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-1192112
1.226841
1.774646
-4.204933
other
Zr6Fe1Cl15
22
229
557.88
mp-724972
4.625906
2.077564
-2.796292
other
Na5C3N6
14
229
190.52
mp-1078865
-3.561976
-1.709687
-4.433574
other
Sb1S4N3
8
229
109.94
mp-1191722
-9.013797
-1.864506
3.17003
other
Ho6Ga4Ni12
22
229
347.72
mp-1191765
-8.457443
-1.978896
3.249923
other
Pr6Si4Ni12
22
229
358.19
mp-1191661
-8.973778
-1.89162
3.161681
other
Dy6Ga4Ni12
22
229
353.27
mp-1190765
-8.468251
-1.927016
3.298211
other
Nd6Si4Ni12
22
229
355.4
mp-1232290
8.746032
1.726436
-0.51288
other
Cu3Sb1F12
16
229
232.21
mp-1192164
-8.455066
-1.818736
3.243106
other
Er6Si4Ni12
22
229
332.1
mp-35005
12.132051
11.175214
-1.436538
other
Na3W4O12
19
229
244.7
mp-1207934
-7.504697
-4.035812
5.111289
other
U4Ga12Ni1
17
229
315.76
mp-510324
-8.526783
-1.874924
3.119557
other
Ce6Si4Ni12
22
229
336.41
mp-27724
-2.645231
-0.523782
-5.27187
other
B1P1S4
6
23
141.57
mp-28100
-4.531054
-1.021662
-5.041378
other
Na2Fe2S4
8
23
208.3
mp-1180553
8.841321
3.25639
-7.64019
other
Li4C1O4
9
23
71.37
mp-550679
8.407355
4.275561
-6.5981
other
Rb4C1O4
9
23
187.18
mp-1225604
-5.419946
-1.016599
-4.115735
other
Fe1Ni35S32
68
23
968.68
mp-1071955
-2.451639
-0.473956
-5.465379
other
Al1P1S4
6
23
155.82
mp-1444113
10.0553
0.472746
0.586483
other
Mg2Co2F8
12
23
126.89
mp-1204825
-9.453229
-5.260635
3.395927
other
Gd2Zn40Co4
46
227
693
mp-16126
-5.601431
-5.313742
3.341317
other
Rb2Na4Ge34
40
227
937.4
mp-1211405
1.378644
2.475837
-5.690752
other
K4Tl4Cl8
16
227
516.43
mp-30902
8.202934
11.135278
1.162147
other
Er4Ru4O14
22
227
262.53
mp-1197936
-9.538787
-5.22223
3.50831
other
U2Zn40Fe4
46
227
697.84
mp-755611
10.172608
13.728358
-0.872845
other
Na2Cr4O8
14
227
162.94
mp-2883
9.9993
9.327449
1.692244
other
Sm4Sn4O14
22
227
292.28
mp-722937
1.025584
0.956666
2.724601
other
Zr12Zn12N4
28
227
441.63
mp-1045397
-5.406705
-0.785009
-4.430601
other
Li2Ni4S8
14
227
226.33
mp-5602
-5.452668
-1.7816
-3.919634
other
Cr4Hg2Se8
14
227
318.29
mp-38070
9.871209
9.603489
-1.66606
other
Rb2Te4O12
18
227
279.93
mp-1046875
9.607021
8.657407
0.084351
other
Ca2Bi4O8
14
227
249.73
mp-756148
8.179778
10.90298
-0.025733
other
Sm4Pt4O14
22
227
276.65
mp-1395289
-5.366055
-0.751161
-4.604053
other
Zn2Fe4S8
14
227
226.94
mp-1261252
11.123996
12.098279
1.485231
other
Ti4Al4O14
22
227
220.27
mp-35249
10.432912
9.486513
3.646111
other
Sm4Hf4O14
22
227
294.26
mp-1346622
6.015941
11.551262
-1.126562
other
Y4Ni4O14
22
227
240.78
mp-1197724
-6.581542
-2.640338
6.378816
other
Ce2Al40V4
46
227
747.25
mp-1210644
7.011167
5.986617
-3.018951
other
Nd2Hf2O28
32
227
312.88
mp-20643
8.124037
11.190384
1.134799
other
Y4Ru4O14
22
227
270.17
mp-8272
-3.096164
-2.140074
-5.215721
other
Yb4Mg2S8
14
227
353.62
mp-1192130
9.820193
11.213232
-0.586559
other
Cd4Tc4O14
22
227
264.43
mp-4155
10.459999
11.210109
3.171668
other
Ca4Nb4O14
22
227
296.36
mp-567527
-6.521519
-2.70632
6.452085
other
Eu2Al40V4
46
227
750.21
mp-18503
-5.226557
-0.923806
3.882007
other
Al8Re12B4
24
227
311.16
mp-1195666
-6.508526
-2.780325
6.393607
other
La2Al40V4
46
227
778.18
mp-20011
9.671809
9.932353
-0.975362
other
Na4Sb4O12
20
227
280.07
mp-1398164
7.011084
9.537789
-1.57909
other
Mg2Ag4O8
14
227
184.01
mp-21333
8.614762
13.158147
-0.931501
other
Cd2Fe4O8
14
227
166.67
mp-14105
12.351619
7.673358
0.433396
other
Al2Tl2O4
8
227
132.15
mp-755026
8.225112
10.72027
0.257242
other
La4Pt4O14
22
227
293.02
mp-18847
12.889009
12.613974
-0.58201
other
V4Cd2O8
14
227
173.98
mp-1047318
12.68686
10.729388
1.875702
other
Ca2Ti4O8
14
227
175.32
mp-1199103
-6.569248
-2.728291
6.454416
other
U2Al40Cr4
46
227
740.1
mp-759448
5.992807
12.387474
-1.639749
other
Na2Fe4O8
14
227
148.64
mp-755116
8.383421
10.783124
-0.455073
other
In4Pt4O14
22
227
250.84
mp-1232045
-3.284367
-1.972777
-5.374216
other
Eu4Mg2S8
14
227
372.38
mp-755869
7.341672
12.482222
1.50758
other
Dy4Mn4O14
22
227
242.4
mp-1192636
-5.979196
-0.102041
3.282646
other
Co12W12C4
28
227
341.57
mp-1232096
-2.745742
-2.681201
-5.74997
other
Nd4Mg2S8
14
227
379.42
mp-554638
7.634531
11.415607
0.256156
other
Ca4Ru4O14
22
227
268.26
mp-769189
6.391787
8.720231
-0.250711
other
Dy4Bi4O14
22
227
325.73
mp-17064
9.907626
9.348767
1.527077
other
Gd4Sn4O14
22
227
288.51
mp-1178175
5.958328
8.793421
-0.919765
other
Ho4Pb4O14
22
227
300.21
mp-570883
-7.468097
-6.960192
3.849665
other
Ca42Zn72Ni4
118
227
2,537.45
mp-20696
-6.087484
0.262927
3.425349
other
Fe12W12C4
28
227
339.67
mp-17768
-6.386095
-1.069133
3.815409
other
Nb12Cr12C4
28
227
386.69
mp-669554
-7.547973
-1.357152
3.046636
other
Mn12Si4Ni8
24
227
305.24
mp-563032
-4.778538
-7.020843
2.972613
other
Ba42Si4O10
56
227
2,416.54
mp-1001012
-2.885142
-2.518634
-5.653737
other
Sc4Zn2S8
14
227
289.44
mp-760425
10.429018
9.368829
3.788685
other
Tb4Zr4O14
22
227
299.06
mp-1389421
-5.255928
-0.760137
-4.631926
other
Mg2Fe4S8
14
227
239.61
mp-559482
10.442202
10.461205
1.61333
other
Ti4Bi4O14
22
227
282.28
mp-756301
7.534002
13.671944
-1.70014
other
Cd2Co4O8
14
227
146.07
mp-776165
7.308713
10.042594
-1.521639
other
Ag4Au4O12
20
227
273.49
mp-1393403
7.185752
10.970788
-0.673597
other
Ca2Cu4O8
14
227
168.82
mp-733678
9.440232
10.089911
-3.83667
other
Mo24P2O92
118
227
3,400.64
mp-1191195
7.959969
8.908071
0.610135
other
Eu4Hf4O14
22
227
294.29
mp-22584
8.546827
14.697099
-1.002854
other
Li6Mn12O24
42
227
393.48
mp-687205
10.864844
10.807307
0.5528
other
Tc4Pb4O12
20
227
286.17
mp-1193346
0.72175
0.807423
3.065432
other
Zr16Co8N4
28
227
453.85
mp-1190856
10.047959
11.014036
-0.616472
other
Mn4Sb4O14
22
227
272.98
mp-1103546
-5.485875
-2.164757
-3.922802
other
Mn4Zn2Se8
14
227
303.12
mp-12817
-9.585725
-5.272592
3.406311
other
Tb2Zn40Fe4
46
227
674.19
mp-1200087
-6.543144
-3.272446
6.384428
other
La2Ti4Al40
46
227
783.85
mp-504834
12.405644
8.899437
2.426923
other
Zr12V12O4
28
227
482.41
mp-3334
10.18485
9.306368
1.6386
other
Tm4Sn4O14
22
227
273.95
mp-4394
9.966783
9.280089
1.505385
other
Pr4Sn4O14
22
227
303.66
mp-1222025
7.718821
13.616277
-1.61031
other
Mn2Co4O8
14
227
155.88
mp-1047726
12.92625
10.791265
0.062486
other
Mg2Mo4O8
14
227
181.62
mp-16992
-4.060091
-1.388059
-5.454132
other
Na4Ag12S8
24
227
475.82
mp-754077
12.353853
11.697599
0.166904
other
V2Cr4O8
14
227
157.09
mp-1375270
9.432565
13.346769
-1.339099
other
Al4Cr4O14
22
227
214.03
mp-756212
13.264634
9.046599
-1.360592
other
V4Si4O14
22
227
197.37
mp-3880
-5.618013
-1.847329
-3.981968
other
Cr4Cu2Se8
14
227
278.76
mp-22766
10.011374
8.91646
0.55277
other
Ca2In4O8
14
227
201.09
mp-756646
9.836738
8.454421
3.210605
other
Sr2Lu4O8
14
227
217.54
mp-1194349
-6.31035
-1.31284
3.249859
other
Nb12Ni12C4
28
227
370.29
mp-1101257
8.353546
10.943765
0.005659
other
Tm4Pt4O14
22
227
256.86
mp-755723
5.920861
8.818923
-0.909516
other
Er4Pb4O14
22
227
297.92
mp-754114
10.289761
8.674679
3.255654
other
Sr2Sc4O8
14
227
203.09