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-1079449
-5.639907
-2.85972
5.813522
other
Nd2Si4Ir4
10
129
167.7
mp-13097
-4.794277
-5.168753
0.224713
other
Na2Zn2As2
6
129
120.67
mp-23057
-0.424905
1.591519
-4.741509
other
Cs2Li2Br4
8
129
266.57
mp-1181717
-6.300632
-2.341411
-0.358121
other
Co2Te2Mo2
6
129
109.46
mp-1080567
-6.218352
-3.513995
0.814275
other
Sm2Ni4Sb4
10
129
194.92
mp-9587
0.358313
1.81374
2.466786
other
Ta2Mo2N2
6
129
75.33
mp-1029275
1.936813
1.81363
2.062089
other
Sr2Zr2N4
8
129
136.46
mp-1079872
-6.209757
-3.989738
0.844037
other
Pr2Fe2Sb4
8
129
191.82
mp-19848
-5.847367
-4.715689
0.78062
other
Pr2Cu2Sb4
8
129
195.77
mp-1078794
-7.727012
-4.427402
3.411665
other
Ce2Ni4Sn4
10
129
198.89
mp-1103397
8.690149
1.832048
1.469192
other
Ba2Sn2F8
12
129
209.48
mp-1246688
2.0843
1.932452
2.103822
other
Zr2Sn2N4
8
129
128.87
mp-1078445
-6.649282
-5.501844
3.362231
other
Nd4Bi2N2
8
129
210.17
mp-8751
-3.71593
-1.728735
-5.45818
other
Rb2Li2S2
6
129
141.37
mp-23072
9.389095
8.135293
-0.46551
other
Bi2Br2O2
6
129
129.51
mp-19917
-4.511295
-3.413851
4.171993
other
Zr2Si2Te2
6
129
138.23
mp-505769
-5.647369
-5.119753
0.697833
other
Eu2Cu4Sb4
10
129
218.59
mp-1078787
-8.993211
-6.134926
3.216369
other
Sm2Al4Au4
10
129
198.23
mp-1078739
-6.030096
-4.700871
1.111617
other
Y2Ag2Sb4
8
129
197.11
mp-754474
-5.06384
-3.242375
2.838636
other
U2Si2S2
6
129
113.33
mp-21358
-7.946806
-3.902416
3.613686
other
Ce2Sn4Ir4
10
129
215.95
mp-27335
-3.773707
-5.11892
6.14354
other
Na2Al2Si2
6
129
123.12
mp-21015
-5.950149
-4.615039
0.919442
other
Ho2Cu2Sb4
8
129
179.89
mp-7916
-4.770177
-3.077951
4.394438
original
Hf2Si2S2
6
129
99.26
mp-21463
-5.953672
-3.510896
4.434595
other
Pr2Ti2Ge2
6
129
138.47
mp-20528
7.168235
11.60534
-1.026718
other
K2Co2O4
8
129
118.5
mp-768906
10.58459
8.063638
2.617134
other
Y2Br2O2
6
129
127.51
mp-1190994
11.001229
8.638428
2.652011
other
Nd8H8O8
24
129
346.53
mp-1176614
-5.050537
-2.335492
1.381367
other
Li2Mn2P2
6
129
81.22
mp-1226053
-6.771065
-2.76229
1.029592
other
Co2As2Pd2
6
129
87.83
mp-1019099
-5.580964
-1.027832
1.213871
other
Sm2Co2P2
6
129
113.79
mp-1246309
-5.841116
-3.925471
-1.883198
other
Bi2Te2N2
6
129
164.66
mp-20227
-4.311339
-3.327611
0.771298
other
Na2Mn2P2
6
129
101.37
mp-505803
-6.483817
-1.225156
1.792902
other
Mn2Fe2As2
6
129
81.72
mp-753173
10.573775
7.903586
2.653305
original
Ho2I2O2
6
129
143.59
mp-7194
-5.417342
-4.0534
0.507089
other
Tb2Cu2As4
8
129
150.02
mp-19000
10.27823
8.973934
-6.291086
other
V2P2O10
14
129
161.66
mp-1078411
-8.253372
-6.15147
2.677232
other
Sr2Sn4Au4
10
129
251.44
mp-15293
-6.104836
-3.349014
4.367667
other
Tm2Ti2Ge2
6
129
121.68
mp-1019357
-3.563349
-3.906722
-3.333668
other
Th2As2Se2
6
129
146.45
mp-20195
-7.14278
-1.879185
5.814755
other
La2Mn2Ge2
6
129
135.95
mp-1018725
-5.304021
-2.169523
5.692935
other
Ho2Fe2Si2
6
129
103.05
mp-1087238
-8.220904
-5.419684
3.22063
other
Y2Cu4Sn4
10
129
206.07
mp-27689
4.399117
0.044523
-2.506602
other
P2H8Br2
12
129
157.67
mp-20000
-7.753445
-4.205328
3.217225
other
Nd2Ni4Sn4
10
129
197.34
mp-20815
8.685849
1.811868
1.064839
other
Sn2Pb2F8
12
129
211.55
mp-1078567
-6.52839
-5.012983
0.713267
other
Sr2Bi4Pd4
10
129
256.17
mp-1018660
-5.465014
-3.108598
5.874959
other
Ce2Co2Si2
6
129
110.83
mp-505502
-5.783365
-1.671328
1.431391
other
Ce2P4Rh4
10
129
163
mp-1078519
-6.198682
-4.62994
0.737043
other
La2Sb4Pd2
8
129
208.4
mp-1079103
-5.910511
-4.847318
0.886107
other
La2Cu2Sb4
8
129
200.63
mp-973585
10.747594
8.065972
2.630651
other
Lu2I2O2
6
129
137.68
mp-1018814
-5.725973
-3.959757
-1.140821
other
Nd2Sb2Te2
6
129
181.01
mp-1080696
-7.81767
-4.93063
3.551851
other
U2Cu4Sn4
10
129
203.89
mp-1095046
-8.030203
-2.850377
4.502205
other
La2Ge4Ir4
10
129
187.2
mp-20422
-4.031156
-3.660367
0.75645
other
K2Mn2P2
6
129
153.02
mp-613652
1.962087
2.356626
-4.702742
other
Pb2Cl2F2
6
129
160.55
mp-8468
-6.373322
-4.466774
0.724048
other
Sr2Sb4Pd4
10
129
234.61
mp-24423
0.914854
0.593946
-2.753914
other
Sr2H2Br2
6
129
130.99
mp-20235
-6.818941
-2.277066
5.345492
other
Ca2Mn2Ge2
6
129
121.98
mp-675224
-6.119507
-4.938419
0.843068
other
La2Sb4Au2
8
129
217.04
mp-19808
-6.261481
-5.867448
3.842274
other
Eu2Zn4Ge4
10
129
195.9
mp-1078778
-6.362655
-4.393095
0.776147
other
Ce2Sb4Pd4
10
129
228.72
mp-20106
-5.629148
-5.438489
0.856143
other
Li4Nd2Sb4
10
129
235.29
mp-1018652
-5.269424
-6.057515
0.567477
other
K2Cd2Sb2
6
129
194.38
mp-20531
-7.748971
-3.084694
5.458193
other
Nd2Co2Ge2
6
129
120.59
mp-22159
-5.483147
-3.253166
0.750886
other
U2Ni2As4
8
129
145.39
mp-19860
-6.044241
-3.487659
4.366308
other
Ce2Ti2Ge2
6
129
129.47
mp-22539
-5.952966
-4.07722
0.834263
other
Ce2Ni2Sb4
8
129
186.68
mp-1079033
-6.359138
-2.393048
0.793949
other
Sm2Ni4As4
10
129
162.24
mp-1080800
-6.33522
-1.78855
1.208654
other
Th2Co4As4
10
129
162.26
mp-1087218
-6.37862
-2.342381
0.884049
other
Pr2Ni4As4
10
129
167.24
mp-1080782
6.914229
5.72725
-3.285309
other
Ba2Cl2O6
10
129
186.36
mp-20918
-5.22025
-3.160937
4.797259
other
Er2Ti2Si2
6
129
120.46
mp-21271
-7.204476
-1.859961
5.917017
other
Pr2Mn2Ge2
6
129
131.52
mp-504691
-4.648919
-2.948477
1.131035
other
Li2Mn2P2
6
129
83.8
mp-20721
-5.243273
-3.822147
-0.345558
other
Np2Te2As2
6
129
153.96
mp-972408
-5.709065
-4.016212
0.884831
other
U2Bi2Te2
6
129
186.19
mp-1078736
-6.168897
-3.561237
0.888627
other
Pr2Ni4Sb4
10
129
199.17
mp-989197
8.828669
2.210753
0.883956
other
Ge2Cl2F2
6
129
103.26
mp-1246323
1.322604
1.811695
2.376033
other
Nb2Se2N2
6
129
86.02
mp-1245615
1.437828
1.967769
2.236695
other
Nb2Te2N2
6
129
122.64
mp-1018653
-5.390711
-7.161568
3.137865
other
Ba2Mg2Pb2
6
129
220.94
mp-20779
-5.628248
-5.270429
0.893662
other
Li4Ce2Sb4
10
129
236.76
mp-976277
-6.480249
-4.851214
0.792421
other
Nd2Ni4Bi4
10
129
223.82
mp-1079761
-6.306626
-3.449213
0.861215
other
Ho2Ni4Sb4
10
129
195.51
mp-1120787
-5.278241
-2.716479
-1.160452
other
Zr2Te2Se2
6
129
154.4
mp-1078722
-6.308545
-3.539256
0.921191
other
Eu2As4Pt4
10
129
202.87
mp-1245990
1.702275
1.89495
2.355455
other
Ta2S2N2
6
129
77.97
mp-1078742
-7.805035
-2.853706
4.629885
other
U2Ge4Ir4
10
129
179.86
mp-755336
10.546163
7.999022
2.492257
other
Nd2I2O2
6
129
157.83
mp-23019
1.711372
1.677268
2.234993
other
U2N2Cl2
6
129
111.5
mp-2647027
-4.587336
-3.085754
-3.909814
other
Bi4Se4O2
10
129
248.53
mp-601693
7.44207
8.409055
-2.071889
other
Yb2Br2O2
6
129
123.95
mp-989194
0.155487
1.722343
-4.756814
other
Sn2Br2Cl2
6
129
211.52
mp-1095071
-8.34415
-4.902445
3.43853
other
Ce2Ga4Pd4
10
129
192.34
mp-1247092
0.21309
2.293444
2.18149
other
Re2Sb2N2
6
129
101.22
mp-754112
10.93811
8.398027
2.769197
other
Ce2Br2O2
6
129
130.93
mp-754217
10.584536
7.952161
2.517776
other
Sm2I2O2
6
129
152.72
mp-7486
-3.612771
-1.614951
-5.12742
other
Ba2Ni2S4
8
129
175.36