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-1110929
-0.551822
1.257242
-4.385728
other
K3As1Br6
10
225
385.63
mp-1187418
-5.724981
-1.974961
4.173065
other
Ti2Al1W1
4
225
63.73
mp-861894
-6.725037
-6.595043
4.050856
other
Li2La1Sn1
4
225
86.49
mp-867795
-5.93789
-1.567896
4.175748
other
Sc1Nb1Tc2
4
225
65.61
mp-1187701
-8.373412
-7.221836
4.978378
other
Y2Ag1Hg1
4
225
98.56
mp-862752
-6.799326
-4.818722
0.716144
other
Sm1Bi1Pd2
4
225
86.65
mp-1185367
-7.479924
-7.661939
2.014128
other
Li1In1Hg2
4
225
87.07
mp-1194178
-7.968052
-4.254484
4.341798
other
Ti6Al16Pd7
29
225
455.26
mp-865003
-6.517846
-1.585254
4.026388
other
Be2Ir1Pd1
4
225
43.72
mp-865984
-6.844638
-7.688056
2.273037
other
Ba1Tl1Hg2
4
225
122.58
mp-30731
-8.455061
-4.872476
2.713677
other
Ho1Sn1Pd2
4
225
76.15
mp-1228340
1.627091
1.966209
1.268799
other
Ba2N1F1
4
225
82.54
mp-982667
-7.309222
-2.105625
5.906672
other
Li1Al2Os1
4
225
55.3
mp-862881
-7.545436
-7.003734
4.735927
other
Ca1Pm1Cd2
4
225
110.74
mp-863673
-8.096364
-6.577759
6.556978
other
Li1Pm2Rh1
4
225
91.2
mp-1186785
-7.879677
-6.905356
4.934218
other
Pr1Eu1Zn2
4
225
102.25
mp-865877
-6.360207
-1.884274
4.106293
other
Ti2Re1Pt1
4
225
61.71
mp-979712
-8.504256
-6.853818
5.38262
other
Dy1Y1Zn2
4
225
90.08
mp-865280
-6.820298
-0.019419
3.990726
other
Nb1Al1Fe2
4
225
51.07
mp-1187603
-7.088435
-2.740851
1.703999
other
Tm1Sb1Rh2
4
225
72.52
mp-866069
-8.433125
-3.274171
3.946781
other
Mg1Sc1Rh2
4
225
62.66
mp-23406
1.628895
2.761425
-5.569968
other
Cs2Pt1Cl6
9
225
276.27
mp-1185244
-7.680306
-6.457579
6.254589
other
Li1Y2Ga1
4
225
93.73
mp-866173
-8.834581
-5.713019
6.491782
other
Y2Ru1Rh1
4
225
78.77
mp-1193083
-6.324495
-0.154857
3.51279
other
Mn20W3C6
29
225
291.95
mp-1187489
-5.844711
-1.270713
4.009406
other
Ti1Tc2Ge1
4
225
57.21
mp-862898
-8.679148
-5.309333
3.267112
other
Pm1Cd1Pd2
4
225
80.32
mp-1183606
-6.181261
-7.000051
4.176673
other
Ca1Eu1Ga2
4
225
100.77
mp-1206039
8.393028
1.033686
0.992036
other
Rb2Sn1F6
9
225
164.97
mp-861652
-8.234316
-3.967024
3.244595
other
Li1Lu1Pt2
4
225
67.38
mp-866290
-8.508602
-2.97123
3.555888
other
Dy1Sn1Rh2
4
225
71.91
mp-1186223
-7.250948
-1.550467
4.369506
other
Nb1Fe1Ru2
4
225
57.79
mp-1110959
-1.189473
2.415058
-2.313154
other
K3Ce1I6
10
225
541.99
mp-862814
-6.013448
-1.602666
4.283311
other
Pa1Si1Tc2
4
225
66.7
mp-1187459
-8.950084
-4.373777
4.028903
other
Ti1Ga1Cu2
4
225
53.03
mp-1187091
-5.743699
-7.297522
3.414754
other
Sr2Tl1Zn1
4
225
126.3
mp-1005693
-8.020977
-6.897883
5.551234
other
Sm2In1Hg1
4
225
110.05
mp-1186832
-7.960415
-6.523444
5.658425
other
Pr1Nd1In2
4
225
117.08
mp-865298
-8.712946
-5.033693
3.303496
other
Tm1Zn1Pd2
4
225
68.59
mp-866019
-7.221022
-7.340131
4.934464
other
Li1Nd1Tl2
4
225
102.43
mp-1187894
-8.152763
-5.72829
3.470557
other
Yb2Cu1Pd1
4
225
83.1
mp-865945
-8.527619
-2.497935
3.477759
other
Lu1In1Ni2
4
225
64.88
mp-1183312
-5.41766
-7.225009
3.193376
other
Ba1Na2Pb1
4
225
132.84
mp-1185481
-7.749046
-6.461523
5.18387
other
Li1Sm1In2
4
225
99.7
mp-1187171
-7.415716
-5.470677
3.390343
other
Sr1Eu1Pt2
4
225
96.97
mp-866281
-9.040122
-5.738786
6.358831
other
Er2Pd1Ru1
4
225
78.21
mp-1185603
-7.735874
-8.379319
6.718467
other
La1Sm1Mg2
4
225
119.59
mp-865866
-8.076016
-3.857869
3.2479
other
Li1Zr1Pt2
4
225
65.25
mp-1187170
-6.458367
-6.999941
4.045266
other
Sr1Ac1Ga2
4
225
119.49
mp-865187
-8.087013
-2.29932
3.393111
other
Mg1Fe1Rh2
4
225
55.52
mp-864717
-8.590177
-5.169818
3.607297
other
Pa1Cu2Sn1
4
225
73.08
mp-1187645
-8.491234
-5.593872
4.406046
other
Yb1Ce1Cu2
4
225
83.26
mp-866067
-7.989389
-6.786864
5.733882
other
Nd2Cd1In1
4
225
115.46
mp-865529
-7.372502
-2.148959
3.768919
other
Ti2Ni1Ir1
4
225
56.81
mp-865118
-8.739402
-6.396072
2.901719
other
Na1Pr1Au2
4
225
93.16
mp-1188020
-6.640128
-2.630987
4.18134
other
Zr2Tc1Ni1
4
225
68.03
mp-1209943
0.419683
2.231055
2.187354
other
Pr6Cr20N22
48
225
532.58
mp-974463
-8.135696
-6.737259
3.066756
other
La1Ag2Sn1
4
225
96.03
mp-554971
9.059986
1.762755
1.445225
other
Zr1Fe1F6
8
225
138.54
mp-27632
1.619393
2.733208
-5.229735
other
K2Tc1Cl6
9
225
237.14
mp-865209
-7.075404
-2.334819
4.619673
other
Tm1Hf1Os2
4
225
70.79
mp-982869
-7.339047
-6.040803
6.599834
other
Pm1Y1Al2
4
225
96.87
mp-1184290
-7.12291
-6.928869
3.679127
other
Eu1Mg1Cd2
4
225
100.53
mp-862964
-7.86696
-8.591119
6.8157
other
Pm1Sm1Mg2
4
225
114.52
mp-861903
-7.346564
-3.567137
1.441689
other
Li1Bi1Rh2
4
225
62.35
mp-978975
-7.55062
-7.374608
5.519646
other
Tb1Y1Tl2
4
225
108.41
mp-1181796
-5.573336
-1.035309
-3.642229
other
Co8Ru1S8
17
225
239.67
mp-984702
-8.254569
-6.459519
5.006339
other
Ce1Dy1Zn2
4
225
94.4
mp-1185447
-8.063099
-5.246537
3.031991
other
Li1Yb1Pd2
4
225
69.69
mp-1192960
-6.88246
-0.13805
4.485501
other
Zr6Fe16Si7
29
225
374.48
mp-861869
-8.573955
-4.959496
5.330925
other
Ca1Lu1Rh2
4
225
77.44
mp-867969
-8.103864
-8.198146
3.427101
other
Li1Gd1Hg2
4
225
90.2
mp-1185138
-8.049792
-6.846178
5.246363
other
La1Pr1Zn2
4
225
103.31
mp-1187079
-6.29709
-7.265484
3.088755
other
Sr2Cd1Hg1
4
225
128.99
mp-1188015
-7.316391
-2.156369
3.493586
other
Zr1Sb1Ru2
4
225
67.41
mp-1185143
-7.915993
-6.955007
4.928812
other
La2Cd1Hg1
4
225
119.47
mp-1193646
-7.506983
-0.332285
5.260637
other
Y6Mn14Fe9
29
225
431.54
mp-21587
-6.465318
-1.88133
1.005026
other
Mg6Ni16As7
29
225
373.28
mp-1183039
-6.106157
-1.839175
4.208893
other
Zr1Ta1Tc2
4
225
66.82
mp-1184522
-8.829556
-6.107626
5.194286
other
Gd1Lu1Cu2
4
225
80.2
mp-631418
-5.323228
-0.921629
3.672138
other
Cu1Re2Cl1
4
225
55.34
mp-862364
-8.289613
-4.39746
4.805184
other
Sc2Os1Pt1
4
225
67.83
mp-977550
-7.218419
-2.335283
4.659374
other
Zr1Sc1Os2
4
225
68
mp-1184621
-8.960577
-6.277184
6.785067
original
Ho2Ag1Os1
4
225
84.86
mp-862612
-6.065734
-1.59531
4.449592
other
Sc1Pa1Tc2
4
225
73.67
mp-1111889
1.276701
2.054994
-5.44284
other
Na3Pr1Cl6
10
225
322.27
mp-865170
-8.02687
-1.797084
3.416358
other
Ga1Fe1Rh2
4
225
53.73
mp-1114149
-1.201331
3.01087
-3.009235
other
Rb2Tl2I6
10
225
497.85
mp-975515
-8.011302
-8.837849
6.991572
other
Nd1Lu1Mg2
4
225
110.26
mp-1187340
-8.054521
-6.551362
5.780709
other
Tb1Lu1In2
4
225
102.48
mp-864654
-8.501004
-2.686612
2.944348
other
Zn2Ni1Rh1
4
225
50.13
mp-862928
-7.178973
-7.353554
4.91626
other
Li1Pm1Tl2
4
225
100.64
mp-864631
-8.247073
-2.925252
3.825209
other
Li1Nb1Rh2
4
225
57.31
mp-861628
-7.822806
-7.111144
5.508167
other
Er2Tl1Cd1
4
225
101.75
mp-867144
-7.465369
-7.829656
2.510794
other
Ca1Mg1Hg2
4
225
93.47
mp-1186739
-9.014392
-6.429234
2.724074
other
Pr1Ag1Au2
4
225
87.99
mp-864893
-8.243049
-8.086497
3.188751
other
Nd1Ag1Hg2
4
225
92.84
mp-866059
-8.648653
-3.325753
4.190823
other
Gd1Mg1Rh2
4
225
70.73
mp-983602
-8.178581
-6.421734
1.988516
other
Cd1Ag2Au1
4
225
72.11
mp-4771
-8.847071
-4.400441
4.177425
other
Ti1Al1Cu2
4
225
53.43