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-759937
10.140801
2.463258
0.26738
other
V8F32
40
33
553.69
mp-1096913
0.694725
3.062636
1.558971
other
Cr4N8
12
33
247.22
mp-32760
-3.492178
-3.927013
0.585421
other
Li4P20
24
33
470.82
mp-2412
-3.507129
-3.93557
0.58861
other
Li4P20
24
33
460.02
mp-1194880
-1.863336
2.211342
-3.10301
other
W20I64
84
33
3,524.81
mp-29446
6.563614
0.309649
-3.517747
other
B48H64
112
33
1,623.11
mp-1180345
6.062831
5.747057
-4.402476
other
N4O16
20
33
247.47
mp-1179069
8.167112
8.730713
-3.0738
other
Te8O24
32
33
484.99
mp-1188721
3.771648
3.225533
-3.510562
other
I4N16
20
33
511.41
mp-28460
6.660061
5.491903
-3.179643
other
Br8O4
12
33
285.75
mp-1207479
3.587154
-0.567639
-2.799344
other
Zn4H24
28
33
495.89
mp-1178977
9.008119
9.916348
-2.272164
other
Te8O24
32
33
404.89
mp-651772
-5.638412
-3.351469
-1.176125
other
U4Te20
24
33
852.52
mp-2447
-3.044143
-1.664679
-3.73064
other
P16Se20
36
33
1,032.7
mp-542610
11.35808
10.888071
-3.46763
other
Mo16O44
60
33
949.53
mp-1094287
-6.50037
-10.979414
5.916198
other
Sr1Mg5
6
38
166.93
mp-1094367
-4.308557
-3.75623
4.57077
other
Mg5Ti5
10
38
195.01
mp-1094366
-7.793437
-10.056171
6.571365
other
Mg5Ti1
6
38
130.59
mp-1184420
-5.58401
-7.301519
3.996973
other
Eu5Mg1
6
38
237.8
mp-978274
-7.094365
-7.903857
3.066259
other
Mg3Cd3
6
38
126.27
mp-1185687
-7.491374
-5.578361
5.227941
other
Mg1Sc5
6
38
147.78
mp-1094594
-6.221741
-9.272514
4.465081
other
Li3Mg3
6
38
125.39
mp-1094173
-7.318834
-7.592532
6.361902
other
La3Mg3
6
38
182.71
mp-1094191
-8.519638
-7.286978
3.663156
other
Mg2Zn4
6
38
104.3
mp-1219971
-7.947248
-4.168154
1.605357
other
P1Pd6
7
38
109.1
mp-974974
-4.203584
-7.106883
2.369529
other
Rb3Mg3
6
38
325.22
mp-1094810
-6.305517
-6.086768
5.780155
other
Ce5Mg1
6
38
180.34
mp-1094534
-5.672292
-5.890717
0.46666
other
Mg3Sb3
6
38
149.12
mp-1185830
-7.176013
-10.357825
4.986323
other
Mg5In1
6
38
135.34
mp-1094732
-6.607553
-6.011495
5.517183
other
Ce4Mg2
6
38
159.5
mp-1094304
-4.936598
-7.480269
3.760128
other
Sr3Mg3
6
38
231.32
mp-1094475
-8.166207
-9.36778
4.442163
other
Mg6Zn6
12
38
208.89
mp-1094672
-6.637671
-9.470674
4.841785
other
Mg3Ga3
6
38
120.96
mp-704745
-8.99768
-4.618911
3.086808
other
Cu8O1
9
38
107.98
mp-1094555
-7.222657
-11.182182
4.586662
other
Mg5Sb1
6
38
140.61
mp-1094434
-7.419658
-10.939291
5.349325
other
Mg5Zn1
6
38
123.91
mp-642328
11.454585
9.04658
1.722027
other
U13O34
47
38
731.6
mp-1080522
-7.08044
-5.739728
3.323694
other
Y2Sn6
8
38
220.17
mp-1038760
-5.157804
-7.348798
3.959743
other
Ca8Mg4
12
38
425.9
mp-1094385
-4.354036
-3.731369
4.555492
other
Mg3Ti3
6
38
117.58
mp-1186449
-6.16567
-2.701818
4.324482
other
Pa1V1
2
38
38.31
mp-1094482
-7.708293
-9.950959
6.757678
other
Y1Mg5
6
38
147.11
mp-1094647
-7.057397
-10.67032
5.081937
other
Mg4Ga2
6
38
123.88
mp-977250
-6.99647
-7.216655
6.860182
original
Pm5Mg1
6
38
197.42
mp-1038987
-6.73493
-10.755924
5.965997
other
Ca2Mg10
12
38
310.75
mp-1094488
-8.040923
-9.646108
4.385936
other
Mg3Zn3
6
38
111.04
mp-1039565
-7.768874
-9.670271
6.50469
other
Ce2Mg10
12
38
291.29
mp-1185874
-5.571437
-5.193491
3.095827
other
Mg1Ge5
6
38
115.19
mp-1039419
-6.101019
-6.006563
0.490829
other
Mg6Bi6
12
38
336.52
mp-623460
-7.02988
-5.841846
3.133169
other
Gd2Sn6
8
38
238.68
mp-1094251
-6.809517
-9.33455
3.412966
other
Mg3Sn3
6
38
148.61
mp-1094465
-7.651802
-10.822298
4.966476
other
Mg4Zn2
6
38
119.13
mp-1094512
-6.840142
-9.947377
3.139883
other
Mg4Sb2
6
38
145.82
mp-1094237
-6.161213
-4.30842
3.213276
other
Zr5Sn5
10
38
233.62
mp-1094205
-7.091603
-10.820286
4.8438
other
Mg5Sn1
6
38
137.33
mp-1185698
-6.324634
-5.640644
0.454574
other
Mg1Bi5
6
38
187.69
mp-1094484
-9.223434
-5.986614
3.4287
other
Mg1Zn5
6
38
91.03
mp-1094714
-7.291353
-11.180445
4.347948
other
Mg5Bi1
6
38
143.53
mp-1078505
-7.070822
-5.712842
3.361175
other
Dy2Sn6
8
38
217.51
mp-1094648
-6.685744
-9.593482
4.855779
other
Mg3Ga3
6
38
121.13
mp-1094637
-6.679203
-9.559192
4.862666
other
Mg3Ga3
6
38
118.86
mp-1079543
-3.344196
-2.137433
-5.513012
other
Pb4S4
8
38
258.14
mp-1094357
-4.311907
-3.749082
4.563221
other
Mg5Ti5
10
38
197.74
mp-1038944
-7.053995
-7.897764
3.021553
other
Mg6Cd6
12
38
256.76
mp-1094525
-6.918567
-10.443917
4.232833
other
Mg4Sn2
6
38
143.07
mp-1079474
-7.114367
-5.693471
3.297889
other
Er2Sn6
8
38
216.51
mp-1038799
-6.112687
-6.027354
0.504137
other
Mg6Bi6
12
38
337.97
mp-632475
-3.966519
-0.090858
-3.902764
other
Nb1S2
3
38
56.01
mp-1094409
-7.869328
-9.520767
6.976879
other
Y2Mg4
6
38
161.3
mp-1185804
-6.99054
-10.770567
4.899746
other
Mg5Ge1
6
38
129.09
mp-1094562
-5.740627
-7.129018
3.53479
other
Li4Mg2
6
38
123.86
mp-1038761
-6.100093
-5.979484
0.500041
other
Mg6Bi6
12
38
335.1
mp-1094399
-4.321334
-3.769008
4.567214
other
Mg3Ti3
6
38
118.19
mp-1094545
-5.766361
-5.525207
0.452323
other
Mg2Sb4
6
38
154.34
mp-1186288
-7.262303
-6.845425
7.105226
other
Nd5Mg1
6
38
201.46
mp-1094313
-4.847067
-7.449167
3.54989
other
Sr4Mg2
6
38
260.65
mp-1185805
-7.425782
-10.413778
4.850865
other
Mg5Hg1
6
38
129.15
mp-1094815
-7.729053
-8.587852
6.119284
other
Ce2Mg4
6
38
150.8
mp-1094906
-5.113919
-7.349619
3.829289
other
Ca5Mg1
6
38
237
mp-1180954
-3.896414
-7.194613
2.010328
other
K6Tc3
9
38
284.99
mp-1186744
-7.236828
-6.899392
7.285968
other
Pr5Mg1
6
38
205.82
mp-1094340
-5.33342
-3.102839
3.967357
other
Mg1Ti5
6
38
107.56
mp-1094626
-7.306322
-10.842891
5.295851
other
Mg5Ga1
6
38
126.04
mp-1187320
-7.167418
-6.667553
6.916342
other
Tb5Mg1
6
38
185.32
mp-1094522
-7.322106
-6.81203
6.670311
other
Y4Mg2
6
38
179.81
mp-1039186
-7.083265
-7.993504
3.112017
other
Mg6Cd6
12
38
251.83
mp-1183830
-7.397318
-6.865451
7.113087
other
Dy5Mg1
6
38
183.22
mp-1185098
-6.801221
-6.556773
6.38844
other
La5Mg1
6
38
209.81
mp-1039711
-7.011994
-6.212363
5.490262
other
Ce6Mg6
12
38
316.54
mp-1185829
-7.721818
-9.77905
6.44103
other
Mg5Sc1
6
38
137.75
mp-1022963
7.68205
9.406844
-3.086848
other
Ir2O6
8
38
98.93
mp-1185802
-7.383619
-10.328805
4.738386
other
Mg5Ag1
6
38
124.16
mp-1220181
-5.049645
-4.363983
6.216177
other
Nd4Si5
9
38
213.27
mp-1008823
0.688356
2.154158
2.100294
other
Os1N2
3
38
29.38
mp-1039395
-6.097999
-5.996603
0.467136
other
Mg6Bi6
12
38
325.15
mp-1094311
-6.071548
-10.682644
5.649574
other
Sr2Mg4
6
38
201.27
mp-1187658
-7.521233
-6.818644
7.049796
other
Tm5Mg1
6
38
175.7
mp-1094453
-7.724545
-8.58908
6.857145
other
Y3Mg3
6
38
167.72
mp-2415538
-8.109477
-9.575745
4.526536
other
Mg3Zn3
6
38
113.57
mp-1094200
-6.808075
-9.34256
3.394214
other
Mg3Sn3
6
38
147.55