mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
-12.01
23.9
z
float64
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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-1008653
-4.318989
-5.48412
2.133434
other
Ag1C1
2
225
25.43
mp-1782
-3.343409
-4.045351
-3.157398
other
Sc1Se1
2
225
40.87
mp-573697
1.131171
2.530103
-5.980243
other
Cs1Cl1
2
225
86.23
mp-1185933
-7.397416
-1.578071
3.963924
other
Mn3Cd1
4
225
63.23
mp-978881
-4.908638
-4.779593
0.201377
other
Sn1As3
4
225
84.1
mp-1476
-3.298351
-3.960897
-3.268476
other
Sc1S1
2
225
35.51
mp-1184655
8.369603
1.891826
-0.63721
other
Hg1F3
4
225
46.94
mp-510402
-2.907652
-3.725154
-3.566695
other
Gd1S1
2
225
43.7
mp-975929
-5.589064
-7.102005
3.600946
other
Li3Ca1
4
225
106.9
mp-1186869
-3.773768
-7.279855
2.24424
other
Rb3Ta1
4
225
209.79
mp-1186047
-5.463117
-7.27318
2.998453
other
Na3In1
4
225
117.77
mp-1185499
-8.430055
-7.055276
3.101599
other
Lu1Ag3
4
225
77.34
mp-1104598
-3.588065
1.847989
2.886665
other
Er1B12
13
225
104.09
mp-1206982
-5.734511
-6.025319
0.746708
other
Sb1Pb1
2
225
63.18
mp-862755
-8.105159
-7.178126
4.088686
other
Pr1Cd3
4
225
96.83
mp-179
-8.221128
-6.876489
5.574912
other
Y1Zn1
2
225
52.03
mp-1194037
-7.365656
-1.044934
5.00822
other
Pr6Mn23
29
225
455.84
mp-1186664
-8.236464
-5.738851
2.385903
other
Pu1Au3
4
225
83.48
mp-1186896
-7.864322
-6.664338
2.108917
other
Re1Ag3
4
225
69.07
mp-24152
2.87913
-0.43334
-1.787167
other
Ho1H2
3
225
33.93
mp-2741
8.543477
1.003421
1.805468
other
Ca1F2
3
225
41.96
mp-975397
-4.483031
-7.243106
3.130379
other
Rb1Ba3
4
225
278.17
mp-1186824
-4.677576
-4.639343
4.214422
other
Pu1Np3
4
225
69.04
mp-1078548
-7.745671
-10.214601
6.506053
other
Mg7Ti1
8
225
175.01
mp-1094358
-7.742833
-9.730355
6.666592
other
Mg3Ti1
4
225
82.47
mp-1193393
-7.382368
-0.982172
4.908642
other
Er6Mn23
29
225
426.79
mp-1221492
12.734811
10.122004
0.263899
other
Mo2O1
3
225
43.55
mp-1039447
-5.917944
-7.251685
3.697763
other
Ca1Zn1
2
225
58.93
mp-1094464
-7.430563
-10.97274
5.261511
other
Mg3Zn1
4
225
80.97
mp-2559
-3.649916
-1.089183
-4.41424
other
Se1S1
2
225
39.79
mp-1004756
-3.561056
1.87782
2.901178
other
Nd1B12
13
225
108.63
mp-634751
3.347206
-0.825721
-2.473224
other
Yb1H2
3
225
39.38
mp-864984
-6.309602
-0.900585
3.765291
other
Mn1V3
4
225
49.39
mp-11523
-7.913399
-1.828017
2.385132
other
Ni3Sn1
4
225
50.43
mp-1039032
-7.936528
-6.859506
3.759236
other
Ca1Zn3
4
225
75.61
mp-1280
-5.847166
-3.94643
-1.160334
other
Er1Te1
2
225
56.29
mp-1186178
-7.031761
-6.80083
7.011579
other
Na1Tb3
4
225
127.15
mp-974990
-4.100706
-7.062483
1.450402
other
Rb3Hg1
4
225
254.06
mp-1079116
-7.651183
-10.050522
6.407374
other
Mg7Sc1
8
225
183.18
mp-1184895
-3.846062
-7.230551
2.407614
other
K3Er1
4
225
229.51
mp-1187038
-6.44
-5.904215
1.769581
other
Sn3S1
4
225
98.37
mp-2011
-4.801389
-3.777968
0.953285
other
U1P1
2
225
46.58
mp-1187661
-7.231977
-10.046067
6.143843
other
Yb1Mg3
4
225
102.63
mp-12608
-8.012207
-2.617156
2.757425
other
Cu1Pt7
8
225
119.22
mp-1556
-5.468355
-3.216587
0.094321
other
Pu1Te1
2
225
62.43
mp-23703
3.371442
-0.598224
-2.355709
other
Li1H1
2
225
16.21
mp-978501
-3.770924
-5.033885
5.745832
other
Si3Se1
4
225
65.9
mp-22919
-1.141686
2.696633
-3.058616
other
Ag1I1
2
225
58.69
mp-974310
-6.56791
-6.227128
2.635725
other
In3Ge1
4
225
102.05
mp-1185782
-8.027661
-9.567039
5.826976
other
Mg3Ru1
4
225
69.89
mp-22916
-0.050909
1.231628
-4.332437
other
Na1Br1
2
225
51.95
mp-24095
2.996095
-0.507007
-1.887684
other
Pr1H2
3
225
42.82
mp-972
-5.312528
-2.088801
-3.91308
other
Mn1Se1
2
225
40.89
mp-1213965
-4.069741
-6.199177
2.815639
other
Ca1C1
2
225
37.03
mp-1779
-5.778903
-3.903748
-1.812196
other
Yb1Te1
2
225
64.33
mp-2746
-4.839341
-0.01743
3.048174
other
Mo1C1
2
225
21.05
mp-1187144
-4.936134
-7.212447
4.018911
other
Sr3W1
4
225
140.73
mp-2776
-8.232297
-5.629635
3.049396
other
Ga2Au1
3
225
56.96
mp-2183
-2.9689
-3.876139
-3.062218
other
Th1Se1
2
225
52.37
mp-8177
8.505214
1.546665
0.088009
other
Hg1F2
3
225
42.89
mp-1023128
-4.795946
-1.276861
-5.535036
other
Cu1S1
2
225
29.05
mp-1176
-5.851856
-4.058791
-1.00732
other
Tb1Te1
2
225
58.6
mp-1186065
-5.08219
-7.228642
3.502572
other
Na3Ce1
4
225
153.92
mp-215
-6.3925
-5.22205
2.329234
original
Y1Sb1
2
225
59.92
mp-22154
-8.439797
-6.057556
2.485234
other
In2Au1
3
225
71.09
mp-1185024
-8.407957
-7.020604
3.220103
other
La1Ag3
4
225
91.04
mp-1206506
7.055304
9.312942
-0.616775
other
Eu2O4
6
225
81.66
mp-1187122
-5.026732
-7.451228
4.016432
other
Sr3Mo1
4
225
152.34
mp-1766
-3.23939
-3.795089
-3.045474
other
Tm1S1
2
225
39.51
mp-1009533
-6.062791
-3.647334
2.491953
other
Pd1C1
2
225
21.88
mp-1330
2.119323
2.040729
1.960067
other
Al1N1
2
225
16.84
mp-983446
-3.850473
-7.032728
2.057146
other
Rb3Pm1
4
225
270.77
mp-977325
-5.173358
-4.647023
4.223025
other
Np3Be1
4
225
62.4
mp-428
-7.995315
-9.299322
6.849352
other
Pr1Mg3
4
225
101.93
mp-1787
-8.02031
-9.106728
6.772338
other
Nd1Mg3
4
225
100.86
mp-752735
7.598262
11.087635
-1.05914
other
Pd1O2
3
225
31.74
mp-567362
-5.894541
-3.839209
-1.768492
other
Bi1Te1
2
225
68.87
mp-1184917
-3.915191
-7.281861
2.132997
other
K3Eu1
4
225
264.05
mp-1193087
-6.257213
-3.418794
4.164254
other
Zr22Os8
30
225
612.27
mp-1192517
-7.405081
-1.042105
4.924996
other
Tb6Mn23
29
225
438.37
mp-974789
-4.395524
-6.835807
1.625955
other
Rb3Sn1
4
225
202.2
mp-1079382
-7.57509
-10.191111
6.594219
other
Y1Mg7
8
225
200.28
mp-24161
2.768526
-0.374804
-1.705977
other
Ti1H2
3
225
21.43
mp-1186073
-5.077678
-7.133256
2.928123
other
Na3Ni1
4
225
96.66
mp-1185502
-7.888336
-9.48302
6.783226
other
Lu1Mg3
4
225
94.28
mp-10108
-4.481693
-3.994202
0.600115
other
Np1P1
2
225
45.96
mp-974545
-6.739911
-5.736261
2.332415
other
Re1Sn3
4
225
87.09
mp-8023
12.144606
9.144918
1.31492
other
Al1O1
2
225
22.43
mp-975512
-5.80315
-5.425054
0.661131
other
In1Sb3
4
225
109.27
mp-1186296
-8.141071
-7.15932
4.192632
other
Nd1Cd3
4
225
95.41
mp-1184752
-5.706936
-5.323827
3.142224
other
In1Ge3
4
225
85.81
mp-1002187
-5.545982
-0.024071
3.480175
other
Tc1B1
2
225
21.37
mp-570
-5.706816
-4.157253
-1.09972
other
Nd1Te1
2
225
64.45
mp-1519
-5.772532
-3.728412
-1.9332
other
Ca1Te1
2
225
65.28
mp-1183985
-5.547757
-5.339107
3.164396
other
Ga1Ge3
4
225
77.72
mp-682
8.819963
0.93809
1.200192
other
Na1F1
2
225
23.89
mp-614481
-6.745487
-5.75983
3.007694
other
Gd1Bi1
2
225
65.18
mp-972837
-6.140954
-5.667406
0.691705
other
Si1Bi3
4
225
111.8
mp-1185231
-5.694033
-6.733213
3.969455
other
Li3Ce1
4
225
103.09
mp-1183322
-4.781993
-7.311152
3.864094
other
Ba3Nb1
4
225
176.95