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-1215212
-3.580489
1.239428
2.94173
other
Zr1Sc1B4
6
216
63.27
mp-631403
-7.085709
-1.569469
4.346976
other
Cd1P1Os2
4
216
62.86
mp-631312
-3.282473
-4.223107
0.839539
other
In1P2Pb1
4
216
89.48
mp-1217190
12.274576
9.211752
2.550743
other
Ti16Fe8O4
28
216
391.26
mp-1222654
-3.910143
-5.274009
5.702309
other
Li2Ga1Si1
4
216
62.57
mp-30455
-6.581077
-4.711526
0.850771
other
Ho1Bi1Pt1
3
216
74.32
mp-1210768
-8.326897
-6.42942
6.305158
other
Lu16Cd4Pd4
24
216
590.25
mp-1226495
-7.801538
-9.245328
6.650414
other
Ce1Y1Mg4
6
216
155.02
mp-631466
-5.691997
-6.777092
4.946647
other
K1Sc2Co1
4
216
91.2
mp-631504
-5.918238
-2.605848
4.808487
other
Ba1Si1Tc2
4
216
78.09
mp-1210750
-6.463076
-7.067513
3.174525
other
Li2Zn1Pb1
4
216
75.02
mp-3161
-3.963961
-5.148308
5.760788
other
Li1Al1Si1
3
216
51.55
mp-632176
-6.7784
-5.100463
3.568304
other
Ta1Tc1Pb2
4
216
84.58
mp-1206744
-6.679675
-5.042621
0.858501
other
Tm1Bi1Pd1
3
216
72.75
mp-1206955
-6.645349
-5.109717
1.22442
other
Er1Bi1Pd1
3
216
80.72
mp-1100402
-6.142073
-6.215498
4.674972
other
Y1Hg1B1
3
216
57.83
mp-1062162
-7.726226
-1.406699
2.85754
other
Mn1Ni1Ge1
3
216
43.36
mp-1215175
-6.046154
-1.328488
3.866518
original
Zr1Ti1W4
6
216
108.99
mp-1222799
-6.748642
-3.916394
5.681485
other
La1U1Al4
6
216
126.18
mp-1062795
-4.60739
-0.715496
-5.112342
other
Co1S1I1
3
216
62.15
mp-1100404
-6.188564
-2.345284
1.551098
other
V1As1Ru1
3
216
48.04
mp-1223821
-8.376757
-0.811582
4.782957
other
Ho1Zr1Co4
6
216
86.41
mp-1008872
-6.080667
-2.011466
-0.886438
other
Mn1Fe1Te1
3
216
49.96
mp-1070837
-8.625494
-0.460823
4.808398
other
Tb1Mg1Co4
6
216
86.08
mp-631492
-5.568914
-6.571239
3.710149
other
Ba1Sc1Ir1
3
216
79.79
mp-1221874
-6.648749
-4.489959
1.006336
other
Mn10Bi8Rh4
22
216
465.71
mp-21029
-7.494466
-6.067123
3.134771
other
Li2In1Pd1
4
216
63.93
mp-631375
-6.566829
-5.538895
2.410674
other
Re1Sn2Se1
4
216
80.99
mp-1208464
-7.744517
-6.582133
6.768992
other
Tb16Mg4Co4
24
216
619.55
mp-1024977
-9.086424
-1.593743
2.743679
other
Yb1Ni4Au1
6
216
81.85
mp-1227297
-5.179938
-0.918273
4.511108
other
Be4Fe1Ge1
6
216
53.34
mp-10687
-3.407925
-4.305304
0.708809
other
Li1Cd1P1
3
216
52.88
mp-999576
-7.153324
-1.225295
3.842127
other
Mn2Si1Ru1
4
216
48.9
mp-1212312
-8.315401
-6.475947
6.365521
other
Ho16Cd4Pd4
24
216
624.45
mp-999067
-6.160727
-2.080992
3.78686
other
Ti2Co1Ge1
4
216
56.99
mp-4262
-2.494846
0.701874
3.050882
other
Be1Al1B1
3
216
30.27
mp-1210747
-6.487945
-7.086014
2.933332
other
Li2In1Pb1
4
216
93.9
mp-961676
-7.495124
-3.85438
3.060579
other
Hf1Ge1Pt1
3
216
62.2
mp-1077279
-9.319234
-1.526606
2.775683
other
Dy1Ni4Au1
6
216
82.08
mp-1228803
-7.650309
-2.085926
3.503771
other
Al1Ni1Ge1
3
216
44.94
mp-1206814
-5.918499
-3.46589
1.768832
other
Hf1Ni1Sb1
3
216
62.22
mp-999072
-5.719203
-2.818125
4.195844
other
Ti2Al1Zn1
4
216
65.87
mp-962064
-6.588889
-6.74637
4.054121
other
Na1Y1Sn1
3
216
96.54
mp-631512
-6.571407
-6.154181
4.288649
other
Ba1Ca1Ru2
4
216
88.17
mp-1217499
-7.506789
-1.128245
5.599279
other
Tb1Pr1Mn4
6
216
101.31
mp-23051
-1.486539
1.418429
-2.716664
other
Nb4Se4I4
12
216
328.28
mp-961774
-4.775923
-6.249692
0.891503
other
Ba1Na1Sb1
3
216
107.7
mp-1219699
-7.646935
-0.085232
5.807732
other
Pr1Y1Fe4
6
216
101.63
mp-5640
-8.661399
-6.215234
2.990253
other
Er1Sn1Au1
3
216
73.23
mp-571376
-8.205212
-6.69129
6.838994
other
Dy16Cd4Co4
24
216
594.35
mp-3663
-4.735715
-1.143999
-2.950839
other
Ta4Ga1Se8
13
216
285.24
mp-1222386
5.2322
-0.352844
-2.853675
other
Li1B1H4
6
216
46.56
mp-961688
-8.074475
-3.698026
3.457857
other
V1Ga1Pt1
3
216
51.1
mp-1222762
-7.026457
-4.657537
6.380697
other
La1Pr1Al4
6
216
132.83
mp-1025022
-8.192753
-3.288074
2.508326
other
Ho1In1Pt4
6
216
111.75
mp-11533
-8.765265
-1.663624
2.93024
other
Zr1Zn1Ni4
6
216
75.51
mp-631507
-6.820509
-1.760368
4.049274
other
Be1Bi1Os2
4
216
64.75
mp-1215253
-7.655107
-0.640199
4.242815
other
Zr1Co4Si1
6
216
75.37
mp-22027
-8.090204
-5.255028
2.429445
other
Mn1Sn1Au1
3
216
65.02
mp-1227281
-4.813487
-1.651799
4.586939
other
Be4Cu1Si1
6
216
57.26
mp-1100438
-6.615639
-6.154106
3.497489
other
Li1Sc1Sn1
3
216
76.93
mp-631390
-5.564106
-6.648391
4.196459
other
Sr1Zr1Zn1
3
216
84.7
mp-631505
-0.286915
1.501411
-4.179981
other
Be1Cu1Br1
3
216
54.4
mp-30405
-7.663088
-6.464854
2.514691
other
Li2Sn1Au1
4
216
67.83
mp-2935
-7.630394
-6.508021
2.67175
other
Li2Ge1Au1
4
216
58.67
mp-2218993
12.401765
11.477221
1.640674
other
Mg1Ti4O8
13
216
209.46
mp-924130
-7.326932
-3.488711
3.009309
other
Ti1Ni1Sn1
3
216
51.52
mp-3433
-9.069191
-1.507293
2.794485
other
Y1Mg1Ni4
6
216
83.65
mp-4846
-6.79381
-3.13041
0.825829
other
Mn1Sb1Rh1
3
216
56.99
mp-1219005
-8.695518
-0.570883
4.99404
other
Sm1Y1Co4
6
216
93.69
mp-13305
-8.658444
-6.196346
2.946404
other
Sm1Sn1Au1
3
216
78.18
mp-3432
-6.148623
-3.648339
0.963085
other
Sc1Ni1Sb1
3
216
56.27
mp-1213866
-6.980274
-5.901722
5.40163
other
Ce16Cd4Pd4
24
216
677.32
mp-631452
-6.000015
-1.585226
3.950133
other
Nb1Cr1W1
3
216
56.32
mp-1206694
-8.198178
-2.211552
3.988327
other
Mn1Ga1Ir1
3
216
49.4
mp-16329
-6.543545
-3.848504
0.8601
other
Er1Sb1Pt1
3
216
69.67
mp-1206797
-8.994401
-1.614507
2.774839
other
Gd1In1Ni4
6
216
86.12
mp-1018106
-6.696815
-4.788978
0.911282
other
Yb1Bi1Pt1
3
216
77.61
mp-631543
-4.950056
-6.334097
3.874861
other
Al1In1B1
3
216
54.72
mp-961711
-5.810799
-4.114411
4.536486
other
Zr1Si1Pt1
3
216
57.94
mp-581712
-6.055068
-3.327962
1.457566
other
Ti1Ni1Sb1
3
216
58.85
mp-961694
-6.779261
-2.760406
3.251523
other
Ti1Ni1Ge1
3
216
49.77
mp-631309
-7.007327
-7.20817
2.502824
other
Li1Hg2Os1
4
216
70.33
mp-1210019
-7.667585
-6.742126
7.021272
other
Nd16Mg4Co4
24
216
677.18
mp-1224895
-7.581899
-0.04215
3.509544
other
Ga1Fe2Co1
4
216
46.58
mp-631540
-5.273541
-4.660723
0.509337
other
Ni1B1Te1
3
216
46.6
mp-12007
-9.592775
-4.816989
4.037263
other
Ho1Cd1Cu4
6
216
90.48
mp-1100422
-6.088894
-2.310667
-0.103604
other
V1Te1Ru1
3
216
56.1
mp-631376
-3.990114
-6.149687
5.566212
other
Sr1Mn2Si1
4
216
81.02
mp-1206684
-7.519166
-3.713134
3.315457
other
Ti1Sn1Rh1
3
216
60.29
mp-999207
-7.511096
-4.974704
4.449735
other
Sc2Mn1Sn1
4
216
76.73
mp-1100425
-5.66896
-5.940425
0.585916
other
Li1Cd1Sb1
3
216
67.7
mp-1018136
-6.580217
-4.801512
0.852739
other
La1Bi1Pt1
3
216
83.44
mp-582278
-8.459542
-6.440178
6.509927
other
Tm16In4Rh4
24
216
601.24
mp-1009541
1.834205
2.087726
0.465743
other
Cs1Rb1N1
3
216
99.98
mp-631482
-6.895444
-4.082518
0.702823
other
Bi1Mo1Rh1
3
216
63.74
mp-1025134
-9.538188
-4.437418
3.804814
other
Ho1Cu4Pd1
6
216
84.85
mp-631562
-3.779487
-5.567486
5.422149
other
Si1B1Au1
3
216
44.79
mp-631361
-5.420463
-4.399583
4.09563
other
Sr1Zr2Nb1
4
216
98.96
mp-631503
-5.840023
-2.878888
4.152846
other
Zr1Al1W1
3
216
64.45