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-1187181
-5.383652
-7.401752
3.864585
other
Sr1Eu3
4
225
191.38
mp-24285
2.638677
-0.099038
-1.717637
other
Np1H2
3
225
35.66
mp-864634
-7.564331
-7.061327
3.375887
original
Eu1Cd3
4
225
98.13
mp-1006887
-4.454448
-5.488664
2.596631
other
Cd1C1
2
225
28.63
mp-2291
-6.04869
-2.39141
4.056179
other
Si2Ni1
3
225
39.07
mp-1193270
-7.308615
-1.123551
4.936942
other
Yb6Mn23
29
225
464.32
mp-1883
-5.806973
-3.546808
-2.095345
other
Sn1Te1
2
225
64.67
mp-30615
-9.21653
-6.285714
4.593213
other
Er6Zn23
29
225
485.74
mp-1094232
-6.744333
-9.578314
3.376377
other
Mg1Sn1
2
225
53.83
mp-2748
-5.23109
-4.173645
0.608773
other
Ce1As1
2
225
56.36
mp-1094184
-7.794063
-9.640306
6.819189
other
Hf1Mg3
4
225
87.31
mp-2640
-5.698181
-3.930437
0.60791
other
Tb1As1
2
225
49.77
mp-24727
2.885973
-0.433512
-1.779321
other
Tm1H2
3
225
32.36
mp-550893
10.832509
9.937493
3.961125
other
Hf1O2
3
225
31.86
mp-1094443
-7.306779
-6.830744
6.851621
other
Y3Mg1
4
225
120.34
mp-2853
2.321247
2.1048
1.683982
other
Ga1N1
2
225
19.47
mp-1211945
-3.877087
-6.334603
2.367893
other
K2C1
3
225
93.09
mp-669649
-7.824814
0.761837
5.347237
other
Yb6Fe23
29
225
425.48
mp-643
10.130859
8.702945
3.184889
other
Th1O2
3
225
43.93
mp-571386
0.746999
1.66003
-5.213778
other
Cu1Cl1
2
225
33.39
mp-979289
-6.031214
-1.020113
3.710602
other
Ta1W3
4
225
65.47
mp-807
-5.480044
-3.942864
-0.283556
other
Np1Te1
2
225
61.87
mp-19006
11.308927
12.552422
0.077958
other
Mn2O2
4
225
44
mp-19830
2.130425
1.676123
2.091719
original
Er1N1
2
225
27.95
mp-1185286
-5.693515
-7.159074
3.788727
other
Li3Yb1
4
225
106.59
mp-569228
0.280424
2.048967
2.320134
other
W1N1
2
225
20.81
mp-7396
-6.461078
-7.177235
3.103277
other
Li3Tl1
4
225
72.39
mp-1059357
-4.762891
-3.069404
-3.847218
other
Na1Se1
2
225
53.64
mp-1206821
12.577253
9.702747
0.801788
other
Cr2O1
3
225
46.96
mp-1206346
-8.02055
-2.830331
2.459813
other
Mg1Pt7
8
225
122
mp-974828
-3.871017
-7.125618
1.969861
other
Rb3Pr1
4
225
274.86
mp-1798
-7.845895
-9.146398
6.350255
other
Ce1Mg3
4
225
100.28
mp-1008918
1.860098
2.757098
0.46342
other
Cd1N1
2
225
27.01
mp-1266
-4.748898
-3.181707
-3.971449
other
Na2Se1
3
225
77.21
mp-24724
2.880121
-0.423496
-1.78542
other
Tb1H2
3
225
35.57
mp-1186129
-5.0097
-7.403821
3.669673
other
Na1Ca3
4
225
163.19
mp-1193674
-9.231256
-6.381681
4.670274
other
Dy6Zn23
29
225
493.34
mp-12777
-9.291203
-4.400255
3.93804
other
Al1Cu3
4
225
48.18
mp-2647
-8.228307
-5.067529
3.861868
other
Al2Au1
3
225
54.13
mp-11718
8.16036
0.60089
1.367474
other
Rb1F1
2
225
44.67
mp-1184748
-8.347057
-2.17547
3.796476
other
Ir3F1
4
225
55.3
mp-1186857
-4.203235
-7.043932
2.031133
other
Rb3Re1
4
225
200.76
mp-1080251
-4.201327
-3.989501
-3.350244
other
Ce2Se4
6
225
162.84
mp-2343
-6.732486
-10.301558
4.03264
other
Mg2Sn1
3
225
77.24
mp-999027
-5.70147
-2.868557
4.103514
other
Ti3Al1
4
225
67.51
mp-24237
2.824375
-0.404409
-1.772261
other
Sc1H2
3
225
27.1
mp-16730
0.358326
2.007117
2.453543
other
Mo1N1
2
225
20.68
mp-1916
-5.502327
-5.456594
0.740208
other
Yb1Sb1
2
225
64.96
mp-981251
-5.623456
-3.770132
3.773053
other
Tm1Ta3
4
225
80.33
mp-1342
9.192347
8.484131
1.897859
other
Ba1O1
2
225
43.45
mp-974565
-3.803887
-3.499435
1.166951
other
Re1P3
4
225
54.35
mp-1183156
-8.095361
-6.129861
2.126648
other
Ag3Rh1
4
225
68.52
mp-976783
12.255314
9.162211
1.236155
other
Ge3F1
4
225
65.27
mp-1094734
-6.686149
-10.453869
5.914977
other
Ca1Mg3
4
225
103.09
mp-1188063
-5.946791
-7.244931
4.680144
other
Yb3Ce1
4
225
157.5
mp-20211
-6.751631
-0.661134
3.705111
original
Mn3Si1
4
225
44.94
mp-999395
-5.607325
-2.376394
3.640769
other
Nb3Fe1
4
225
64.9
mp-1185184
-5.902753
-6.556326
4.051398
other
Li3Nb1
4
225
64.03
mp-1079163
-7.821814
-10.112219
6.45871
other
Mg7Nb1
8
225
169.37
mp-1206874
2.834069
-0.309058
-1.538425
other
Co1H1
2
225
12.52
mp-2143
-3.779738
-3.600778
-2.197229
other
U1Se1
2
225
51.69
mp-2596
1.461157
1.514463
2.323757
other
Np1N1
2
225
30.38
mp-1186360
-3.094806
-3.523417
0.665288
other
P3H1
4
225
47.24
mp-1184877
-4.067605
-7.291659
2.378616
other
K3Ca1
4
225
255.16
mp-503
-3.011419
-3.80334
-3.099241
other
Th1S1
2
225
46.85
mp-976256
-5.808415
-7.085637
3.431317
other
Li3Mg1
4
225
80.63
mp-973100
-9.487005
-4.645925
4.287422
other
Sc1Cu3
4
225
55.83
mp-1009730
-5.865519
-7.005432
3.271536
other
Ca2Sn1
3
225
108.07
mp-1062620
-5.613288
-6.97178
3.589966
other
Sr2Ir1
3
225
94.27
mp-1001824
-5.500089
-0.401016
2.851602
other
Ir1C1
2
225
21.39
mp-1183492
-6.492144
-5.502385
0.508196
other
Bi3Au1
4
225
114.01
mp-1185667
-5.408682
-7.081071
3.075638
other
Na3Ge1
4
225
102.37
mp-600023
15.677208
5.625272
0.394814
other
Si10O20
30
225
626.09
mp-570632
-6.274069
-5.314091
1.65324
other
Sc1Bi1
2
225
54.66
mp-1060680
-4.164329
-6.405359
1.690009
other
Rb1Ge1
2
225
92.77
mp-971701
-4.772065
-4.591299
0.072668
other
Zn1As3
4
225
74.84
mp-10020
-2.650856
0.311323
2.733241
other
Sc1C1
2
225
25.72
mp-1925
-3.362851
-3.386685
-3.464633
other
Zr1S1
2
225
36.11
mp-978509
-4.728971
-3.637811
6.293212
other
Si3Ru1
4
225
54.8
mp-12305
-8.164623
-4.710611
5.249253
other
Sc22Os8
30
225
595.32
mp-1008901
3.520513
-0.714103
-2.473127
other
Mg1H2
3
225
27
mp-1186808
-7.719232
-9.90012
5.528948
other
Pu1Mg3
4
225
93.28
mp-12304
-8.268599
-4.49099
5.026739
other
Sc22Ir8
30
225
597.57
mp-1185073
-3.910331
-7.171499
2.322319
other
K3Tb1
4
225
229.95
mp-1039230
-5.113566
-7.366655
3.894898
other
Ca3Mg1
4
225
143.97
mp-1094188
-5.514032
-5.942286
0.434249
other
Mg1Sb1
2
225
52.71
mp-2082
-6.300634
-2.019618
1.592694
other
P1Ir2
3
225
42.91
mp-1187380
-5.581394
-3.913273
3.911317
other
Tb1Ta3
4
225
81.54
mp-1708
-5.799729
-4.066749
-1.21868
other
Y1Te1
2
225
58.46
mp-1183462
-8.551169
-6.263515
2.393736
other
Ca1Au3
4
225
80.84
mp-1018165
-6.698647
-3.417396
2.647651
other
Pt1C1
2
225
22.47
mp-1183328
-6.21383
-11.10428
5.993398
other
Ba1Mg3
4
225
120.05
mp-975037
-3.969877
-6.96594
1.780182
other
Rb3Ba1
4
225
335.38
mp-1164
-2.254042
0.481266
2.387768
other
Th1C1
2
225
38.57
mp-977182
-5.527716
-3.273195
3.61621
other
Na1Nb3
4
225
75.83
mp-1185265
-6.518099
-6.855635
2.958127
other
Li3Sn1
4
225
70.05
mp-10054
-5.460215
-2.735041
2.379033
other
Zr1As1
2
225
40.68
mp-1153
-3.941994
-1.386132
-5.587167
other
Li2S1
3
225
45.58
mp-975787
-6.162992
-1.478578
3.960419
other
Pr1W3
4
225
75.3
mp-1187957
-5.828501
-7.32517
4.21253
other
Yb3Cr1
4
225
122.29