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-636240
-7.948291
-5.681677
2.948914
other
Mg1Cu1Sn1
3
216
65.54
mp-1226627
-7.644447
-9.213638
6.384216
other
Ce1Mg2Ni1
4
216
81.32
mp-1063388
-5.904724
-1.131631
1.47101
other
Mn1Ni1P1
3
216
37.46
mp-999076
-5.934693
-3.025767
3.887787
other
Ti2In1Ni1
4
216
65.75
mp-1222614
-6.827273
-6.47515
2.739253
other
Li2Pd1Pb1
4
216
67.77
mp-1021660
-6.777233
-2.903896
3.897495
other
Nb1In1Ru1
3
216
61.39
mp-604453
-6.519265
-4.888804
0.873682
other
Ce1Bi1Pd1
3
216
80.97
mp-961726
-7.432802
-3.481526
3.612977
other
Nb1Ge1Rh1
3
216
56.67
mp-961727
-7.118453
-3.097477
3.560857
other
Ta1Ge1Rh1
3
216
56.66
mp-1207185
-6.6723
-5.034232
0.859766
other
Lu1Bi1Pd1
3
216
71.82
mp-13240
-9.374085
-4.63726
4.049757
original
Sc1In1Cu4
6
216
86.19
mp-1208945
-8.103899
-6.7958
7.131682
other
Sm16Mg4Ru4
24
216
675.18
mp-1009006
-4.952637
-5.335034
0.349417
other
Li1Cd1As1
3
216
57.6
mp-631338
-5.694533
-6.27973
4.402331
other
Li1Zr1Sc1
3
216
78.89
mp-1072398
-9.265874
-4.615717
3.33856
other
Mn1Cu4Sn1
6
216
85.51
mp-1227824
-4.517182
-7.218506
3.81806
other
Ba1Sr2Np1
4
216
196.32
mp-4142
-6.812515
-3.506811
0.74901
other
Mn1Sb1Pd1
3
216
58.26
mp-631421
-5.895843
-3.292125
-2.024705
other
Cr1Ga1Te1
3
216
75.74
mp-637771
-8.583529
-1.697583
2.998017
other
Zr1In1Ni4
6
216
80.75
mp-631479
-5.467532
-6.79652
4.609585
other
Ca1Hf1Be1
3
216
69.94
mp-961699
-3.160947
-4.517806
0.747948
other
Na1Mg1P1
3
216
63.33
mp-20453
-6.814727
-3.579992
3.184084
other
Ti1Co1Sn1
3
216
57.42
mp-31456
-6.433779
-3.377251
1.343529
other
Hf1Sb1Ru1
3
216
63.06
mp-631423
-0.051122
0.50386
-2.655317
other
Ta1Pb1Br1
3
216
78.17
mp-1206393
-9.039296
-1.740236
2.933544
other
Ce1In1Ni4
6
216
87.1
mp-631324
-6.941932
-5.996222
4.647079
other
Hf1Mn1Tl1
3
216
67.58
mp-570078
-7.72083
-6.218837
6.337183
other
La16Mg4Ir4
24
216
748.87
mp-631568
-4.558504
-6.872835
3.317213
other
Al1Ag1B1
3
216
46.11
mp-1009014
9.167397
11.306323
-0.204949
other
Li1Cu1O1
3
216
30
mp-35612
11.784439
8.930566
2.72414
other
Pu1O1F1
3
216
44.32
mp-1222671
-6.852648
-7.150112
3.183386
other
Li2Cd1In1
4
216
75.69
mp-31442
-7.817873
-5.515121
3.604162
other
Li2In1Rh1
4
216
61.41
mp-1219547
11.548806
10.695102
-0.04669
other
Re4Pb4O13
21
216
292.48
mp-5549
-8.216978
-5.896849
2.30049
other
Mg1Sn1Au1
3
216
66.73
mp-1222788
-7.139328
-4.662823
6.393818
other
La1Lu1Al4
6
216
126.67
mp-1025021
-9.420216
-4.674658
4.01043
other
Yb1Mg1Cu4
6
216
91.91
mp-631559
-6.018224
-0.890856
3.484658
other
Tl1Co1Mo2
4
216
64.62
mp-568552
-8.695178
-1.877908
2.692209
other
Lu1Ni4Sn1
6
216
85.42
mp-7811
10.352569
4.121961
-7.197587
other
Sr1S1O4
6
216
94.22
mp-37990
13.902771
5.441407
-6.553779
other
Al5P5O20
30
216
647.28
mp-1208463
-8.356107
-6.431845
6.572987
other
Tb16Cd4Ir4
24
216
630.46
mp-10981
-5.924262
-5.256748
0.946385
other
Yb1Sb1Pd1
3
216
80.44
mp-1206270
-8.97841
-1.621932
2.960489
other
Lu1In1Ni4
6
216
82.74
mp-19886
-7.899586
-4.50017
3.192282
other
Th1Sn1Pt1
3
216
78.57
mp-1225265
-7.092975
-4.432899
6.409937
other
Dy1Er1Al4
6
216
118.7
mp-30454
-6.634256
-4.682212
0.871783
other
Er1Bi1Pt1
3
216
73.71
mp-1221252
-6.357286
-7.408585
2.64754
other
Na2Tl1Hg1
4
216
99.12
mp-31443
-8.051661
-5.260465
3.757828
other
Li2In1Ir1
4
216
61.53
mp-631356
-6.327378
-3.648822
3.724965
other
Nb1Os1Pb1
3
216
65.89
mp-1100439
-2.539468
-1.835981
-3.967582
other
Y1Se1Br1
3
216
85.86
mp-631366
-6.576276
-4.117469
1.924313
other
Tc1Sn1Se1
3
216
69.59
mp-2219028
7.067298
11.030088
-1.104149
other
Mg1Cu4O8
13
216
145.23
mp-1072033
-9.563821
-4.862734
3.991675
other
Dy1Cu4Ag1
6
216
88.54
mp-1216641
-7.734431
-3.794114
3.275644
other
Ti1Sn1Rh1
3
216
58.14
mp-1213042
-8.039804
-6.698054
6.865898
other
Gd16Mg4Ru4
24
216
664.97
mp-37381
8.578951
2.080958
2.470354
other
Sm1O1F1
3
216
43.17
mp-1222612
-7.94498
-5.025316
3.328681
other
Li2Sn1Ir1
4
216
60.66
mp-631436
-6.808657
-1.418489
3.486649
other
V1Os1Cl1
3
216
50.03
mp-1207173
-6.238629
-4.173529
0.982903
other
Li1V1Sb1
3
216
65.87
mp-1226635
-6.856801
-4.497586
5.851601
other
Ce1Eu1Al4
6
216
129.09
mp-11480
-8.058134
-3.226509
3.180569
other
Mn1Sn1Ir1
3
216
57.84
mp-16314
-6.590184
-3.838654
0.884559
other
Tm1Sb1Pt1
3
216
69.15
mp-30390
-8.704229
-6.193887
3.021668
other
Ho1Sn1Au1
3
216
73.9
mp-1226466
-8.679283
-2.770198
3.991933
other
Ce1Y1Rh4
6
216
109.44
mp-1100434
-3.816886
-5.964129
4.97442
other
Ba1Sr1Si1
3
216
108.27
mp-1207998
-7.659366
-6.551647
6.716912
other
Y16Mg4Co4
24
216
631.54
mp-20389
-6.011252
-7.185949
2.663185
other
Na2Cd1Pb1
4
216
99.66
mp-1077379
-9.187504
-1.51913
2.750972
other
Nd1Cd1Ni4
6
216
88.16
mp-1100397
-0.119504
1.304846
-3.573357
other
Ba1Au1Cl1
3
216
101.41
mp-1225116
-6.770148
-4.785942
6.042325
other
Eu1Y1Al4
6
216
126.42
mp-1206717
-6.555189
-5.027227
0.853607
other
La1Bi1Pd1
3
216
83.04
mp-12603
-7.901747
-4.559413
3.365123
other
Sc1Sn1Pt1
3
216
68.47
mp-999096
-5.767824
-2.23959
4.429385
other
Ti2Al1Cr1
4
216
62.54
mp-10367
-6.462258
-3.599181
1.801027
other
Hf1Sb1Rh1
3
216
68.31
mp-1222648
-6.379238
-7.21242
3.297938
other
Li2Mg1Cd1
4
216
75.95
mp-2218829
-5.406282
-0.784018
-4.381694
other
Mg1Ni4S8
13
216
231.37
mp-1211420
-7.803656
-6.211542
6.284842
other
La16Cd4Ir4
24
216
730.35
mp-1225985
-7.68441
-4.479862
3.083335
other
Er5Sn18Rh6
29
216
681.44
mp-1226498
-7.061935
-4.387856
6.051137
other
Ce1Pr1Al4
6
216
128.26
mp-631428
-6.971435
-1.885458
3.773176
other
Tl1Co1W1
3
216
59.71
mp-30406
-6.736824
-7.278748
2.627176
other
Li2Tl1Au1
4
216
74.33
mp-31451
-6.24976
-4.637594
1.13671
other
Zr1Co1Bi1
3
216
59.24
mp-961691
-6.671951
-3.709458
3.436385
other
Hf1Ni1Ge1
3
216
57.33
mp-924128
-7.331722
-3.805897
3.205019
other
Hf1Ni1Sn1
3
216
55.87
mp-1227276
-5.281645
-1.199167
4.586343
other
Be4Al1Cr1
6
216
58.76
mp-1191201
-7.178714
-5.548104
5.540286
other
Ce16Cd4Ru4
24
216
650.31
mp-1226406
-7.546967
-4.550769
3.121382
other
Dy5Sn18Os6
29
216
687.28
mp-1207915
-8.140953
-6.519753
6.617917
other
Tm16Cd4Ni4
24
216
578.43
mp-999053
-6.166475
-2.81131
4.000973
other
Ti2Ga1Ni1
4
216
58.39
mp-1224677
-6.579197
-3.700871
4.25419
other
Hf16Ni4Rh4
24
216
450.34
mp-1212308
-7.914123
-6.557773
6.612809
other
Ho16Mg4Ni4
24
216
613.39
mp-1077362
-8.968572
-1.231781
2.970999
other
Y1Mn1Ni4
6
216
83.74
mp-1221624
-6.344386
-1.102477
3.984706
other
Mn1Al1V2
4
216
52.62
mp-1008874
-6.459617
-2.042712
-0.596795
other
Mn1Co1Te1
3
216
50.41
mp-1100403
-4.64004
-6.315464
0.953421
other
K1Ba1Sb1
3
216
124.85
mp-1100407
-6.149809
-1.88491
2.877055
other
Ta1As1Ru1
3
216
56.23
mp-1208478
-7.995926
-6.439809
6.590696
other
Tb16Mg4Rh4
24
216
645.65
mp-4964
-6.450912
-3.948245
0.786186
other
Y1Sb1Pt1
3
216
71.35
mp-1226720
-8.013854
-6.065541
2.298342
other
Cd1Sn1Au1
3
216
70.59
mp-961690
-7.529622
-2.370466
3.965643
other
V1Ga1Ni1
3
216
46.05