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-755372
10.398836
12.841591
0.239036
other
Li4Mn2O4
10
71
111.33
mp-1097529
-3.409897
-8.130547
1.574448
other
Ba1Tl2Pb1
4
71
2,113.86
mp-1097541
-2.682246
-8.439914
1.372669
other
Mg2Hg1Pd1
4
71
1,075.67
mp-1093607
-1.9155
-8.268704
2.061764
other
Hf2Mn1Co1
4
71
1,244.09
mp-1097669
-2.247867
-8.480809
1.518815
other
Zn1Ga1Co2
4
71
633.37
mp-1095789
-2.671449
-8.340679
1.752554
other
Sc2Zn1In1
4
71
1,223.55
mp-1093538
-1.748712
-8.353935
2.123228
other
Mn1V2Re1
4
71
700.22
mp-1095816
-2.447617
-8.460757
1.400767
other
Mg2Pt1Au1
4
71
897.37
mp-1097451
-2.13455
-8.377638
1.459736
other
Sc1Mn1Pt2
4
71
854.24
mp-1097554
-2.425067
-8.550154
1.390629
other
Zn2Ag1Rh1
4
71
825.72
mp-1097285
-4.151411
-6.986961
1.633614
other
Cs2Ag1Au1
4
71
1,862.11
mp-1097437
-1.548774
-8.185097
2.26608
other
Ti2Co1Mo1
4
71
742.18
mp-1217031
-7.425435
0.400574
4.286452
other
U1Fe10Re2
13
71
166.09
mp-1097211
-1.552235
-8.432627
2.081017
other
Ti1V2Os1
4
71
718.93
mp-1097661
-2.912796
-8.345267
1.616265
other
Li1Y1Cd2
4
71
1,317.09
mp-1096757
-1.723468
-8.433646
2.294382
other
Nb1Cr2Re1
4
71
736.49
mp-1093684
-2.280886
-8.480584
1.573936
other
Be1Al1Pd2
4
71
665.9
mp-1097079
-3.075175
-8.552423
1.367377
other
Sc1Cu1Hg2
4
71
1,090.19
mp-1172877
-7.350379
-1.746359
2.650705
other
Ho3Fe18Sn18
39
71
685.09
mp-1097430
-1.614339
-8.595547
2.098155
other
Mn1Ru2W1
4
71
729.88
mp-582572
-7.736148
-3.2705
4.657907
other
Er4Ni4Ge8
16
71
267.12
mp-1097295
-1.737986
-8.32548
1.945891
other
Ti2Ir1Pd1
4
71
771.81
mp-1096000
-1.726508
-8.300275
2.331195
other
Zr1Ta1Re2
4
71
915.48
mp-1095773
-2.550967
-8.480694
1.796385
other
La2Ru1Au1
4
71
851.45
mp-1095406
-5.206303
-6.056394
0.73147
other
Ba3Li4Sb4
11
71
322.09
mp-1095758
-1.878605
-8.592216
1.86783
other
Be1As1Ru2
4
71
644.49
mp-1093654
-2.818252
-8.475017
1.681902
other
Y2Cu1Hg1
4
71
1,161.64
mp-1096625
-1.867224
-8.363785
2.090141
other
Si1Tc2Ge1
4
71
711.46
mp-1097553
-1.480222
-8.259
2.225236
other
Ti2V1Os1
4
71
660.4
mp-1096343
-1.900166
-8.301514
2.131563
other
V1Re2Si1
4
71
679.14
mp-1096184
-3.881972
-7.625989
1.456115
other
Rb2Hg1Te1
4
71
1,717.29
mp-1096153
-3.695965
-7.813253
1.595725
other
Ba2Tl1Hg1
4
71
1,897.51
mp-1096325
-3.323017
-8.608751
1.332849
other
Y1Tl1Hg2
4
71
1,382.43
mp-1093730
-2.381128
-8.497231
1.479689
other
Cd1Rh2Pb1
4
71
993.64
mp-676296
10.688661
9.201187
0.249493
other
U1Bi4O8
13
71
215.4
mp-1096241
-2.625496
-8.352398
1.74442
other
Mg1Sc2Ag1
4
71
1,232.26
mp-1093542
-1.559109
-8.300843
2.30409
other
Nb2Re1Ru1
4
71
567.32
mp-1224157
8.863889
1.950387
1.888336
other
K2U1F6
9
71
153.1
mp-1097625
-1.57912
-8.240314
2.366373
other
Ti1Nb2W1
4
71
788.04
mp-1097120
-2.881285
-8.319737
1.678671
other
Li1Si1Ag2
4
71
862.08
mp-1097602
-2.90757
-8.182235
1.984811
other
La2Mg1Al1
4
71
1,710.14
mp-1097398
-2.166434
-8.269482
2.083937
other
Fe1Si2Tc1
4
71
659.98
mp-1096060
-1.588291
-8.167727
2.365309
other
Ta1Nb2Re1
4
71
923.74
mp-10245
-5.463659
-3.697006
5.060549
other
Hf3Cu4Si4
11
71
159.04
mp-1093539
-3.286863
-8.07583
1.917336
other
Ca2Al1Zn1
4
71
1,281.35
mp-1097352
-1.516743
-8.212886
2.340937
other
Nb2Fe1Mo1
4
71
739.04
mp-1096161
-2.694198
-8.339943
1.868594
other
Sc2Tl1Fe1
4
71
1,235.77
mp-27323
11.061149
10.986036
0.769106
other
Ba1Mn2O3
6
71
86.44
mp-1096615
-1.475815
-8.126198
2.394946
other
Ta2V1Mo1
4
71
786.77
mp-1093846
-2.461233
-8.423659
1.776799
other
Hf1Ga1Cu2
4
71
761.79
mp-1093917
-1.595303
-8.272489
2.223444
other
Ti2Be1Re1
4
71
1,120
mp-1095962
-2.950808
-8.460636
1.249606
other
Li1Ag2Bi1
4
71
1,082.2
mp-1093591
-1.627265
-8.33706
2.147561
other
Hf1Nb1Ru2
4
71
797.97
mp-1097343
-1.986976
-8.374461
1.996394
other
Hf2Zn1Ir1
4
71
962.4
mp-7377
-5.527291
-6.891779
3.239664
other
Ba3Al2Sn2
7
71
253.77
mp-11438
-7.488
0.057775
4.645392
other
Sc1Ga6Fe6
13
71
179.78
mp-1097071
-2.683933
-8.21839
1.825438
other
Li1Y2Co1
4
71
1,163.61
mp-1096635
-2.102185
-8.404928
1.78521
other
Li1Cr1Ir2
4
71
713.06
mp-1097646
-2.067598
-8.576186
1.613054
other
Be1Al1Pt2
4
71
659.08
mp-1093912
-3.322352
-8.795139
1.085785
other
Ca1Hg2Bi1
4
71
1,311.01
mp-1225404
-7.638188
0.788216
4.797651
other
Gd1Cr2Fe10
13
71
167
mp-1104013
-8.105565
-4.820532
4.795371
other
Dy3Ga9Pd2
14
71
258.4
mp-1097563
-1.49071
-8.40073
2.426826
other
Ta1Re1W2
4
71
779.8
mp-1097658
-3.705954
-7.865911
1.876244
other
Ba1Na2Sr1
4
71
2,479.37
mp-1097258
-2.687378
-8.56488
1.251819
other
Cd1Hg1Pd2
4
71
939.48
mp-1096415
-1.765447
-8.409882
2.188407
other
Hf1Sc1Tc2
4
71
841.79
mp-1215778
8.970212
11.537664
-0.396141
other
Zn2Ni1O3
6
71
59.62
mp-1096573
-2.476961
-8.347046
1.794113
other
Sc2Zn1Co1
4
71
898.34
mp-1093927
-3.444522
-7.953087
1.690169
other
Ba1Sr1Ag2
4
71
1,655.46
mp-1095870
-3.030027
-8.365464
1.531604
other
Ca2Hg1Ge1
4
71
1,363.4
mp-1095790
-2.696008
-8.34359
1.306692
other
Mg2Zn1Ag1
4
71
1,034.93
mp-1093852
-2.210074
-8.388527
1.627469
other
Y1Sc1Pt2
4
71
1,092.25
mp-1093586
-1.804799
-8.336079
2.199355
other
Hf2V1Tc1
4
71
858.69
mp-1097327
-2.232357
-8.391479
1.557486
other
Y1Sb1Rh2
4
71
917.94
mp-1201703
-7.419016
-1.742084
2.650546
other
Y3Fe18Sn18
39
71
686.25
mp-1097248
-2.85237
-8.236536
1.797244
other
Y2Mg1Tl1
4
71
1,558.83
mp-27713
1.886742
1.994732
-3.833809
other
V1Br2O1
4
71
86.85
mp-1097298
-1.745807
-8.38096
2.204097
other
Hf1Si1Tc2
4
71
825.24
mp-1093583
-3.434695
-8.35206
1.093745
other
Na2Hg1Bi1
4
71
1,425.32
mp-1097108
-3.760086
-7.43354
1.103918
other
K2Hg1Te1
4
71
1,419.03
mp-1096436
-3.301781
-8.226008
1.34629
other
Tl2In1Sn1
4
71
1,257.04
mp-1095915
-3.065617
-8.426173
1.356271
other
Na1Ag2Pb1
4
71
1,228.8
mp-1080481
3.042817
3.27487
-4.233856
other
Sb1Cl6O2
9
71
275.61
mp-1097452
-3.103544
-8.651925
1.235224
other
Ca1Hg2Pd1
4
71
1,321.59
mp-1093982
-2.246171
-8.497666
1.62525
other
Ti1Cd1Pd2
4
71
1,193.64
mp-1096671
-2.528367
-8.434637
1.535394
other
Li1Cu2Pd1
4
71
631.61
mp-1096714
-1.664944
-8.520319
2.244327
other
Zr1Cr1Tc2
4
71
858.97
mp-1219640
-1.063795
2.699646
-3.194024
other
Rb3I2Br1
6
71
286.01
mp-1068286
-7.819596
-6.027319
3.392627
other
Ca2Cd1Pd2
5
71
113.83
mp-1097392
-1.876858
-8.335916
2.128705
other
Hf2Mn1Tc1
4
71
841.6
mp-1188624
-8.02301
-6.475272
6.653487
other
Tb12Ga2Co4
18
71
443.87
mp-1106223
-7.781122
-4.183762
3.809409
other
Nd4Ge8Pt4
16
71
328.22
mp-1248716
-1.999733
-8.39159
1.804517
other
Al2Os1Pd1
4
71
1,118.69
mp-1093644
-2.389065
-8.386593
1.748899
other
Sc2Cd1Ru1
4
71
1,146.27
mp-1096738
-1.679767
-8.357957
2.119685
other
Zr1Ta1Ru2
4
71
768.73
mp-1096679
-2.656057
-8.265894
1.461886
other
Mg2In1Ga1
4
71
1,094.19
mp-1093974
-1.860828
-8.345367
1.961093
other
Cr1Tc1Ge2
4
71
720.92
mp-1093797
-2.047627
-8.361287
1.842789
other
Ti1Be2Pd1
4
71
606.84
mp-1096061
-2.984529
-8.504403
1.337164
other
Ca1Bi1Au2
4
71
1,189.19
mp-1096391
-3.556317
-7.681699
1.750723
other
Ba2Tl1Pd1
4
71
1,866.19