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-1211878
-5.314948
-5.512881
0.902116
other
Li3Pr2Sb3
8
123
244.32
mp-1207316
-2.932619
-8.210872
1.404389
other
Nd2Cu1Sb3
6
123
11,111.58
mp-1206913
1.007536
1.730392
-3.406874
other
Yb2Br2O1
5
123
544.88
mp-1226474
-8.279532
-4.122283
2.596038
other
Ce1Pd2Pt1
4
123
71.18
mp-1078085
1.534018
2.784133
-5.988814
other
Cs2Pd1Cl4
7
123
263.53
mp-1207289
1.466565
1.826636
-3.840191
other
Eu2Cl2F1
5
123
481.11
mp-1211519
-3.004884
-8.152251
1.335389
other
Nd2Sb3Pd1
6
123
1,478.57
mp-1222004
-7.537506
-4.714853
5.541676
other
Mg1Sc5Al4
10
123
198.73
mp-1216749
-7.848699
-2.403714
2.692696
other
Ti1Ni2Sn1
4
123
59.64
mp-1206937
-3.838391
-6.529523
1.045331
other
K2Mg1As2
5
123
193.05
mp-1219714
10.786857
8.882599
3.244811
other
Pr1Pa1O4
6
123
82.73
mp-1184674
12.231564
9.288754
2.055233
other
Ho2Hf2O5
9
123
124.95
mp-1386275
6.970615
8.755451
-2.212537
other
Al1Bi3O9
13
123
162.32
mp-1219710
-7.940219
-8.895441
7.008545
other
Pr1Y1Mg2
4
123
115.83
mp-1207329
-2.850577
-7.901352
1.448253
other
Ho2Cu1As3
6
123
7,406.68
mp-1102482
-7.958112
-4.470586
5.552648
other
Gd2Ga8Co1
11
123
197.27
mp-1226705
-6.06676
-3.516341
-2.312703
other
Cd1Te2Pb1
4
123
129.04
mp-1217021
-7.937805
-2.032646
2.809134
other
Ti1Al1Ni2
4
123
50.63
mp-4732
-7.860745
-3.807124
5.174571
other
U1Ga5Co1
7
123
120.46
mp-1228918
-8.128178
-1.598781
2.535501
other
Al1Ga1Ni6
8
123
88.07
mp-1227176
-3.129254
-2.316133
-5.37885
other
Ca1Eu1S2
4
123
97.95
mp-1208244
0.140472
1.225275
-3.570995
other
Th2Br2N1
5
123
211.85
mp-1218925
-5.940816
-3.483996
-2.252926
other
Sn1Te4Pb3
8
123
274.37
mp-1147748
9.295981
12.066026
0.907178
other
Ti1Cu1O3
5
123
60.86
mp-1219250
-3.381003
-3.77738
-2.895326
other
Sc1U1S2
4
123
79.82
mp-1225499
-2.823346
-2.485091
-5.856565
other
Er1Ag1S2
4
123
82.89
mp-1214268
-3.120984
-8.091517
1.95462
other
Ca2Mn1Si2
5
123
633.03
mp-1022804
-7.039203
-10.369107
6.418759
other
Sr1Y1Mg6
8
123
221.06
mp-1184187
11.78053
8.835186
2.300904
other
Er2Pa2O5
9
123
164.72
mp-1025385
-7.892015
-3.198147
2.230859
other
Ag1P1Pt5
7
123
111.79
mp-1396182
8.599025
11.981677
0.383598
other
Y2Cr3O9
14
123
164.39
mp-1539446
1.595657
2.778109
-5.825587
other
Cs4Pt2Cl8
14
123
525.61
mp-1185023
12.132311
9.078643
1.244189
other
La2Si2O5
9
123
114.39
mp-1226706
8.63026
10.900753
-0.610041
other
Cd1Ni1O2
4
123
47.23
mp-1215308
-7.860116
-2.170583
3.238776
other
Zr1Al1Ni2
4
123
55.93
mp-980386
8.769065
8.308017
1.925135
other
Yb2Nd2O5
9
123
160.88
mp-1221718
-8.478228
-3.98536
2.285125
other
Mn1Al1Pd2
4
123
59.45
mp-19842
10.922089
10.754428
0.730811
other
Ca1Fe1O2
4
123
51.79
mp-1206508
-2.886903
-8.214332
1.372527
other
Pr2Mn1Sb3
6
123
3,730.91
mp-1224506
-8.238055
-1.651298
2.66283
original
Hf1Al3Ni12
16
123
187.16
mp-1215362
-8.703876
-6.198102
2.789827
other
Zr1In1Au2
4
123
84.24
mp-1206159
-2.347934
-7.876724
1.589963
other
La2P3Rh3
8
123
640.44
mp-36734
9.95013
8.846414
3.266075
other
Ce1Th1O4
6
123
84.16
mp-1226494
11.262197
8.873482
2.758633
other
Ce1Pa1O4
6
123
81.54
mp-1042189
9.730485
9.265491
0.394673
other
Ba2Sb3O8
13
123
200.04
mp-1216746
-8.352754
-6.660907
5.765697
other
Tm2In1Ag1
4
123
96.04
mp-1206946
-6.867913
-6.086483
5.877716
other
Ho2Ti1Ge2
5
123
128.6
mp-1219004
-5.797021
-5.08244
1.019499
other
Sm1Ga1Sb2
4
123
118.89
mp-1229039
-8.126915
-1.638865
2.42009
other
Al3Zn1Ni12
16
123
181.75
mp-1025288
-8.0733
-3.765243
5.355406
other
Tb1Ga5Co1
7
123
118.25
mp-1228914
-8.121751
-1.51587
2.501698
other
Al4Cr1Ni15
20
123
218.49
mp-19990
7.788448
5.336692
-1.426468
other
Ba1Ti1O3
5
123
85.16
mp-1220682
8.560563
1.131794
1.762512
other
Na1Y1F4
6
123
77.58
mp-1078074
-7.795608
-3.949858
4.684716
other
U1Ga5Pt1
7
123
128.99
mp-1017988
9.380857
8.532593
1.958094
other
Sr1Ca1O2
4
123
64.1
mp-1212779
0.731609
1.27509
-3.483341
other
Er2Br2O1
5
123
215.78
mp-1223436
-4.817849
-3.18135
-3.632257
other
K1Bi1Se2
4
123
118.83
mp-1207297
1.479592
2.013191
-3.674498
other
Ac2Br2O1
5
123
297.74
mp-1206162
1.153523
1.703429
-3.564057
other
Y2Cl2O1
5
123
222.63
mp-1385938
7.930193
12.204066
-1.056304
other
Ca1Fe2O4
7
123
98.62
mp-1206586
1.586695
1.908457
-3.648285
other
Eu2H1Cl2
5
123
452.1
mp-1224170
-2.93072
-0.132855
2.752508
other
Hf1Zr1C2
4
123
51.03
mp-1079768
2.617351
-0.467306
-1.461786
other
Ti4H2Pd2
8
123
100.03
mp-1095593
-7.991179
-5.82617
4.683583
other
Ho2In8Co1
11
123
258.02
mp-1094124
4.002637
-0.222799
-2.41954
other
Li1P1H2
4
123
38.56
mp-1223073
-2.125841
0.471146
2.3615
other
La3Dy1C8
12
123
196.93
mp-1220704
-4.248068
-4.091293
-3.798037
other
Na1La1Se2
4
123
112.97
mp-753619
9.272982
8.489552
2.015579
other
Ba1Sr1O2
4
123
80.11
mp-1206496
0.665631
1.356588
-3.196601
other
Ba2I2F1
5
123
735.62
mp-1222263
10.811924
8.906459
3.171332
other
Lu1Pa1O4
6
123
74.2
mp-1205976
12.020537
10.434164
2.507556
other
Nd1Ta2O6
9
123
126.83
mp-1226462
-8.46495
-4.327682
2.484293
other
Ce1Y1Pd6
8
123
139.22
mp-1222015
-8.493244
-6.091711
2.138402
other
Mg1Cd1Au2
4
123
72.74
mp-1226481
7.43551
8.425072
-0.107366
other
Ce1Pr1O4
6
123
87.43
mp-1209838
0.983874
1.793455
-3.437608
other
Nd2Br2O1
5
123
248.48
mp-1206807
-3.004876
-8.28743
1.384839
other
Yb2Cu1Sb3
6
123
4,548.46
mp-1184810
11.951091
9.021057
2.005126
other
Ho2Pa2O5
9
123
142.06
mp-623006
-7.941076
-3.550649
4.874955
other
U1Ga5Ir1
7
123
127.6
mp-1207505
-5.502367
-3.836699
2.183308
other
Zr2Ge1Sb2
5
123
132.85
mp-1206835
-3.250896
-7.979145
1.005531
other
Na2Zn1Sb2
5
123
635.58
mp-1025193
-7.862267
-3.482534
5.121036
other
Hf1Ga5Co1
7
123
109.46
mp-861959
11.216839
8.61972
2.272775
other
Eu2Al2O5
9
123
108.15
mp-1219665
11.221978
9.001451
2.995674
other
Pu1Pa1O4
6
123
80.02
mp-1225305
10.472742
9.000742
3.215127
other
Eu1Pa1O4
6
123
79.4
mp-1206109
-2.933578
-7.826984
1.257864
other
Pr2Cu1As3
6
123
2,774.91
mp-1206770
-7.980947
-3.945596
4.956534
other
Np1Ga5Rh1
7
123
127.02
mp-1207991
-2.578324
-8.158221
2.245591
other
Y2Ti1Si2
5
123
2,858.62
mp-1228893
-7.537802
-1.219504
3.600915
other
Al1Ga1Co2
4
123
45.66
mp-1208297
-4.308723
-5.759231
1.636922
other
Th2Sb1Se2
5
123
183.17
mp-1207307
-5.045808
-3.875416
1.607497
other
U2Br2O1
5
123
160.95
mp-863749
10.17891
9.890283
3.741458
other
Rb2Hf2O5
9
123
146.5
mp-1215127
-5.540532
-7.121051
2.987208
other
Ba4Mg5Sn7
16
123
621.41
mp-1025329
-7.754027
-3.208955
2.572453
other
Tl1Si1Pt5
7
123
114.06
mp-1223281
-3.604119
1.83933
2.942741
other
La1Ce3B24
28
123
280.31
mp-1227562
-6.778095
-7.057148
3.606879
other
Ca4Cd3Au1
8
123
218.75
mp-1184645
10.110342
8.875203
3.221335
other
Ho2Mg2O5
9
123
107.48
mp-1216917
-8.057766
-2.096867
2.931271
other
Ti1In1Ni2
4
123
58.66
mp-1225505
-8.361423
-6.59481
5.513265
other
Er2In1Ag1
4
123
97.22
mp-1213420
-2.825948
-8.411075
1.220973
other
Eu2Sb3Pd3
8
123
1,231.26
mp-1228506
-8.198969
-1.547014
2.55464
other
Al4V1Ni15
20
123
225.38