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-1157
-7.356878
-1.834588
3.065652
other
Ta1Ni2
3
139
38.75
mp-30886
-9.4762
-5.919667
4.019803
other
Y1Zn12
13
139
196.38
mp-977403
-5.566852
-7.418903
2.946029
other
Na3Tl1
4
139
117.35
mp-971804
-8.695596
-1.460272
2.641617
other
Zn1Ni3
4
139
44.17
mp-1183713
2.827484
-0.506972
-1.732089
other
Ce1H3
4
139
39.85
mp-1018113
-9.110842
-6.265279
2.808354
other
Y1Au2
3
139
62.58
mp-1183201
-8.138874
-5.767459
1.833476
other
Au3Cl1
4
139
76.15
mp-1183343
-4.695798
-7.23884
3.675865
other
Ba3Tb1
4
139
207.1
mp-1183387
-5.26078
-7.453909
3.834241
other
Ba1Eu3
4
139
196.08
mp-1187295
-7.020014
-6.707343
7.108434
other
Tb3Nd1
4
139
131.52
mp-999204
-7.04846
-3.780528
6.178142
other
Sc1Al3
4
139
71.68
mp-1184014
-6.19419
-6.839491
2.360029
other
Ga1Pb3
4
139
113.87
mp-976075
-5.575186
-7.099214
3.603328
other
Li3Ca1
4
139
106.42
mp-1186717
-6.953631
-6.85966
7.37309
other
Pr3Hf1
4
139
126.96
mp-1185332
-6.354732
-6.049967
3.848578
other
Li1Ga3
4
139
64.45
mp-978546
-5.896509
-5.017112
2.23964
other
Sc3Sb1
4
139
91.94
mp-1186642
-6.975802
-6.034502
5.753707
other
Pm1Sc3
4
139
108.57
mp-1094159
-5.807768
-7.095814
3.431052
other
Li3Mg1
4
139
79.69
mp-1216180
-4.457981
-3.877621
-3.752926
other
Yb29Se32
61
139
1,645.01
mp-313
-2.23531
0.455137
2.452371
other
Y1C2
3
139
41.74
mp-1094433
-7.501303
-10.87861
5.257849
other
Mg3Zn1
4
139
79.02
mp-980385
-7.080761
-6.606245
6.89962
other
Tb3Er1
4
139
126.59
mp-1188041
-5.73508
-3.866057
3.943042
other
Zr3Mn1
4
139
84.1
mp-1103916
-9.489447
-5.928059
4.00434
other
Tm1Zn12
13
139
194.72
mp-7188
-7.050507
-1.684507
5.519094
other
Al2Os1
3
139
41.33
mp-976135
-7.152303
-6.668042
6.936029
other
Pr1Er3
4
139
127.84
mp-1065309
-6.463302
-3.269226
5.450982
other
Zr1Al3
4
139
69.72
mp-1183407
-5.029589
-1.709267
4.527318
other
Be3Si1
4
139
39.83
mp-1094496
-7.30434
-6.819591
6.845732
other
Y3Mg1
4
139
120.28
mp-1062989
9.771831
8.901383
2.454846
other
Ce1O2
3
139
37.36
mp-1185093
-4.055944
-6.929377
1.96408
other
K3Os1
4
139
142.34
mp-2731
-6.794257
-3.47139
4.971881
other
Ti1Ga3
4
139
61.79
mp-16475
-5.243058
-6.049997
0.82167
other
Sr22Sb20
42
139
1,459.86
mp-1217168
-5.792921
-3.074611
3.748435
other
Ti4Pd1
5
139
84.07
mp-1225226
-7.238237
0.351734
3.876273
other
Fe4Mo1
5
139
62.64
mp-1222266
-2.707373
-2.847775
-5.425196
other
Lu3S4
7
139
151.94
mp-975509
-4.482999
-7.237098
3.122823
other
Rb1Ba3
4
139
278.82
mp-864758
-5.459285
-7.272112
2.99227
other
Na3In1
4
139
116.16
mp-1063239
-8.595885
-5.122217
3.416253
other
Dy1Pd2
3
139
65.76
mp-1184710
-7.564269
-6.163797
6.151187
other
Ho3As1
4
139
102.83
mp-974371
-8.157356
-2.221459
3.282109
other
Rh3Br1
4
139
61.65
mp-1094064
3.762696
-0.875904
-2.517068
other
Sb1H3
4
139
35.63
mp-1187936
-7.665819
-6.20231
3.410547
other
Zn3Si1
4
139
61.04
mp-22482
-7.365575
-0.936623
4.472311
other
Er1Mn12
13
139
174.21
mp-16521
-7.017177
-1.603381
5.153443
other
Al3Os2
5
139
68.32
mp-27298
-5.647506
-6.118757
0.948857
other
Ca22Bi20
42
139
1,350.61
mp-1416
9.018248
2.065405
1.247143
original
Nb1F4
5
139
75.38
mp-1185792
-6.827219
-10.286953
4.554763
other
Mg3Tl1
4
139
90.83
mp-981232
-5.546608
-2.994892
3.782142
other
Ti3Nb1
4
139
70.26
mp-976419
-5.622882
-3.775518
3.361424
other
Hf3Bi1
4
139
92.08
mp-1185275
-6.408506
-6.990319
2.538534
other
Li1Pb3
4
139
111.76
mp-1189560
-3.909198
-4.698872
6.220108
other
Y4Si12
16
139
283.92
mp-1007855
-8.559529
-0.456581
2.907377
other
Fe1Ni3
4
139
44.21
mp-341
8.200212
1.584873
-0.572603
other
Pb1F4
5
139
72.5
mp-1183234
-4.545659
-3.599086
-3.638857
other
Ac1Se3
4
139
102.76
mp-1216464
-0.170698
2.018173
2.469445
other
V4N3
7
139
67.08
mp-1187032
-5.961963
-6.276266
2.240499
other
Sn3B1
4
139
93.67
mp-1185152
-6.687871
-6.607187
6.702804
other
La3Tb1
4
139
144.12
mp-982378
-5.077584
-7.337919
3.087526
other
Na3Cr1
4
139
118.68
mp-981391
-7.251936
-7.176342
1.96828
other
Hg3Ir1
4
139
79.3
mp-1185969
-5.207179
-4.93635
4.296801
other
Mg1Np3
4
139
82.31
mp-1187475
-5.431969
-2.916826
3.999187
other
Ti3Be1
4
139
59.5
mp-1183226
-6.832582
-6.978412
7.073923
other
Ac1Y3
4
139
144.34
mp-1186545
-6.634963
-7.096497
6.997936
other
Pm3Th1
4
139
135.84
mp-975868
-5.859037
-6.870753
3.733848
other
Li3Al1
4
139
66.54
mp-980070
-7.205718
-6.78461
6.603536
other
Yb1Er3
4
139
127.82
mp-1185337
-7.395517
-7.659
1.765827
other
Li1Hg3
4
139
88.14
mp-1186516
-6.825508
-7.239381
7.202098
other
Pm3Ho1
4
139
134.44
mp-1186777
-6.853938
-6.77517
6.758092
other
Sr1Tb3
4
139
141.59
mp-1187787
12.470634
9.450433
0.71466
other
V3F1
4
139
69.02
mp-30703
-6.370572
-3.415462
4.39636
other
Hf22Ga20
42
139
774.09
mp-1022728
7.546273
10.706253
-0.692429
other
Cu3O2
5
139
60.14
mp-984712
-5.722109
-0.803471
2.752158
other
Cr3Se1
4
139
49.71
mp-1186497
-6.908431
-7.342312
7.091347
other
Pm3Cr1
4
139
116.63
mp-1187748
-7.112935
-1.345806
4.944017
other
U1Mn3
4
139
54.32
mp-1183643
-8.523587
-5.872248
2.072331
other
Cd1Au3
4
139
72.45
mp-864742
-5.723247
-7.072382
2.789826
other
Na3Sn1
4
139
109.98
mp-1018148
-9.003454
-6.039035
2.889244
other
Sc1Au2
3
139
55.13
mp-1183245
-5.497714
-5.417559
2.888334
other
Ag1Ge3
4
139
78.86
mp-542293
-5.25809
-6.33985
1.175495
other
Ba22Bi20
42
139
1,789.27
mp-1183646
-7.288126
-6.741365
2.354156
other
Cd3Ga1
4
139
84.1
mp-2119
-2.127821
0.423725
2.393027
other
Tb1C2
3
139
42.19
mp-1995
-2.028531
0.430087
2.316139
other
Pr1C2
3
139
49.03
mp-974364
-8.579839
-5.443579
2.353857
other
Ru1Au3
4
139
68.38
mp-639892
-7.302062
-0.712243
4.455843
other
Gd1Mn12
13
139
159.93
mp-1184923
-3.898803
-7.100407
2.52536
other
K3Hf1
4
139
205.72
mp-972471
-7.104905
-6.934864
7.405456
other
Sm3Ho1
4
139
132.43
mp-1094255
-5.692908
-3.819912
3.570668
other
Zr3Sn1
4
139
90.39
mp-1187545
-6.263495
-7.215383
1.924539
other
Tl3Ag1
4
139
111.56
mp-1187030
-6.50165
-6.128117
1.98245
other
Sn3Ge1
4
139
103.41
mp-1186217
-5.07265
-3.923011
0.908212
other
Nb1As3
4
139
72.33
mp-1183875
-7.063291
-6.978033
7.389611
other
Ce1Pr3
4
139
150.58
mp-1210627
-7.285302
-0.943774
3.885318
other
Mn3Ga1
4
139
48.94
mp-1011375
-4.092051
-3.945628
-3.156213
other
Ce1Se2
3
139
69.49
mp-1103808
2.961773
-0.392768
-1.869791
other
La4H9
13
139
179.03
mp-972202
-5.746149
-3.245496
0.704608
other
Tc1As3
4
139
66.38
mp-1206675
-2.569269
0.265352
2.533195
other
Pu1C2
3
139
41.1
mp-973339
-7.192402
-6.61759
6.866342
other
Lu3Th1
4
139
121.14
mp-978548
-7.130833
-6.656947
6.895681
other
Sm1Er3
4
139
125.21
mp-1185139
-3.838617
-7.121757
2.389324
other
K3V1
4
139
195