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-621619
-7.943752
-4.437309
4.59727
other
Gd3Cu4Ge4
11
71
195.97
mp-1093934
-2.301263
-8.406627
1.491877
other
Mg2Ni1Pt1
4
71
757.84
mp-1097155
-2.101957
-8.433331
1.69648
other
Zr1Sc1Pt2
4
71
818
mp-971844
-8.158285
-6.338881
6.750831
other
Tm12Ga2Co4
18
71
407.56
mp-1096620
-2.478956
-8.557037
1.343992
other
Cd2Pd1Pt1
4
71
924.29
mp-1096218
-2.832944
-8.325166
1.74327
other
Y2Tl1Cu1
4
71
1,377.97
mp-1097515
-3.530755
-7.763266
1.526198
other
K2Ag1Au1
4
71
1,456.82
mp-1093543
-2.914101
-8.469744
1.541712
other
Y1Ag2Pb1
4
71
1,231.97
mp-1093652
-2.768676
-8.379894
1.428331
other
In2Ga1Sn1
4
71
1,361.82
mp-1093672
-3.584632
-7.760952
1.739424
other
Ba2Cd1In1
4
71
1,883.37
mp-1095854
-2.50998
-8.410042
1.624352
other
Mg1Zr1Ag2
4
71
1,115.86
mp-15009
-8.076618
-3.267575
4.516813
original
La3Ge4Rh4
11
71
225.62
mp-1096212
-2.639591
-8.492401
1.370382
other
Mn1Zn1Au2
4
71
830.63
mp-1097550
-1.884882
-8.270912
2.038289
other
Hf1Ti1Be2
4
71
757.2
mp-1093819
-2.83749
-8.371023
1.583638
other
Li1Sc1Cd2
4
71
1,273.47
mp-1096712
-3.357523
-8.188478
1.721414
other
Sr1La1Tl2
4
71
1,697.56
mp-15722
-5.760511
0.69215
3.303947
other
Fe2B4Mo1
7
71
58.3
mp-1095913
-2.93683
-8.313631
1.650622
other
Li1La1In2
4
71
1,371.95
mp-1096706
-3.195846
-8.163183
1.714805
other
Sr2Pd1Au1
4
71
1,305.8
mp-1097548
-2.006293
-8.202291
1.794728
other
Mg1Ti1Ni2
4
71
700.18
mp-1096670
-2.005074
-8.331152
1.916248
other
Sc1Al2Os1
4
71
939.45
mp-1096379
-2.116669
-8.355121
1.561818
other
Al1Ni1Rh2
4
71
667.41
mp-1095719
-2.400902
-8.418505
1.612474
other
Y1Ga1Pd2
4
71
971.33
mp-13532
-7.962311
-5.538754
5.765478
other
La2Zn1Ni2
5
71
103.04
mp-1096378
-3.443148
-8.714061
1.098066
other
Sr1Hg2Bi1
4
71
1,409.58
mp-1097393
-2.51655
-8.333353
1.45578
other
Mg2Cd1Rh1
4
71
1,331.96
mp-1095984
-2.942847
-8.223481
1.367524
other
Li2Hg1As1
4
71
870.22
mp-1225446
-7.49918
0.779607
4.541984
other
Dy1Fe10Mo2
13
71
173.66
mp-1093579
-2.310558
-8.321706
1.518237
other
Mg2Ir1Pd1
4
71
851.77
mp-1261855
-2.005358
-8.355778
1.819466
other
Al2Fe1Rh1
4
71
637.46
mp-1093967
-2.243737
-8.380263
1.678863
other
Al2Cu1Rh1
4
71
603.95
mp-1093928
-1.867551
-8.212832
2.263447
other
Ta1Mn1Re2
4
71
767.57
mp-1098700
-3.048926
-8.294742
1.6154
other
K1La1Au2
4
71
1,335.36
mp-1096427
-1.899707
-8.398688
2.06724
other
Ga1Si1Tc2
4
71
749.08
mp-1096121
-3.582894
-8.411643
1.128238
other
K1Tl1Hg2
4
71
1,361.62
mp-1213103
-8.039442
-6.523921
6.81041
other
Dy12Co5Bi1
18
71
440.5
mp-1093963
-3.32045
-8.257422
1.200818
other
Na2Hg1Sb1
4
71
1,276.05
mp-19183
8.590362
12.66356
-0.403363
other
Li2Ni1O2
5
71
48.48
mp-1096470
-2.198259
-8.519686
1.858113
other
Zr2Pd1Pt1
4
71
887.46
mp-1096169
-2.643859
-8.543189
1.338552
other
Cd2Ag1Pt1
4
71
992.69
mp-1097193
-1.972455
-8.452236
1.564585
other
Mg1Ti1Pt2
4
71
837.19
mp-1097507
-2.439862
-8.392141
1.777499
other
Hf1Mg1Cu2
4
71
801.49
mp-1097201
-3.068647
-8.566684
1.268975
other
Cd1In2Hg1
4
71
1,286.4
mp-1096544
-2.156327
-8.357444
1.559995
other
Li1Mn1Rh2
4
71
703.61
mp-1093973
-3.407578
-7.498829
1.643362
other
Ba2Pd1Pt1
4
71
1,383.81
mp-1093617
-2.4691
-8.509514
1.531839
other
Cu2Pt1Au1
4
71
411.42
mp-1208240
-8.160296
-6.404091
6.641261
other
Tm12In2Co4
18
71
427.22
mp-1096023
-2.13672
-8.33584
1.668058
other
V1Zn1Co2
4
71
561.49
mp-1095949
-2.658847
-8.583308
1.527385
other
Ti1Cd1Au2
4
71
1,265.61
mp-1097199
-2.78355
-8.282755
1.37627
other
Mg2Cd1In1
4
71
1,145.91
mp-1221937
10.152538
12.913176
-0.286663
other
Mn2Ni1O3
6
71
64.19
mp-1096278
-3.201388
-8.267214
1.457927
other
Na1Li1Tl2
4
71
1,556.91
mp-1096674
-3.15993
-8.102605
1.756255
other
Li2Ca1Mg1
4
71
1,465.22
mp-1096254
-2.271005
-8.39378
1.6263
other
Mg1Co2Ge1
4
71
717.23
mp-1093945
-2.138971
-8.4943
1.574199
other
Ga2Co1Ni1
4
71
691.61
mp-2873
-4.355823
1.492782
3.084565
other
Ce1Cr2B6
9
71
82.85
mp-1093750
-2.713733
-8.619508
1.496015
other
Sc1Ag1Au2
4
71
982.28
mp-1096071
-1.842024
-8.392068
2.056025
other
Hf2Tc1Pt1
4
71
931.03
mp-1096235
-2.529273
-8.320523
1.788388
other
Mg1Sc2Ga1
4
71
1,188.87
mp-1095909
-1.906137
-8.107671
2.204293
other
Li1Ta2Re1
4
71
1,333.58
mp-1225665
-8.757756
-4.274653
4.704439
other
Dy1Al6Cu6
13
71
184.56
mp-1096209
-2.164778
-8.4163
1.735097
other
Li1Be2Pt1
4
71
570.22
mp-1097340
-2.017838
-8.458276
1.576187
other
Ga1Co1Rh2
4
71
653.97
mp-1207628
-8.110321
-4.54528
3.623466
other
Y4Ge8Pd4
16
71
308.94
mp-1093802
-2.459358
-8.483153
1.416585
other
Li1Ag1Pd2
4
71
845.4
mp-1096238
-2.319402
-8.332995
1.821677
other
Y2Os1Pd1
4
71
1,016.4
mp-1096269
-2.822745
-8.315712
1.679575
other
Li1Y1Zn2
4
71
1,106.73
mp-1096222
-1.526807
-8.290821
2.374073
other
Nb2V1Re1
4
71
806.62
mp-1097673
-1.807411
-8.433859
2.270581
other
Zr2Re1Tc1
4
71
837.87
mp-3816
-8.160062
-6.210698
6.093287
other
Er12Ni4Sn2
18
71
444.75
mp-1225092
-6.964003
0.092947
5.058439
other
Er1Al6Fe6
13
71
182.13
mp-1097152
-2.037371
-8.314777
1.936986
other
Mn2Al1Mo1
4
71
832.11
mp-1097161
-2.820086
-8.229402
1.771665
other
Sr1Y1Pd2
4
71
1,215.86
mp-1096627
-1.716307
-8.111619
2.253736
other
Ta2Mn1W1
4
71
854.21
mp-1229164
-4.34135
-3.665049
-3.329407
other
Cs1Th2Se6
9
71
286.85
mp-1097391
-2.422858
-8.32731
1.699038
other
Sc2In1Pt1
4
71
1,076.42
mp-1097598
-2.511988
-8.46874
1.545325
other
Zn1Ga1Cu2
4
71
584.5
mp-1097654
-2.100853
-8.354109
1.84023
other
Mn2Co1Tc1
4
71
636.09
mp-1096156
-1.688894
-8.401433
2.135399
other
Al1V2W1
4
71
751.12
mp-1096446
-1.780332
-8.236587
2.092734
other
Y1Ta1Os2
4
71
954.02
mp-1097678
-1.429167
-8.190147
2.409562
other
Ta2Mo1W1
4
71
820.63
mp-1093700
-2.455118
-8.31603
1.65271
other
Ca1Y1Pt2
4
71
1,087.8
mp-1093784
-2.645552
-8.468162
1.423106
other
Mg1Al1Au2
4
71
886.65
mp-1096365
-2.443191
-8.491324
1.491424
other
Zn2Co1Cu1
4
71
699.48
mp-1097424
-2.779958
-8.424566
1.54937
other
Y1Zn2Ag1
4
71
1,108.32
mp-1096147
-1.691831
-8.563597
1.822593
other
V1In1Ru2
4
71
1,269.67
mp-1097373
-3.057891
-8.691227
1.285076
other
Sc1In1Hg2
4
71
1,222.83
mp-1217834
-6.95661
-1.368749
5.289701
other
Tb1Mn6Al6
13
71
186.54
mp-1097593
-2.608129
-8.488414
1.187587
other
Cu1Sb1Pd2
4
71
738.39
mp-676249
11.240376
8.777057
2.26453
other
Sr1U2O6
9
71
120.92
mp-1095855
-2.147577
-8.507188
1.417044
other
Li1Zn1Pt2
4
71
739.61
mp-1177102
-4.327576
-1.161885
-5.515377
other
Li5Fe1S4
10
71
165.81
mp-1093537
-3.109455
-8.307844
1.513682
other
Tl1In2Pb1
4
71
1,198.33
mp-1097595
-2.093064
-8.49623
1.461325
other
Be1In1Pt2
4
71
821.78
mp-1093980
-2.793895
-8.506824
1.704627
other
Sc2Ga1Hg1
4
71
1,109.45
mp-1096697
-2.558646
-8.37001
1.720519
other
Y1Al1Cu2
4
71
907.83
mp-1095728
-2.344215
-8.233308
1.528721
other
Li1P1Pd2
4
71
754.54
mp-1095768
-2.747348
-8.410553
1.762696
other
Y2Zn1Cd1
4
71
1,407.25
mp-1096047
-2.678485
-8.543177
1.59331
other
Sc1Cu1Au2
4
71
912.23
mp-1198314
-7.588965
-2.672152
2.693209
other
Sm3Mn18Sn18
39
71
706.8