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-1026710
-7.23981
-11.318789
6.063121
other
Rb1Mg14Mo1
16
38
380.58
mp-1026779
-7.054615
-10.623167
6.258726
other
Sr1La1Mg14
16
38
413.4
mp-1205918
-7.099401
-4.220973
5.23484
other
Nd2Ni1Ge6
9
38
184.05
mp-1023301
-7.273467
-10.65121
6.645262
other
Ca2Mg12Ti2
16
38
383.76
mp-1027990
-7.267646
-10.90713
6.296604
other
Mg14Zr1C1
16
38
344.79
mp-1099108
-6.889781
-10.749914
6.186111
other
K1La1Mg14
16
38
416.7
mp-755963
11.90234
0.748298
-0.080361
other
Fe6O7F5
18
38
205.36
mp-1028134
-7.044261
-10.858158
5.701389
other
Ca1Mg14Cd1
16
38
379.09
mp-1215767
-7.461619
-4.20299
5.092144
other
Yb4Al4Ni4
12
38
209.44
mp-1026787
-7.227392
-10.958511
5.450649
other
Li1Mg14Ga1
16
38
355.06
mp-1023308
-6.908861
-10.874869
5.932375
other
Ca2Mg12Zn2
16
38
377.75
mp-1016514
-6.549304
-11.508415
6.25095
other
Sr2Mg12C2
16
38
377.55
mp-1026814
-7.717916
-10.043559
6.627251
other
Ce1Hf1Mg14
16
38
376.65
mp-1220304
-7.603524
-5.044224
6.336767
other
Nd6Co5Ge2
13
38
293.81
mp-1100171
-7.097413
-11.55476
6.252484
other
Cs1Mg6Mo1
8
38
202.4
mp-1028065
-7.674708
-10.564649
6.360311
other
Y1Mg14V1
16
38
367.17
mp-1027923
-7.116824
-10.615977
6.20168
other
Sr1Mg14Zr1
16
38
391.87
mp-1028209
-7.645576
-10.498661
6.285044
other
Mg14Ti1Al1
16
38
347.33
mp-1026417
-7.657986
-10.440106
6.280847
other
Hf1Mg14Ga1
16
38
352.22
mp-1207374
-7.009602
-4.614434
5.020252
other
Ce2Ge6Au1
9
38
197.59
mp-1215295
-6.887617
-0.89858
4.764506
other
Zr4Cr4Fe4
12
38
177.6
mp-1028102
-7.487651
-10.901851
5.421333
other
Mg14Mn1Ga1
16
38
348.41
mp-1022636
-6.437742
-10.803955
6.363984
other
Cs2Y2Mg12
16
38
475.67
mp-1224291
-4.617991
0.056729
3.045954
original
Hf1Ta1B2
4
38
47.99
mp-1022656
-6.950897
-11.535411
5.586558
other
Mg6Zn1B1
8
38
153.64
mp-1021777
-7.549713
-10.907811
5.27483
other
Mg12Ga2Ni2
16
38
305.31
mp-1028151
-7.698999
-10.006344
6.575994
other
Ce1Mg14Zr1
16
38
372.72
mp-1021897
-8.178574
-11.161717
5.818606
other
Mg12Ni2Mo2
16
38
299.31
mp-1028328
-7.499494
-10.995487
5.493506
other
Mg14V1Sn1
16
38
354.97
mp-1022818
-7.816864
-9.804657
6.803719
other
Y2Mg12Ti2
16
38
378.43
mp-1016352
-6.705638
-11.121572
5.058592
other
Sr2Mg12Bi2
16
38
434.47
mp-1026775
-7.517359
-10.414155
6.256561
other
Ce1Mg14Ga1
16
38
370.98
mp-1021155
-7.805948
-9.67845
6.674276
other
La2Mg12Nb2
16
38
379.58
mp-1022635
-7.390712
-10.438238
6.532882
other
Y2Mg12Si2
16
38
362.27
mp-1226824
-7.639322
-3.56101
5.510669
other
Ce4Al4Co4
12
38
208.01
mp-1028311
-7.316997
-11.040178
5.910213
other
Na1Mg14V1
16
38
363.14
mp-1079209
-6.559066
-4.937168
4.391755
other
Yb2Cu1Ge6
9
38
180.79
mp-1022547
-6.772797
-11.277733
5.942821
other
K2Mg12Fe2
16
38
375.32
mp-1017486
-7.474856
-10.255763
6.512168
other
Li2Hf2Mg12
16
38
355.74
mp-1099268
-7.634434
-10.104068
6.480956
other
Y1Mg6Ga1
8
38
186.51
mp-1017452
-7.881308
-9.719105
6.712955
other
Ce1Mg6Nb1
8
38
183.01
mp-1216112
-5.079658
-4.366394
5.917217
other
Y5Sc5Si6
16
38
354.64
mp-1026463
-7.29326
-11.032269
6.284845
other
Hf1Mg14B1
16
38
338.18
mp-1017377
-6.718441
-11.615525
5.961692
other
Mg6Si1B1
8
38
152.8
mp-1100162
-6.393982
-11.768604
6.085234
other
Rb1Mg6C1
8
38
212.07
mp-569450
-3.425079
1.794771
2.834878
other
Li2B12C2
16
38
118.75
mp-1028299
-7.572577
-10.966203
5.714385
other
Mg14V1Ga1
16
38
348.53
mp-1215191
-7.154922
-2.612965
3.53848
other
Zr1Ti1Ni2
4
38
61.64
mp-1099307
-6.148992
-11.002621
5.814113
other
K1Sr1Mg6
8
38
247.29
mp-1027961
-7.612707
-10.441062
6.312854
other
La1Mg14Fe1
16
38
363.09
mp-1217064
-7.793359
-1.281006
3.112858
other
Ti4Co4Ni8
16
38
185.56
mp-1023076
-6.686851
-11.217524
6.009693
other
Rb2Mg12Mn2
16
38
404.72
mp-1027844
-7.757099
-10.447129
6.3188
other
Mg14Zr1Cr1
16
38
356.74
mp-1215772
-5.751136
-3.507259
-1.226234
other
Yb1U1Te6
8
38
244.69
mp-1023290
-6.656079
-10.901424
5.906763
other
Sr2Mg12Al2
16
38
406.14
mp-1022131
-7.863811
-11.024588
5.772274
other
Mg12V2Cu2
16
38
317.59
mp-1026500
-7.075296
-11.330095
5.633528
other
Mg14Ga1B1
16
38
335.29
mp-754025
6.182611
11.070267
0.417834
other
Ba6Fe6O16
28
38
417.46
mp-1022658
-6.651306
-11.138959
5.94956
other
Sr2Mg12Zn2
16
38
404.67
mp-1021368
-7.463984
-10.660686
6.467297
other
Mg12Ti2Si2
16
38
322.3
mp-1229153
-5.770068
-3.722704
-1.324968
other
Cs1Th2Te6
9
38
353.85
mp-1022053
-7.036749
-11.176674
5.643601
other
Na2Mg12Co2
16
38
337.16
mp-1221417
6.424893
13.544952
-1.991738
other
Na1Co2O4
7
38
84.44
mp-1022130
-7.463935
-11.029094
4.913697
other
Mg12Fe2Sb2
16
38
311.2
mp-1027862
-7.433433
-11.008366
5.174524
other
Mg14Fe1Sb1
16
38
342.66
mp-1099270
-7.741366
-11.113831
5.531607
other
Mg6Zn1Fe1
8
38
154.07
mp-1023159
-6.247872
-10.826627
5.922278
other
Ba2Ca2Mg12
16
38
480.19
mp-754981
15.078949
12.47525
-0.789671
other
V6O7F5
18
38
206.11
mp-1022067
-7.401861
-11.018873
4.963822
other
Mg12Co2Sn2
16
38
318.3
mp-1022074
-7.76986
-10.19259
6.597508
other
Hf2Mg12Cu2
16
38
331.28
mp-1022072
-7.398714
-11.307612
4.448999
other
Mg12Co2Bi2
16
38
338.01
mp-1027800
-7.50773
-10.961777
5.437752
other
Mg14Cd1Fe1
16
38
338.57
mp-1023274
-7.07402
-10.944035
6.01083
other
Ca2Mg12Mn2
16
38
379.06
mp-1022068
-7.386099
-11.043738
4.973258
other
Mg12Co2Sn2
16
38
322.82
mp-1022683
-8.246397
-10.600458
6.505599
other
Y2Mg12Mo2
16
38
355.41
mp-1021373
-7.783207
-9.772799
6.67967
other
La2Mg12Ti2
16
38
392.16
mp-1235016
10.275127
13.490506
-1.03806
other
Li1Cr2O4
7
38
74.34
mp-1022602
-7.872167
-10.224383
6.472215
other
Mg12Nb2Zn2
16
38
327.11
mp-1017453
-7.864252
-10.021172
6.490515
other
Ce2Mg12Cr2
16
38
374.77
mp-1022622
-6.492255
-11.167944
5.838295
other
Ba1Mg6Zn1
8
38
219.75
mp-1027876
-7.424249
-10.613016
5.568031
other
Mg14Zr1Bi1
16
38
370.91
mp-1181407
7.951355
4.738302
-6.391693
other
Gd2C4O12
18
38
287.89
mp-1026438
-7.197233
-10.996308
4.914338
other
Mg14Cd1Sb1
16
38
367.7
mp-1028029
-7.695061
-10.128175
6.584525
other
Y1Mg14Nb1
16
38
368.1
mp-1017484
-7.810741
-9.712787
6.702779
other
La2Mg12Nb2
16
38
378.62
mp-1021308
-6.14709
-11.255932
5.916931
other
Cs2Li2Mg12
16
38
453.65
mp-1021712
-7.660777
-11.119313
5.433225
other
Mg12V2Sn2
16
38
345.49
mp-1017385
-7.031971
-11.182965
5.434463
other
Mg12Cd2Si2
16
38
337.32
mp-1022604
-7.020885
-11.227981
5.584704
other
Mg12Zn2Si2
16
38
323.6
mp-763007
12.090069
-0.711117
1.049827
other
Mn6O3F9
18
38
226.47
mp-1023500
-7.628535
-10.132462
6.565735
other
Y2Mg12Al2
16
38
373.18
mp-1219827
-6.264246
-4.046789
3.659923
other
Pu4Al4Fe4
12
38
208.63
mp-989557
0.675722
2.023928
2.051357
other
Y1Tc1N3
5
38
59.99
mp-758946
5.276511
12.009871
-2.428624
other
Fe2O3F1
6
38
66.69
mp-1023155
-7.893482
-10.245643
6.509957
other
Mg12Zr2Mn2
16
38
343.64
mp-1227320
-6.491484
-6.973295
3.546062
other
Ca2Ga1Ag1
4
38
107.75
mp-1023280
-7.690595
-10.770836
5.807846
other
Mg12Al2Cr2
16
38
330
mp-1026698
-7.152751
-11.119951
5.17127
other
Mg14Si1Sb1
16
38
357.47
mp-1016669
-7.775725
-11.749893
6.092237
other
Mg12B2Mo2
16
38
286.99
mp-1027901
-7.791732
-10.488873
6.330601
other
Hf1Mg14Fe1
16
38
340.98