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-1004
-5.489728
-2.717352
3.574974
other
Nb3Si1
4
221
68.11
mp-1183967
-7.837145
-6.672343
2.086828
other
Ga1Ag3
4
221
67.98
mp-2677
-8.357952
-4.483108
2.558167
other
Sc1Pd3
4
221
63.03
mp-12778
-6.734721
-0.915267
3.894301
other
V1Os1
2
221
27.45
mp-1184777
-8.07144
-2.328232
3.88868
other
Ir3Pb1
4
221
66.53
mp-1912
-8.662393
-6.422907
2.535542
other
Zn1Ag1
2
221
31.03
mp-2573
-6.702812
-3.876765
5.640193
other
Np1Al3
4
221
76.3
mp-1008931
-6.60151
-5.295696
2.84055
other
Er1Sb1
2
221
53.75
mp-978823
-6.905622
-6.81674
7.168915
other
Sm1Y3
4
221
133.47
mp-973884
-8.798111
-1.312559
2.438441
other
Ni3Hg1
4
221
52.52
mp-1076927
-6.595112
-6.714268
3.224382
other
Gd1Pb3
4
221
115.49
mp-975994
-6.727579
-6.701466
6.571759
other
Na1La3
4
221
145.22
mp-2203
-3.468194
1.737817
2.980613
other
Y1B6
7
221
68.41
mp-1129
-8.428185
-4.07778
4.692683
other
Sc1Ir1
2
221
33.34
mp-981390
-6.30766
-5.965813
0.422194
other
Hg1Bi3
4
221
121.75
mp-1184232
-6.068702
-5.404053
3.471975
other
Ga3As1
4
221
80.06
mp-867199
-7.459836
-7.313265
6.438955
other
Pm3Tl1
4
221
121.43
mp-1064000
-4.09611
-6.662973
1.540445
other
Cs3Pt1
4
221
192.87
mp-11260
-6.069897
-3.26741
4.008356
other
Ti3Au1
4
221
67.69
mp-2560
-5.595178
-3.248237
3.669044
other
Ti3Hg1
4
221
70.96
mp-976588
-6.213835
-6.136918
6.144045
other
Ho1Th3
4
221
128.32
mp-10627
-3.198059
-2.088758
-5.567203
other
Sr1S1
2
221
49.37
mp-30785
-7.401278
-1.795476
3.497713
other
Mn3Pt1
4
221
58.83
mp-1064508
-4.080881
-6.95747
1.903902
other
K3Pd1
4
221
161.43
mp-1033
-6.447147
-1.249925
3.379828
other
Be1Ni1
2
221
17.31
mp-371
-7.006647
-6.550465
5.976203
other
La3Tl1
4
221
131.91
mp-11279
-5.340768
-1.684863
4.28284
other
Ti1Be1
2
221
25.13
mp-1185994
-7.369426
-7.318737
1.968842
other
Mn1Hg3
4
221
86.22
mp-1187788
-5.841721
-5.360652
6.512563
other
Y3Si1
4
221
101.74
mp-11254
-8.968935
-6.38199
3.807919
other
Nd1Au1
2
221
50.44
mp-364
-8.085566
-2.267915
3.791486
original
Al1Rh1
2
221
26.39
mp-1184926
-5.08373
-5.036543
4.399021
other
Ho1Np3
4
221
99.81
mp-1187330
-6.740127
-6.619695
6.97798
other
Tb3Np1
4
221
120.73
mp-1014230
-6.287143
-3.195618
3.673758
other
Ti1Zn1
2
221
30.48
mp-19966
-7.476858
-7.433758
5.545928
other
Gd1Tl1
2
221
55.46
mp-20909
-7.029306
-6.383321
5.92602
other
La3In1
4
221
132.05
mp-2279
-6.890145
-5.218807
2.999163
other
Pu1Sn3
4
221
96.55
mp-976420
-7.084358
-6.910548
7.339771
other
Nd3Ho1
4
221
136.79
mp-568711
-8.438978
-4.015624
2.23097
other
V1Pd3
4
221
58.73
mp-973875
-5.996845
-5.451349
3.580749
other
Ga3Ge1
4
221
75.82
mp-20206
-7.839437
-6.022281
4.925469
other
Th1In3
4
221
105.66
mp-1184874
-3.99318
-7.339969
2.102892
other
K3Cr1
4
221
207.29
mp-1186912
-3.843404
-7.049405
2.087102
other
Rb3Th1
4
221
246.02
mp-1009206
-7.548181
-3.201848
2.522379
other
Mn1Sn1
2
221
40.5
mp-542779
-8.434907
-6.802895
5.103208
other
Gd1Ag1
2
221
48.79
mp-571322
-5.63797
-2.425418
3.429555
other
Nb3Ge1
4
221
69.69
mp-1103521
-5.437997
-7.037481
3.587329
other
Sr8Rh5
13
221
382.46
mp-2465
-8.04803
-3.202609
2.429427
other
Dy1Pt3
4
221
68.63
mp-790
-8.069355
-3.164775
2.354171
other
Lu1Pt3
4
221
66.22
mp-1183627
-7.941821
-6.639239
2.064187
other
Cd1Ag3
4
221
71.96
mp-1006115
-7.260596
-6.727381
6.874973
other
Ho3Pu1
4
221
121.78
mp-2167
-8.551125
-6.838922
4.740913
other
Dy1Ag1
2
221
46.92
mp-984727
-6.721898
-5.70881
5.390477
other
Ce3Br1
4
221
95.76
mp-11572
-6.103059
-1.625276
4.335819
original
Ta1Tc1
2
221
32
mp-10889
-6.912658
-6.359128
6.249576
other
La3Al1
4
221
123.32
mp-1184878
-4.042463
-7.103796
1.910206
other
K3Cu1
4
221
196.45
mp-246
9.063374
2.130116
1.686583
other
Ti2F6
8
221
120.45
mp-1184776
-6.732129
-6.23928
1.984475
other
In1Sn3
4
221
108.67
mp-1007657
-7.49332
-1.584634
4.391757
other
Hf1Ru3
4
221
61.9
mp-1600
-7.392297
-7.552022
1.751281
other
Ba3Hg33
36
221
998.78
mp-980941
-4.626084
-2.596369
3.877722
other
Ti3N1
4
221
50.53
mp-973732
-7.286933
-6.868837
6.80132
other
Li1Ho3
4
221
114.87
mp-953
-7.414913
-4.391235
3.647002
other
Nb1Zn3
4
221
59.78
mp-1608
-8.087532
-8.074532
2.938056
other
Zr1Hg3
4
221
86.22
mp-999440
-5.586191
-2.409213
3.630722
other
Nb3Fe1
4
221
66.1
mp-1979
-8.503324
-4.253186
2.416847
other
Ho1Pd3
4
221
67.87
mp-1187636
-8.00504
-6.643322
6.667627
other
Tm3Hg1
4
221
106.7
mp-11564
-8.968143
-5.382726
6.044389
other
Tm1Rh1
2
221
37.69
mp-2210
-6.757712
-3.842519
4.181811
other
Zr1Cu1
2
221
34.41
mp-8338
8.970344
2.440201
1.678596
other
Ta1F3
4
221
72.34
mp-2179
-6.244043
-1.540563
4.121491
other
Ti1Re1
2
221
30.02
mp-1094090
0.325483
2.699596
1.496549
other
Ni4N1
5
221
51.28
mp-999189
-7.945596
0.30986
3.576259
other
Fe3Ni1
4
221
46.06
mp-672698
-5.55969
-3.392761
-2.013773
other
Ge1Te1
2
221
50.83
mp-1062
-6.914407
-6.671988
5.548223
other
Ce1Mg1
2
221
56.57
mp-973232
-7.255221
-6.903585
7.293175
other
Nd1Tm3
4
221
125.77
mp-388
-6.577146
-6.559591
3.165894
other
Er1Pb3
4
221
113.18
mp-571405
-7.568623
-7.320508
5.525097
other
Nd1Tl1
2
221
58.71
mp-1185786
-6.829324
-10.245948
4.541004
other
Mg3Tl1
4
221
89.5
mp-866006
-6.209327
-5.726217
0.838736
other
Ca1Bi3
4
221
122.92
mp-11312
-6.431796
-1.388727
3.931683
other
V3Cd1
4
221
60.83
mp-1187665
-5.710605
-2.940967
3.847113
other
Ti3In1
4
221
71.8
mp-15660
-3.671188
-0.398271
2.768271
other
Nb4C3
7
221
89.36
mp-1187034
-5.966402
-5.926304
1.954704
other
Sn3P1
4
221
99.96
mp-1183064
-6.669732
-7.766012
5.101608
other
Ac3Au1
4
221
144.24
mp-1187052
-6.001007
-5.964748
5.94366
other
Th3Pa1
4
221
119.97
mp-1184423
-7.02646
-6.754526
6.732046
other
Gd3I1
4
221
129.44
mp-1019319
0.13794
2.096158
1.922291
other
Tc3N3
6
221
64.86
mp-20601
-6.547084
-6.564561
3.271221
other
Nd1Pb3
4
221
118.36
mp-2013
-7.274551
-7.448291
4.640684
other
Ho1Tl3
4
221
104.57
mp-973908
-7.326918
0.313029
5.118186
other
Pa1Fe3
4
221
57.65
mp-1186985
-8.86572
-1.436027
2.864306
other
Sc1Ni3
4
221
49.63
mp-1185237
-6.207722
-1.075753
3.845666
other
Li1W3
4
221
60.89
mp-1183992
-5.10205
-5.252749
4.425558
other
Cs1Np3
4
221
101.97
mp-1885
-7.90754
-2.219726
4.147395
other
Al1Ir1
2
221
26.85
mp-20487
-7.037535
-6.320517
6.097326
other
La3Ga1
4
221
119.87
mp-621131
-5.566928
-3.021203
3.805362
other
Ti3Ag1
4
221
68.86
mp-10879
-6.740573
-5.153971
5.627621
other
Ce1Al1
2
221
49.57
mp-1183973
-5.774057
-5.524051
3.897143
other
Ga3Si1
4
221
70.58
mp-567089
-8.651817
-4.065782
4.267743
other
Yb1Rh1
2
221
36.62