.105222
0.260885
other
Zr1Fe1Te1
3
216
57.39
mp-16343
-6.244195
-6.507149
3.139912
other
Li1In1Ge1
3
216
62.89
mp-570404
-8.252756
-6.54193
6.712946
other
Ho16Cd4Co4
24
216
586.77
mp-1008624
-6.622068
-5.073244
0.897018
other
Y1Bi1Pd1
3
216
74.99
mp-1009592
-6.119297
-1.858151
-0.806194
other
Cr1Fe1Te1
3
216
50.4
mp-3716
-6.218793
-3.837423
0.799733
other
Tb1Ni1Sb1
3
216
63.52
mp-1209965
-1.527444
1.312768
-2.943463
other
Nb4S4I4
12
216
318.27
mp-631555
-7.442153
-1.158014
3.903426
other
Mn1V1Ni1
3
216
41
mp-1100427
-5.061301
-6.198553
0.690138
other
K1Na1Sb1
3
216
112.08
mp-1024957
-9.504145
-4.740403
4.127263
other
Tm1In1Cu4
6
216
90.4
mp-1225491
-6.384872
-4.356542
0.60373
other
Dy1Sb1Pd1
3
216
70.65
mp-12411
-6.420885
-6.800686
3.582353
other
Li2Zn1Ge1
4
216
55.83
mp-1222646
-6.883887
-7.423666
2.930744
other
Li2Mg1Hg1
4
216
72.15
mp-31168
-6.770225
-6.902887
3.463598
original
Li2Al1Ag1
4
216
60.77
mp-1215383
-5.797344
-3.945968
3.804352
other
Zr16Zn4Ag4
24
216
508.02
mp-13435
-9.073888
-1.612977
2.901376
other
Ce1Mg1Ni4
6
216
84.22
mp-1071811
-9.130242
-1.435758
2.841675
other
Dy1Cd1Ni4
6
216
84.2
mp-1206667
-6.357863
-4.923282
1.010148
other
Pr1Ni1Bi1
3
216
73.1
mp-999201
-5.708979
-2.78859
5.42652
other
Sc2Mn1Si1
4
216
64.9
mp-21418
-7.893747
-3.595906
2.489057
other
Mn1Sn1Pt1
3
216
60.21
mp-1226264
-5.516263
-0.209688
-5.744307
other
Cr4Ga1S8
13
216
240.67
mp-1222040
-5.126858
-1.258046
-5.80212
other
Mn4Cu8S8
20
216
327.04
mp-631502
-8.361432
-1.477214
2.688842
other
Cr1Ni2Hg1
4
216
57.35
mp-1212299
-8.221123
-6.516522
6.591065
other
Ho16Cd4Ni4
24
216
595.89
mp-631661
-6.606315
-5.843759
6.208924
other
Y2Fe1B1
4
216
67.15
mp-1223045
-7.069057
-4.771904
6.428151
other
La1Gd1Al4
6
216
128.93
mp-1025066
-8.500252
-0.745528
4.697213
other
Er1In1Co4
6
216
86.78
mp-1100396
-6.048993
-5.393139
3.621434
other
Li1Sn1B1
3
216
43.27
mp-1212892
-8.515069
-6.588111
6.719499
other
Dy16Cd4Ir4
24
216
621.67
mp-1100423
-7.913034
-3.1031
4.225181
other
V1Ge1Rh1
3
216
48.98
mp-1217173
12.340705
9.102545
2.436326
other
Ti16Mn8O4
28
216
420.16
mp-1206984
-6.387812
-3.615905
1.814369
other
Zr1Sb1Rh1
3
216
69.4
mp-1219091
-7.65725
0.021011
5.803915
other
Sm1Dy1Fe4
6
216
99.74
mp-1210546
-5.651881
1.794315
-5.228059
other
Mo4S4Cl4
12
216
235.63
mp-1212913
-7.981156
-6.7212
6.930756
other
Dy16Mg4Co4
24
216
612.39
mp-672702
-8.806231
-1.963821
3.092385
other
U1In1Ni4
6
216
86.12
mp-631422
0.192662
0.84564
-3.010143
other
Cu1Si1Br1
3
216
62.7
mp-3676
-9.330697
-4.592954
3.385203
other
Mg1Cu4Sn1
6
216
85.16
mp-1219911
-7.082341
-4.512503
6.412001
other
Pr1Ho1Al4
6
216
124.82
mp-1222924
-7.611238
-2.152488
4.615308
other
La1Ce1Os4
6
216
112.61
mp-999079
-6.357721
-3.117209
4.043087
other
Ti2Al1Cu1
4
216
62.73
mp-1206682
-6.309117
-4.870896
0.945866
other
Sm1Ni1Bi1
3
216
69.76
mp-1077293
-9.482994
-4.821324
4.130132
other
Gd1In1Cu4
6
216
93.52
mp-1094030
-5.920589
-1.820049
4.554658
other
Ti2Fe1Si1
4
216
54.1
mp-1213872
-7.27057
-5.884995
5.345258
other
Ce16Cd4Pt4
24
216
677.15
mp-1208455
-7.901649
-6.502341
6.623092
other
Tb16Cd4Ni4
24
216
613.2
mp-571363
-6.121596
-4.860977
0.743952
other
Yb1Sb1Pd1
3
216
72.98
mp-5951
-9.036494
-1.336893
3.071347
other
Ce1Mn1Ni4
6
216
83.35
mp-631566
0.201815
0.818747
-3.050414
other
Ta1Au1Br1
3
216
63.06
mp-1229225
-3.603141
-1.384297
-5.704451
other
Ag10B2S8
20
216
389.4
mp-1224182
-6.036906
-1.334343
3.869085
other
Hf1Ti1W4
6
216
108.09
mp-631531
-1.901901
-7.971164
2.267171
other
Nb1B1W1
3
216
51.34
mp-999083
-5.891633
-2.787978
3.82074
other
Ti2Mn1Sn1
4
216
65.77
mp-631552
-4.52662
-6.560326
1.824187
other
Sr1Bi1B1
3
216
100.75
mp-1215458
-7.0773
-4.266706
5.929679
other
Yb1Sc1Al4
6
216
117.42
mp-22782
-6.741914
-3.61329
3.115173
other
Ti1Ni1Sn1
3
216
58.29
mp-631322
-4.649444
-6.845145
1.980473
other
K1Sn1Os1
3
216
75.35
mp-976181
5.330685
-0.455328
-2.958839
other
Na1B1H4
6
216
55.04
mp-569197
-6.127971
-3.914107
0.767853
other
Gd1Ni1Sb1
3
216
64.76
mp-1222020
-5.609879
-2.528
-4.258991
original
Mn4Cu8Se8
20
216
372.73
mp-12719
-6.965457
-6.305149
4.40299
other
Li1Nd1Sn1
3
216
76.53
mp-1212923
-8.397878
-6.542684
6.692742
other
Dy16Mg4Ir4
24
216
641.41
mp-631255
-4.137748
-4.661971
5.733338
other
In1Si1Ir1
3
216
59.98
mp-631320
-7.534423
-1.626416
4.326136
other
Tc1Ir1Os1
3
216
51.41
mp-631392
-5.371325
-1.541299
3.864658
other
Sr1Hf1Re2
4
216
75.56
mp-631343
-5.540128
-1.272083
3.975593
other
La1Re2W1
4
216
72.05
mp-631269
-8.576271
-3.042003
3.766589
other
Li1Ir1Rh1
3
216
42.17
mp-1227279
-5.299248
-1.187276
4.550752
other
Be4Al1Ni1
6
216
53.96
mp-1227272
-5.308007
-1.022093
4.623939
other
Be4Al1Fe1
6
216
53.21
mp-1072586
-9.119979
-1.5181
2.749692
other
Sm1Cd1Ni4
6
216
86.71
mp-20768
-6.192967
-4.123743
0.866548
other
Zn1Fe1Sb1
3
216
60.16
mp-1100435
-4.415582
-0.749098
3.505321
other
Zr1Cu1B1
3
216
42.38
mp-631513
-4.367291
-6.982932
3.172149
other
K1Ba2Re1
4
216
149.04
mp-31455
-6.455598
-3.234299
0.808794
other
V1Sb1Ru1
3
216
55.21
mp-1222600
-6.566221
-6.907797
3.061336
other
Li2Zn1Sn1
4
216
66.9
mp-759476
10.209629
0.271458
0.757925
other
Li4Mn1F7
12
216
151.3
mp-1208870
-8.000723
-6.754136
6.75914
other
Sm16Mg4Pt4
24
216
702.97
mp-27407
12.438721
6.079467
-0.893642
other
Ca12Be17O29
58
216
698.95
mp-1025033
-8.475248
-0.734037
4.682424
other
Lu1In1Co4
6
216
86.25
mp-631318
-6.161228
-2.076513
4.562536
other
K1Si1Tc2
4
216
66.74
mp-1009020
8.571908
9.048684
0.093952
other
K1Cu1O1
3
216
50.63
mp-961703
-5.737851
-6.73162
2.814792
other
Na1Li1Pt1
3
216
64.46
mp-30820
-7.88653
-4.921559
4.161338
other
Li2Al1Rh1
4
216
54.24
mp-1065918
-7.423524
-1.364012
3.641382
other
Mn2Cu1Ge1
4
216
52.79
mp-22786
-7.449703
-4.731431
3.773522
other
Th1Ni1Sn1
3
216
70.61
mp-999068
-6.009624
-2.312018
4.22093
other
Ti2Al1V1
4
216
63.62
mp-1184041
-4.03703
-1.240877
-5.824372
other
Cu1Sn4S8
13
216
297.88
mp-961654
-5.536973
-2.364599
2.537552
other
Ta1Mn1As1
3
216
55.72
mp-961657
-5.217289
-1.747989
0.932497
other
Y1Ni1P1
3
216
53.22
mp-36751
-4.085946
-1.361587
-5.79932
other
In5Ag1S8
14
216
322.34
mp-631427
-0.166423
1.437429
-4.304178
other
Cu1Ir1Br1
3
216
54.39
mp-961677
-7.507005
-4.188333
3.153449
other
Ta1Ga1Pt1
3
216
58.02