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-1021285
-6.806831
-11.512493
5.992143
other
Li2Mg12B2
16
38
311.13
mp-1026518
-7.846822
-11.04624
5.794653
other
Mg14Ga1Mo1
16
38
339.34
mp-765691
12.749899
-1.160194
0.895564
other
Mn6O5F7
18
38
215.85
mp-1021274
-7.147783
-10.992278
5.242911
other
Li2Mg12Cd2
16
38
351.11
mp-1028052
-7.252856
-10.635544
6.169281
other
Li1Y1Mg14
16
38
377.31
mp-1028107
-7.229064
-10.963934
5.622703
other
Na1Mg14Mn1
16
38
364.17
mp-1216908
-5.256637
-4.468224
5.969944
other
Tm6Sc6Si6
18
38
397.87
mp-1023001
-7.815684
-9.797262
6.791955
other
Y2Mg12Ti2
16
38
378.12
mp-1217864
-6.137152
-1.498638
3.709041
other
Ta4V4Ni4
12
38
169.2
mp-1016648
-7.857994
-11.651493
6.075972
other
Mg12B2Mo2
16
38
305.47
mp-1099305
-6.622243
-11.274393
5.152442
other
K1Mg6Sb1
8
38
207.94
mp-1027832
-7.236508
-11.052948
5.388355
other
Li1Mg14Cu1
16
38
344.3
mp-1217028
-5.056863
0.501326
3.197191
other
Ti1B2Mo1
4
38
41.1
mp-1016572
-6.473358
-11.254
5.751814
other
Cs1Mg6Ga1
8
38
274.52
mp-1016629
-8.258533
-11.215097
5.886861
other
Mg12Cd2Mo2
16
38
327.13
mp-1099107
-6.643793
-10.901959
5.888907
other
Sr1Mg6Al1
8
38
203.72
mp-1017081
-6.515287
-11.289118
5.802007
other
Rb2Mg12Ga2
16
38
435.15
mp-1017325
-7.814566
-11.243585
6.07323
other
Na2Mg12Mo2
16
38
346.23
mp-777398
10.207098
0.656692
-0.439774
other
Co6O1F11
18
38
215.5
mp-1027984
-7.59837
-10.988793
5.740855
other
Mg14V1Zn1
16
38
346.56
mp-1026805
-7.683725
-9.987276
6.545814
other
La1Ce1Mg14
16
38
395.18
mp-849342
12.097562
-0.714112
1.042021
other
Mn10O5F15
30
38
377.25
mp-1022889
-7.138789
-11.440475
5.858449
other
Mg12Mn2B2
16
38
303.21
mp-13501
-2.85183
0.633299
2.553933
other
Er1Co1C2
4
38
46.28
mp-1028290
-6.82273
-11.086111
5.559785
other
Rb1Mg14Sn1
16
38
399.78
mp-1017309
-7.223807
-10.934645
5.793227
other
Na2Mg12Cr2
16
38
362.56
mp-1023156
-8.163472
-11.442237
6.495187
other
Ca2Mg12W2
16
38
356.31
mp-1018806
-5.831134
1.729863
-4.617535
other
Mo2Se2S2
6
38
177.35
mp-1022136
-7.967195
-10.349142
6.457337
other
Hf2Mg12Fe2
16
38
320.5
mp-1022615
-8.6342
-11.328977
6.084273
other
Mg12Zn2W2
16
38
309.86
mp-1022415
-7.832586
-11.100252
5.669826
other
Mg12Fe2Cu2
16
38
300.59
mp-1023263
-6.180588
-10.885225
5.862957
other
K2Ca2Mg12
16
38
457.08
mp-1017292
-6.142456
-11.063375
5.799509
other
Rb2Sr2Mg12
16
38
516.47
mp-1022345
-7.545383
-10.523677
5.572729
other
Mg12Zr2Bi2
16
38
373.96
mp-1099308
-6.399907
-11.052963
5.907982
other
Ba1Li1Mg6
8
38
218.54
mp-1026768
-7.211277
-11.03765
4.93965
other
Li1Mg14Bi1
16
38
371.05
mp-1023013
-6.577051
-11.285704
5.902632
other
Rb2Mg12Mn2
16
38
420.27
mp-1023336
-6.800169
-11.029994
5.993887
other
Ca2Mg12Si2
16
38
370.22
mp-999287
-2.697938
0.31303
2.41241
other
Pr1Rh1C2
4
38
59.49
mp-1026406
-7.440295
-10.62643
5.623789
other
Hf1Mg14Bi1
16
38
368.11
mp-1226031
-6.163876
-1.39997
1.816419
other
Cr5Ni1As3
9
38
127.63
mp-1022184
-7.4089
-11.25431
4.671429
other
Mg12Fe2Bi2
16
38
340.75
mp-754574
8.801115
15.490501
-1.523981
other
Mn10O15F5
30
38
319.76
mp-1023486
-7.627008
-10.784232
5.651142
other
Mg12Mn2Al2
16
38
326.78
mp-1026528
-7.475195
-10.663204
5.638188
other
Mg14Nb1Bi1
16
38
360.71
mp-1219466
-5.42331
-3.009033
4.249549
other
Sc4Nb6Si6
16
38
279.88
mp-1021211
-8.390572
-10.704154
6.471056
other
Ce2Mg12W2
16
38
353.41
mp-1099334
-7.324637
-10.344515
5.743057
other
Ce1Mg6Sb1
8
38
198.43
mp-1227346
-6.852234
-6.927984
3.720679
other
Ca2Cu1Ag1
4
38
101.79
mp-1026902
-7.021883
-11.42244
5.610746
other
Mg14Cu1B1
16
38
336.41
mp-1099311
-7.950173
-10.001988
6.503878
other
Ce1Mg6V1
8
38
181.79
mp-1026444
-7.793646
-10.171926
6.50679
other
Mg14Ti1Nb1
16
38
346.4
mp-1028157
-7.535731
-10.988209
5.440891
other
Mg14Mn1Cu1
16
38
336.53
mp-1017080
-6.499662
-11.267592
5.910651
other
Cs2Mg12Cr2
16
38
447.31
mp-1026630
-7.309764
-10.914594
6.341291
other
Hf1Mg14C1
16
38
343.1
mp-1017474
-8.134196
-10.441911
6.406116
other
La2Mg12Mo2
16
38
367.86
mp-556107
-2.561201
-2.324852
-5.255362
other
Nd12Nb10S32
54
38
1,115.2
mp-1223884
-3.785202
-4.410257
0.412783
other
In4As1P3
8
38
217.55
mp-1216442
-7.037455
-1.177655
5.416735
other
U4Al4Fe4
12
38
193.52
mp-1215712
-7.119755
-0.444328
5.050128
other
Zr4Cr2Fe6
12
38
176.13
mp-1022712
-6.403067
-11.325582
5.802074
other
Cs1Mg6Zn1
8
38
286.1
mp-1217089
-5.338026
-2.815731
4.812521
other
Ti2Al1Si3
6
38
87.29
mp-1205805
-6.994785
-4.204173
5.244005
other
Y2Ni1Ge6
9
38
175.27
mp-1023140
-7.887729
-9.910931
6.68436
other
Ce1Mg6Mn1
8
38
176.77
mp-1016642
-8.316477
-11.253607
6.017911
other
Mg12Ga2Mo2
16
38
316.42
mp-1218054
-4.958724
0.062483
3.358244
other
Ta3Re3B4
10
38
119.98
mp-1021703
-7.305811
-11.297636
4.411205
other
Mg12Ni2Bi2
16
38
337.78
mp-1206885
-6.899069
-4.416351
5.005755
other
Tm2Cu1Ge6
9
38
172.25
mp-1023270
-7.141613
-10.793537
5.329981
other
Mg12Al2Ga2
16
38
338.35
mp-1023298
-8.033081
-11.135768
6.026189
other
Mg12Al2Mo2
16
38
315.13
mp-1228791
-5.515336
-6.86601
3.214554
other
Ba36Al9Sn23
68
38
2,607.5
mp-1023494
-7.580029
-10.950972
5.678334
other
Mg12Al2Fe2
16
38
312.91
mp-755039
11.209924
1.677119
2.582744
other
Fe6O1F11
18
38
226.83
mp-1027976
-7.153235
-11.139174
5.568349
other
Mg14Zn1Si1
16
38
345.99
mp-1272815
5.725964
11.566113
-0.159339
other
Sr4Co4O12
20
38
235.47
mp-1178481
10.681334
0.722946
-0.969918
other
Co10O5F15
30
38
349.9
mp-1026828
-6.673421
-11.143386
5.884877
other
Cs1Li1Mg14
16
38
402.21
mp-1225437
-7.010878
-4.215396
5.388642
other
Dy2Cr1Ge4
7
38
142.87
mp-1027879
-6.988556
-10.761686
6.215077
other
Rb1Mg14Zr1
16
38
394.49
mp-1221407
-6.468787
-0.675383
3.662154
other
Mn5Fe5Si6
16
38
188.78
mp-1102283
-6.055746
-0.63227
1.27696
other
Mg1Co6P4
11
38
138.3
mp-1022590
-7.790214
-10.189761
6.572622
other
Hf2Mg12Zn2
16
38
341.64
mp-1026459
-8.05792
-11.121114
5.913188
other
Mg14Cd1W1
16
38
341.7
mp-2225828
12.831468
10.747909
1.811051
other
Mg1Ti2O4
7
38
81.35
mp-1028360
-7.337789
-10.987066
5.434821
other
Li1Mg14Ni1
16
38
338.31
mp-1227265
-7.752911
-5.811631
3.342507
other
Ca2Pt1Au1
4
38
96.15
mp-1022479
-7.755465
-10.11097
6.369873
other
Mg12Zr2Ga2
16
38
343.02
mp-1023014
-6.781095
-11.173285
6.00258
other
K2Mg12Mn2
16
38
385.13
mp-1099306
-6.338397
-11.294006
5.788808
other
Cs1Mg6Co1
8
38
233.55
mp-850409
12.502962
1.002381
2.50648
other
Fe10O5F15
30
38
366.82
mp-1022047
-7.884233
-10.312715
6.420015
other
Mg12Nb2Co2
16
38
306.55
mp-1217992
-5.13301
0.085191
3.2682
other
Ta3B4W3
10
38
122.23
mp-1023122
-7.808476
-9.511079
6.673569
other
Ce1Y1Mg6
8
38
205.84
mp-1026861
-7.232409
-10.581017
6.162399
other
Li1La1Mg14
16
38
389.06
mp-1224438
-5.395478
-3.227254
4.313771
other
Hf4Nb4Si4
12
38
217.19
mp-1021710
-8.424286
-11.10534
6.039168
other
Mg12V2Mo2
16
38
315.46
mp-1028247
-7.452939
-10.544791
6.199816
other
Y1Mg14Ni1
16
38
360.97
mp-1026817
-7.539385
-10.521375
6.272078
other
Li1Mg14Nb1
16
38
351.29
mp-1026759
-7.918221
-10.672108
6.370731
other
La1Mg14Mo1
16
38
365.19
mp-1226900
-8.129128
-4.274395
4.80817
other
Ce3Mg2Rh4
9
38
185.36