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-1189924
-8.623547
-6.373913
4.598706
other
Nd4Zn10Sn2
16
63
330.08
mp-680813
-9.067631
-5.055358
3.696184
other
Sr4In24Cu28
56
63
1,005.08
mp-1210815
-5.275781
-3.613374
6.013939
other
Lu6Co4Si6
16
63
271.21
mp-2466847
9.887414
2.453758
1.523887
other
Li2V2F8
12
63
175.81
mp-974887
-7.271203
-6.084146
4.045344
other
Li2Nd2Sn4
8
63
196.87
mp-1206321
-0.300768
1.041619
-4.386273
other
Yb2Tl2Br6
10
63
332.8
mp-989554
0.721142
2.289093
1.948069
other
La2Mn2N6
10
63
131.38
mp-30317
1.538402
1.79606
1.045141
other
Sr4Au2N2
8
63
193.23
mp-7467
7.348851
9.788754
-0.264872
other
Rb2Cu2O4
8
63
155.28
mp-1043005
6.865553
9.10015
-1.00215
other
Ca2Bi4O10
16
63
320.33
mp-1206113
-5.461924
-2.285988
5.37698
other
U2Fe2Si4
8
63
125.48
mp-558155
9.403297
0.501587
0.660259
other
K2Fe2F8
12
63
181.6
mp-10057
-5.463284
0.671924
3.145796
other
V2Co2B6
10
63
77.17
mp-754041
10.055123
9.166863
3.468916
other
Gd4Hf2O10
16
63
259.92
mp-755415
9.963342
2.474384
1.538511
other
Li2V2F8
12
63
164.65
mp-30235
-7.877641
-3.156833
4.753346
other
Lu6Ge6Ir4
16
63
303.83
mp-31182
-7.731138
-3.804346
5.728098
other
Er2Al4Ni2
8
63
137.56
mp-1077386
-5.971619
-0.542665
1.946743
other
Li2Fe2P2
6
63
78.51
mp-1043327
12.761572
10.452483
0.039077
other
Ca2W4O10
16
63
275.57
mp-30911
-7.601487
-4.684085
3.234067
other
Tb2Co2Sn4
8
63
179.03
mp-8446
-3.641339
-4.696817
0.640714
other
K4Cu2P2
8
63
208.93
mp-818581
9.967948
0.959951
-0.239277
other
Fe6O2F18
26
63
368.89
mp-7566
13.046319
5.954634
-6.865018
other
In2P2O8
12
63
145.83
mp-1207613
-7.805197
-3.119876
5.56112
other
Yb4Al18Ir6
28
63
477.32
mp-1213073
-7.688119
-3.12958
5.708145
other
Dy4Al18Ir6
28
63
461.87
mp-1205641
-3.606747
-4.472247
0.704972
other
Rb4P4Pt2
10
63
291.2
mp-1209890
-7.742687
-3.178256
5.695496
other
Nd4Al18Ir6
28
63
477.56
mp-17753
7.892422
10.4992
1.760713
other
Nd6Ru2O14
22
63
304.24
mp-18287
-6.752547
-4.389944
0.827016
other
Ce4Sb6Pd18
28
63
531.42
mp-1071458
2.897314
-0.369225
-1.671713
other
Ti2Ni2H2
6
63
60.87
mp-22717
-8.010072
-5.883729
3.418461
other
Ca2In4Pd2
8
63
183
mp-1212887
-8.271611
-2.567573
5.495083
other
Er4Ga18Ru6
28
63
458.01
mp-11958
-7.535662
-5.408875
2.820316
other
Ca2Sn4Pd2
8
63
186.91
mp-973395
-4.099434
1.622019
3.089662
other
Ho6Re2B14
22
63
257.15
mp-1209876
-7.148192
-2.275722
6.477252
other
Nd2Al20Ru4
26
63
424.19
mp-1190975
-5.322103
-5.766614
0.458181
other
Rb4Zn10Sb8
22
63
590.32
mp-27998
11.001698
11.810811
2.843112
other
K2Nb6O16
24
63
369.68
mp-1246887
2.102624
2.391202
1.19806
other
Cd14Si2N12
28
63
412.57
mp-755461
10.369602
9.40955
3.328661
other
Dy6Ta2O14
22
63
295.12
mp-18779
7.974441
10.191506
-3.740992
other
Na4Cr2O8
14
63
187.88
mp-997024
7.935318
9.704021
-1.180161
other
Cs2Au2O4
8
63
198.67
mp-1014226
0.990148
1.187179
2.895662
other
Zr6Zn2N2
10
63
171.22
mp-22767
-7.937048
-3.882824
5.352327
other
Th2Ga8Co2
12
63
211.69
mp-3247
-3.622106
-1.222743
-5.237851
other
Cs4Ti2S6
12
63
378.62
mp-1191003
-4.087012
1.661054
3.08418
other
Er6Mn2B14
22
63
247.23
mp-570303
-1.151596
1.899173
-1.737849
other
K2Tm2I6
10
63
386.92
mp-1086668
-7.766413
-4.601732
3.362571
other
La2Sn4Rh2
8
63
196.64
mp-1206216
-5.3481
-3.312512
5.811466
other
Th2Co2Si4
8
63
137.4
mp-1206051
-7.600346
-4.122442
5.839211
other
Nd2Al4Ni2
8
63
152.08
mp-997002
7.91081
10.002002
-1.3716
other
K2Au2O4
8
63
152.21
mp-1247354
4.907521
2.309701
-3.106133
other
Re2C12N18
32
63
532.19
mp-1193796
-7.207483
-2.334752
6.418247
other
U2Al20Ru4
26
63
417.85
mp-1213136
-8.270617
-3.386873
5.123886
other
Dy4Ga18Ir6
28
63
460.18
mp-1866196
9.039912
11.49426
-2.556124
other
Ca2Cr4O10
16
63
235.93
mp-764056
7.423716
11.734279
-0.858844
other
Na6Ni4O8
18
63
236.11
mp-1077485
-7.059254
-5.422341
4.275637
other
Ho2Sn2Ge2
6
63
140.24
mp-1080530
-5.203973
-2.846903
5.905592
other
Pr2Mn2Si4
8
63
143.78
mp-1095512
-5.521301
-2.223323
5.921384
other
Nd4Fe4Si4
12
63
211.9
mp-23017
-0.344549
1.442355
-4.737614
other
Cs2Cu4Br6
12
63
354.59
mp-662563
-5.052239
-2.466087
-3.556478
other
Cs2Fe4Se6
12
63
359.74
mp-758605
10.465936
0.072474
0.239991
other
Li2Mn2F8
12
63
151.91
mp-1210780
-4.655758
-4.506547
6.054162
other
Li4Pr4Si6
14
63
283.96
mp-1190600
9.575423
9.204468
2.598261
other
La12Sb4O28
44
63
658.75
mp-1214503
8.597745
1.486924
1.626895
other
Ba6Zr2F20
28
63
449.66
mp-1025420
-4.98318
-3.777982
5.86765
other
Sm2Si4Ni2
8
63
133.99
mp-16838
-6.411332
-2.141411
1.048417
other
Eu2Ni10As6
18
63
264.07
mp-3787
-4.701228
-1.117945
-4.941244
other
Rb2Fe4S6
12
63
289.82
mp-759856
11.097713
11.026733
-3.173755
other
W2O4F4
10
63
128.5
mp-1247322
4.830711
2.300418
-3.135458
other
Nb2C12N18
32
63
539.25
mp-753042
11.543734
1.504319
2.652206
other
Fe8O2F14
24
63
299.83
mp-1209089
-7.25278
-2.413643
6.112338
other
Sc4Al18Co6
28
63
409.5
mp-753020
13.13659
0.580361
1.687205
other
Fe8O6F10
24
63
283.03
mp-1105368
-0.627513
1.117336
-3.997387
original
Nb2Al2Br16
20
63
690.76
mp-1340542
12.829402
10.10034
0.384265
other
Ca2W10O14
26
63
329.58
mp-1206651
-5.200865
-3.606018
5.839471
other
La2Co2Si4
8
63
143.05
mp-1095471
-7.960299
-4.85212
5.938569
other
Sm2Ga2Co2
6
63
120.25
mp-19912
-3.837447
-3.664052
-3.13396
other
U2Mn2Se6
10
63
196.08
mp-22365
7.152079
10.174793
0.267751
other
Eu6Ru2O14
22
63
292.41
mp-20108
-7.886017
-5.898219
3.425589
other
Ca2In8Pd2
12
63
284.81
mp-28231
11.64509
12.743778
1.362599
other
Ti4Fe2O10
16
63
183.94
mp-1079054
7.538949
10.94047
-0.242033
other
Ca2Ir2O6
10
63
128.74
mp-14244
-5.008963
-4.176537
5.752879
other
Y6Si6Pd4
16
63
314.16
mp-11431
-8.231517
-3.249691
4.074965
other
Ca2Ga6Ni4
12
63
193.8
mp-754732
10.160186
12.519452
-3.993126
other
Na2V8O20
30
63
405.75
mp-18906
13.186595
8.344269
-7.160043
other
Cr4P4O16
24
63
246.86
mp-1104181
-5.315301
0.271457
3.12314
other
Ni2B6W6
14
63
144.13
mp-866850
-3.413189
-1.596107
-5.786663
other
Ca2Sn2S6
10
63
221.28
mp-1079224
-1.056556
1.535509
2.432693
other
V6As2N2
10
63
120.34
mp-1188258
-7.732898
-2.973633
5.339468
other
Tb6Ge6Ru4
16
63
322.53
mp-1188989
-7.645666
-3.327971
5.329619
other
Tb6Co4Ge6
16
63
308.22
mp-1205797
-2.749899
-2.742065
-5.246695
other
Ce2Lu2S6
10
63
239.69
mp-752724
10.215866
9.647055
3.404022
other
Ho4Ti2O10
16
63
235.39
mp-1080232
-1.301156
2.487896
-2.206305
other
Cs2Sr2I6
10
63
489.17
mp-1210912
-7.674208
-3.23486
5.620696
other
Lu4Al18Rh6
28
63
452.55
mp-18468
-6.38401
-0.35183
3.410353
other
Mn20Si4C4
28
63
294.47
mp-542930
-8.218313
-3.249593
5.055449
other
Eu4Ga18Ir6
28
63
479.81
mp-1297017
12.317695
11.777593
-1.183044
other
V4Re4O16
24
63
250.36
mp-849246
10.66855
12.112595
2.309508
other
Ti4Cd2O10
16
63
206.18
mp-1095161
-7.256416
-2.277689
5.762745
other
Sm2Mn2Ge4
8
63
159.21
mp-1245505
0.390176
2.389916
2.107572
other
Mn4V2N6
12
63
122.1