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-1078755
-7.86195
-3.182136
2.374747
other
Sb2Pt6
8
139
134.47
mp-1185123
-3.902428
-7.17368
2.34293
other
K3Tb1
4
139
225.27
mp-977314
-7.180481
-6.845229
6.759671
other
Na1Lu3
4
139
121.02
mp-1183850
-6.322765
-5.233219
1.198673
other
Ce1Bi3
4
139
123.35
mp-1184695
-7.21148
-6.738696
7.019658
other
Ho3Er1
4
139
123.67
mp-1039409
-6.641531
-10.499331
5.931868
other
Ca1Mg3
4
139
104.68
mp-1188054
-6.208379
-3.596843
3.932611
other
Zr3Rh1
4
139
81.59
mp-974332
-3.311732
-0.549447
-4.461609
other
S3Br1
4
139
105.42
mp-1185951
-6.29839
-2.117491
1.845953
other
Mn3Br1
4
139
71.45
mp-269
-2.189463
0.425359
2.469265
other
Tm1C2
3
139
39.65
mp-980192
-7.531449
-1.999438
4.428924
other
Yb1Os3
4
139
63.34
mp-982018
-7.276959
-6.412997
5.723381
other
Ho3Sb1
4
139
110.93
mp-22687
-6.453326
-6.82376
3.128369
other
Ba1In4
5
139
152.64
mp-1187675
-7.191365
-6.952752
6.95198
other
Yb1Ho3
4
139
128.45
mp-1186518
-7.034933
-6.764942
6.834396
other
Pm3I1
4
139
129.71
mp-1186443
-6.772744
-6.650614
2.33846
other
Pd1Pb3
4
139
105.72
mp-560
-9.22347
-6.215075
2.780032
other
Tm1Au2
3
139
60.18
mp-1185097
-3.982987
-6.999372
1.923535
other
K3Zn1
4
139
211.35
mp-973554
-3.912125
-7.164276
2.344862
other
K3Sm1
4
139
230
mp-1062988
-7.56131
-0.333667
5.635716
other
Th1Fe2
3
139
57.81
mp-973071
-7.221529
-7.565917
1.76834
other
Hg3As1
4
139
93.43
mp-1220318
2.436725
-0.357966
-1.511544
other
Nb1H1
2
139
20.5
mp-1187311
-7.026085
-6.703755
7.110056
other
Tb3Sm1
4
139
129.97
mp-977366
-5.820598
-4.484826
0.68274
other
Np1Sb3
4
139
107.44
mp-1186176
-6.630914
-6.445865
2.147614
other
Na1Sn3
4
139
105.05
mp-1184797
-8.095149
-2.312632
3.876515
other
Ir3Pb1
4
139
66.55
mp-1062984
-8.034032
-1.29177
4.987984
other
Th1Co2
3
139
53.09
mp-972088
-5.749252
-3.785905
3.817917
other
Zr3Zn1
4
139
82.28
mp-1185455
-8.648726
-2.231983
3.562327
other
Li1Rh3
4
139
54.78
mp-1186156
-5.253048
-4.899966
4.182909
other
Np3Hg1
4
139
97.11
mp-1183649
-5.656523
-5.487116
2.96803
other
Cd1Ge3
4
139
83.3
mp-971928
-7.889617
-5.610245
3.25525
other
Zn3Ge1
4
139
62.08
mp-1187289
-5.039469
-7.568332
3.604618
other
Sr3Eu1
4
139
220.61
mp-1186820
-5.978361
-4.364112
1.320887
other
Pu1Sb3
4
139
101.4
mp-1187550
-5.868485
-7.115572
2.242418
other
Tl3Si1
4
139
109.73
mp-1186718
-7.315792
-6.888911
7.145756
other
Pr3Mg1
4
139
130.16
mp-978531
-7.528575
-5.737339
4.944784
other
Sc3Pb1
4
139
94.81
mp-1183084
-6.166032
-7.996982
5.771888
other
Ac3Tm1
4
139
163.69
mp-30685
-6.992561
-3.878919
4.697855
other
Zr1Ga3
4
139
68.72
mp-1187468
-6.905064
-6.813969
6.985189
other
Tb3Eu1
4
139
132.92
mp-981383
-7.226304
-5.692269
3.206959
other
Sc1Sn3
4
139
99.6
mp-32994
0.70607
1.189731
2.790638
other
Hf4N3
7
139
91.9
mp-1186843
-5.925191
-4.449319
3.43705
other
Pu3Ru1
4
139
82.66
mp-1184296
-7.234524
-5.406031
3.272225
other
Ga3Au1
4
139
73.71
mp-1184918
-4.150513
-7.129414
2.139185
other
K3Li1
4
139
232.19
mp-11252
-8.682658
-5.323118
2.276242
other
Mn1Au2
3
139
50.26
mp-570286
-4.612612
-3.134981
-3.620841
other
Bi2Se2
4
139
227.81
mp-1094312
-6.737004
-5.40872
3.111153
other
Zr1Sn3
4
139
97.53
mp-867347
-6.543725
-1.933579
6.105074
other
Al3Tc1
4
139
57.72
mp-1183665
-6.848746
-6.201774
1.811442
other
Cd3Se1
4
139
101.42
mp-1063224
-8.188437
-8.166459
3.369356
other
Ho1Hg2
3
139
74.43
mp-1186072
-5.341579
-7.13002
2.974458
other
Na3Rh1
4
139
90.14
mp-1186528
-7.191196
-7.105068
6.852808
other
Pm3Pd1
4
139
110.55
mp-1189414
-4.180043
-4.860469
5.851219
other
Yb4Si12
16
139
289.02
mp-1186371
-5.803758
-6.699481
2.308806
other
P1Pb3
4
139
112.86
mp-1104193
-5.311728
-1.301927
4.702974
other
Be12Co1
13
139
104.56
mp-973883
-6.454528
-4.157659
3.246796
other
Ge3Rh1
4
139
67.36
mp-1062893
-8.585585
-5.092878
3.383836
other
Y1Pd2
3
139
66.21
mp-1188016
-5.636015
-3.764723
3.967265
other
Zr3Be1
4
139
78.87
mp-12605
-5.63312
-2.025562
4.712382
other
Re1Si2
3
139
40.17
mp-1094472
-5.586978
-3.971496
3.967781
other
Mg1Zr3
4
139
90.06
mp-1183050
-5.33929
-7.441397
4.066249
other
Ba1Yb3
4
139
189.79
mp-1062078
-8.619345
-5.122584
3.335864
other
Er1Pd2
3
139
62.94
mp-972658
-6.366764
-5.447721
1.191525
other
Sm1Bi3
4
139
122.42
mp-1063016
-8.635953
-5.169434
3.399466
other
Sm1Pd2
3
139
68.08
mp-1184035
-4.666242
-7.51068
3.1287
other
Cs1Sr3
4
139
252.31
mp-1187648
-7.731374
-6.189316
6.347067
other
Tm3Ge1
4
139
100.39
mp-978960
-7.181552
-6.904125
7.391886
other
Sm3Tm1
4
139
131.31
mp-1187100
-4.910808
-7.449163
3.53638
other
Sr2Mg1
3
139
130.07
mp-1187268
-7.179243
-6.926111
7.145054
other
Sm1Gd3
4
139
132.98
mp-975909
-8.406052
-5.970246
2.109994
other
Li1Au3
4
139
65.74
mp-1184900
-3.872665
-7.179779
2.440158
other
K3Dy1
4
139
225.46
mp-1187541
-5.710958
-2.931022
3.842613
other
Ti3In1
4
139
73.01
mp-1186150
-7.199104
-6.895568
6.86375
other
Na1Ho3
4
139
125.06
mp-570578
-7.554128
-5.566269
4.524527
other
Zr1In3
4
139
89.69
mp-975794
-5.478084
-6.849236
3.72773
other
Li3Be1
4
139
58.42
mp-2592
-5.603032
-1.712738
4.331631
other
Si2Mo1
3
139
40.13
mp-1186716
-7.622262
-6.860651
6.996536
other
Pr3Hg1
4
139
124.07
mp-979952
-5.642061
-7.302645
4.498554
other
Yb3Ti1
4
139
128.98
mp-1187683
-5.507832
-3.915641
3.38192
other
U3Hg1
4
139
87.66
mp-1183438
-4.675266
-7.277706
3.638551
other
Ba3Ce1
4
139
226.99
mp-1186437
-8.099657
-3.990661
2.225817
other
Pd3W1
4
139
59.35
mp-567872
-4.892858
-6.402988
1.504393
other
Ba4Bi2
6
139
277.06
mp-976055
-6.552996
-6.943882
3.333732
other
Li3In1
4
139
73.22
mp-541840
-2.20381
0.46041
2.41141
other
Dy1C2
3
139
41.4
mp-1199133
-7.407699
-6.209937
4.660554
other
Y22Sn20
42
139
1,158.42
mp-985581
-7.601018
0.934722
4.90804
other
Sm1Fe12
13
139
176.13
mp-1172831
-2.491258
-8.564019
1.634173
other
Ti1Au2
3
139
337.09
mp-985551
-6.720177
-6.722039
6.903511
other
Ce1Y3
4
139
125.71
mp-1228665
-8.451021
-4.37176
2.04369
other
B1Pd5
6
139
86.39
mp-1187325
-7.315993
-6.447232
6.258992
other
Tb3Pb1
4
139
117.81
mp-978499
-4.657264
-4.637755
0.137986
other
Si1As3
4
139
76.66
mp-974416
-5.666686
-0.485041
3.583778
other
Re3W1
4
139
61.69
mp-2297
-2.165597
0.484978
2.440917
other
Nd1C2
3
139
47.63
mp-981336
-7.93696
-5.881668
3.191568
other
Zn3C1
4
139
51.19
mp-1186904
-5.076603
-7.44955
3.466788
other
Rb1Eu3
4
139
215.19
mp-1183097
-6.315869
-7.773368
5.205317
other
Ac3Mo1
4
139
137.58
mp-978790
-7.622722
-6.803839
6.891124
other
Sm3Ag1
4
139
115.01
mp-1187156
-4.831934
-7.323225
3.898831
other
Sr3Th1
4
139
183.99
mp-1183815
-8.469485
-7.038321
3.181667
other
Dy1Ag3
4
139
79.97