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-1096342
-3.178246
-8.535098
1.142825
other
In2Hg1Bi1
4
71
1,246.42
mp-1095839
-2.521595
-8.366586
1.734115
other
Sc2Cu1Ni1
4
71
568.31
mp-505632
-4.445323
-1.277251
-5.056405
other
Cs2Fe2S4
8
71
230.31
mp-540584
8.684668
9.63113
0.086332
other
K2Pd1O2
5
71
80.73
mp-1096739
-2.169727
-8.391476
1.537584
other
Na1Sn1Rh2
4
71
1,017.33
mp-759619
11.701772
-0.376942
0.583735
other
Mn6O4F10
20
71
318.83
mp-1188677
-7.743499
-4.126977
3.533663
other
Yb4Ge8Pt4
16
71
316.42
mp-1095725
-3.193946
-8.54776
1.359261
other
In1Hg1Pb2
4
71
1,187.68
mp-1097261
-2.138885
-8.268084
1.796417
other
Y1Hf1Rh2
4
71
933.21
mp-1097179
-1.987714
-8.378688
2.069049
other
Zn1Si1Tc2
4
71
759.49
mp-1097175
-1.484294
-8.212178
2.325891
other
Nb2Mo1Rh1
4
71
755.93
mp-862893
10.74637
11.679107
3.075482
other
Th3Nb12O36
51
71
758.49
mp-616492
-7.81889
-4.068867
3.76481
other
Dy4Ge8Pt4
16
71
307.39
mp-1097296
-1.848983
-8.57397
1.77395
other
Al1Sn1Ru2
4
71
860.55
mp-1093727
-2.703962
-8.372296
1.431005
other
Li1Mg2Au1
4
71
989.77
mp-1096728
-1.622411
-8.419175
2.204914
other
Mn1Tc2Mo1
4
71
753.18
mp-1096142
-2.716219
-8.408165
1.738291
other
La2Hg1Ir1
4
71
1,307.85
mp-1095941
-1.777233
-8.463994
2.160661
other
Zr2Tc1Ru1
4
71
815.98
mp-1208052
-8.148612
-6.420017
6.585869
other
Tm12Co4Sn2
18
71
424.37
mp-1096440
-3.652477
-8.170398
1.356234
other
Tl2Cd1Bi1
4
71
1,330.73
mp-1096529
-2.633935
-8.270757
1.838162
other
La1Mg2Sc1
4
71
1,574.2
mp-567621
-7.977097
-4.394811
4.418497
other
Er3Cu4Ge4
11
71
187.2
mp-1207243
-7.976225
-4.234034
6.120252
other
Sm2Ga1Co2
5
71
98
mp-1189580
-7.675053
-4.328294
3.976766
other
Ce4Ge8Pt4
16
71
324.49
mp-1097243
-3.710573
-8.154204
1.352843
other
K1Ba1Hg2
4
71
1,875.44
mp-1197758
-6.897008
-0.328377
4.248906
other
Tm3Fe18Ge18
39
71
552.29
mp-1095948
-4.11306
-6.941441
1.593028
other
Cs2K1Na1
4
71
2,967.15
mp-28637
1.682472
2.205524
1.30613
other
Li4Fe1N2
7
71
92.94
mp-1096171
-2.227556
-8.414785
1.598794
other
Al1Zn1Co2
4
71
616.75
mp-1069297
-8.041581
-4.838696
5.807034
other
Tb2Al1Ni2
5
71
93
mp-1097540
-3.541054
-8.632367
1.039736
other
Tl1Hg2Bi1
4
71
1,312.45
mp-1097164
-1.779372
-8.318272
1.973479
other
Ti2Cr1Rh1
4
71
705.7
mp-1096531
-2.243194
-8.449052
1.54276
other
Zn1Ga1Ni2
4
71
516.27
mp-1217839
-8.739527
-4.279854
4.678586
other
Tb1Al6Cu6
13
71
185.37
mp-1095783
-1.952964
-8.386993
2.186286
other
Zr2Re1Pd1
4
71
850.93
mp-1093540
-2.958846
-8.321328
1.357322
other
Li2Ga1Bi1
4
71
1,105.15
mp-1095832
-1.927542
-8.198085
1.888152
other
Ti1Be1Ni2
4
71
604.12
mp-1104240
-8.093452
-4.804744
4.932491
other
Y3Ga9Pt2
14
71
261.07
mp-1097487
-1.563646
-8.177242
2.286916
other
Mn1Nb2Mo1
4
71
1,203.61
mp-1096624
-2.324708
-8.479363
1.466613
other
Li1Sn2Ir1
4
71
906.25
mp-1096491
-2.491298
-8.434887
1.642967
other
Y1Pd2Au1
4
71
1,002.17
mp-1095847
-2.334774
-8.177865
1.806496
other
Be1Co2P1
4
71
431.09
mp-1222734
11.342172
8.545975
2.293559
other
La1U2O6
9
71
123.45
mp-1093799
-3.666145
-8.167923
2.245875
other
Na1Ca2Al1
4
71
1,717.45
mp-1105906
-8.222671
-6.288141
6.382266
other
Lu12Ga2Ni4
18
71
402.27
mp-1206785
-8.096333
-5.250447
5.936318
other
Nd2Ga1Ni2
5
71
98
mp-1097151
-3.22714
-8.467565
1.25577
other
Li2Hg1Bi1
4
71
1,039.89
mp-1096692
-3.272757
-8.037847
1.722799
other
Sr2Zn1Ga1
4
71
1,458.27
mp-1093603
-3.505061
-7.704073
1.750886
other
Ba2Zn1In1
4
71
1,749.89
mp-1093879
-2.71488
-8.554693
1.524663
other
Sc1Zn1Au2
4
71
973.58
mp-1097072
-2.133848
-8.259035
1.838951
other
Hf1Mg1Co2
4
71
708.42
mp-1093908
-2.439591
-8.47203
1.898755
other
Zr2Cd1Hg1
4
71
1,203.34
mp-1095904
-3.656847
-7.79221
1.638179
other
Ba2Hg1Au1
4
71
1,763.44
mp-1097091
-2.059293
-8.367094
1.69614
other
Hf1Zn1Rh2
4
71
818.7
mp-1096542
-2.800951
-8.245194
1.571198
other
Ca2Pd1Pt1
4
71
1,050.68
mp-1096220
-3.144661
-7.973882
1.691837
other
Na1Ca2Rh1
4
71
1,377.41
mp-1095939
-1.353852
-8.370189
2.396605
other
Nb1Tc1Mo2
4
71
795.18
mp-1218647
10.161057
10.230465
3.462511
other
Sr8Nb4O18
30
71
470.3
mp-1096567
-1.995074
-8.294193
1.647748
other
Li1P1Rh2
4
71
685.69
mp-1095824
-1.84323
-8.264758
2.027665
other
Hf2Mn1Ni1
4
71
717.05
mp-1096287
-1.623649
-8.397859
2.22433
other
Tc2Ge1Mo1
4
71
744.43
mp-1097318
-2.289691
-8.497829
1.692274
other
Zr1Zn2Pt1
4
71
1,028.28
mp-1093922
-4.11671
-7.075809
1.730326
other
Cs1K1Na2
4
71
2,542.64
mp-9277
1.552588
1.853253
2.01399
other
Ce2Cr1N3
6
71
82.52
mp-1096097
-3.23429
-8.092355
1.835076
other
Sr2Li1Ir1
4
71
1,277.71
mp-1188573
-8.05987
-6.357469
6.375377
other
Tm12Ni4Sn2
18
71
438.22
mp-1097154
-2.864714
-8.526778
1.646697
other
Y2Hg1Au1
4
71
1,270.23
mp-1097085
-3.808949
-8.131489
2.094598
other
Na2Sr1Ca1
4
71
2,197.8
mp-1096261
-2.07681
-8.517728
1.464145
other
Mg1Ga1Pt2
4
71
842.7
mp-1216742
-4.831205
-3.720429
0.964254
other
U3P2Se1
6
71
145.07
mp-1215946
11.397486
8.49751
2.233229
other
Y1U2O6
9
71
116.38
mp-1104487
-8.263063
-3.995086
4.972337
other
Dy3Ga8Rh3
14
71
257.4
mp-1079198
-4.355256
1.479064
3.149092
other
Sm1Cr2B6
9
71
83.5
mp-1096082
-2.993047
-8.494302
1.442529
other
Li2Hg1Pb1
4
71
1,052.6
mp-1093771
-3.29044
-8.154622
1.679321
other
Sr2Zn1Ag1
4
71
1,624
mp-1096760
-1.87725
-8.406442
1.845654
other
Ti1Al1Ir2
4
71
733.32
mp-757285
8.103707
12.305411
-0.891984
other
Cu2Ni11O13
26
71
242.3
mp-580192
-7.819133
-4.056474
3.72605
other
Ho4Ge8Pt4
16
71
305.89
mp-646586
-8.029929
-6.725043
6.958161
other
Sm12In2Co4
18
71
476.91
mp-1093710
-2.578549
-8.483003
1.611703
other
Y1Pt1Au2
4
71
1,130.64
mp-1220650
-5.134028
0.494346
3.309118
other
Nb4B20Mo11
35
71
348.4
mp-1096286
-1.678322
-8.149092
2.269159
other
Ta2Al1Re1
4
71
1,550.55
mp-1096508
-3.71489
-7.869929
1.428385
other
K2Hg1Au1
4
71
1,474.74
mp-1095983
-1.773085
-8.185577
2.227503
other
Ta1Al1Re2
4
71
885.31
mp-1097272
-3.41914
-8.030049
1.72796
other
Sr2Li1Mg1
4
71
1,879.96
mp-1224172
-7.382373
0.456708
4.39932
other
Ho1Fe10Re2
13
71
170.89
mp-1096138
-2.784986
-8.209768
2.02555
other
La1Y1Al2
4
71
1,181.21
mp-1025379
-3.283473
1.437458
2.912921
original
Tb2B4C1
7
71
82.29
mp-1096249
-2.719553
-8.349277
1.449914
other
In1Ga2Sn1
4
71
952.39
mp-1096545
-2.833543
-8.264884
1.406223
other
Li1Mg2Cd1
4
71
1,195.89
mp-1103481
-7.524225
-1.018379
5.65565
other
Er3Fe4Ge4
11
71
189.33
mp-1093788
-2.581487
-8.379421
1.409774
other
Mg2Ag1Pd1
4
71
960.25
mp-1097180
-3.093637
-8.44443
1.761434
other
La2Cd1Hg1
4
71
1,282.07
mp-1096546
-2.10089
-8.380155
1.838215
other
Sc1Ga2Os1
4
71
893.19
mp-1097165
-1.949121
-8.407082
1.941922
other
Ti1Fe1Co2
4
71
511.82
mp-570147
-7.267063
-1.759537
3.169665
other
Sc12Si22Ni36
70
71
879.25
mp-1096618
-1.669006
-8.166245
2.245051
other
Ta2V1Ir1
4
71
742.94
mp-1097506
-2.86463
-8.398474
1.510729
other
Li1Cd1In2
4
71
1,148.31
mp-1097246
-3.320462
-8.105669
1.703671
other
Sr2Zn1In1
4
71
1,608.95
mp-1096526
-0.943863
2.768407
-3.440572
other
Cs1Rb1I2
4
71
1,834.57