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-571265
-0.406514
0.743313
-4.110434
other
Rb4U2Br12
18
128
674.16
mp-1189186
-5.085035
-0.297939
3.350763
other
Ta8B8Os4
20
128
241.31
mp-21751
-4.50528
-1.332004
-3.113364
other
Nb12In4Se48
64
128
1,672.28
mp-505681
-5.51394
-2.793837
5.910376
other
Sm8Si20Ru12
40
128
695.79
mp-505720
-3.796758
1.707585
2.997709
other
Ho8Ni2B28
38
128
385.85
mp-1202868
-5.634756
-2.406719
5.072174
other
Np8Re12Si20
40
128
665.3
mp-567325
-1.129287
2.937659
-3.01894
other
Tl8Cr2I12
22
128
865.37
mp-1201729
-3.800935
1.595268
3.016744
other
Y8Ni2B26
36
128
374.88
mp-1208533
-4.328273
-0.967713
-3.162745
other
Ta12Se48I4
64
128
1,809.99
mp-669393
-5.354524
-2.049159
5.571806
other
Dy8Fe12Si20
40
128
577.15
mp-1208159
-1.10185
2.942033
-3.024889
other
Tl8Ge2I12
22
128
888.22
mp-1202390
-3.872776
1.652889
3.041838
other
Ho8Co2B26
36
128
364.65
mp-1200585
-5.36725
-2.051551
5.565585
other
Ho8Fe12Si20
40
128
577.16
mp-22964
9.601729
4.636649
-0.887419
other
Pb2Cl2F2
6
129
122.23
mp-1092301
-8.494117
-5.014809
3.497917
other
La2Ga4Pd4
10
129
196.04
mp-10994
-5.445528
-4.024084
0.575811
other
Tm2Cu2As4
8
129
144.78
mp-505249
-5.70571
-1.639786
0.869886
other
Th2Ni4P4
10
129
148.48
mp-1080533
-5.29394
-4.152905
5.029058
other
U2Si4Au4
10
129
190.75
mp-20791
-5.979895
-1.574739
1.857828
other
Mn2V2As2
6
129
87.07
mp-504701
8.86519
1.691368
1.586098
other
Cs4Ti4F16
24
129
410.44
mp-12876
-4.307526
-3.224482
-0.137615
other
Th2P2S2
6
129
129.96
mp-1029396
1.888868
1.791203
2.140015
other
Sr2Hf2N4
8
129
132.94
mp-20271
-5.964116
-4.870613
0.982145
other
La2Ag2Sb4
8
129
214.59
mp-1077053
-5.477757
-6.143563
0.684876
other
Cs2Mn2Bi2
6
129
225.8
mp-755323
10.480164
8.068778
2.931043
other
Dy2Cl2O2
6
129
102.8
mp-1079703
-6.111712
-4.809499
0.740755
other
Sm2Sb4Au2
8
129
201.12
mp-3274
-7.945931
-2.449731
2.337559
original
Ni2Ge2Pd2
6
129
80.99
mp-1018658
-5.421727
-3.163073
5.665577
other
Ca2Co2Si2
6
129
114.1
mp-1078947
-8.986281
-6.109463
3.159363
other
Nd2Al4Au4
10
129
201.48
mp-21364
-5.423562
-4.029322
0.510793
other
Ho2Cu2As4
8
129
147.32
mp-13963
-4.792164
-3.402909
4.532992
other
Hf2Si2Te2
6
129
135.76
mp-1080702
-5.553595
-5.334586
0.752601
other
Ba2Cu4Sb4
10
129
237.08
mp-1079089
-5.768583
-2.818456
5.73756
other
Dy2Si4Ir4
10
129
161.34
mp-1080173
-8.205957
-5.373888
3.427006
other
Ce2Cu4Sn4
10
129
211.02
mp-557483
4.052954
1.037817
-1.045123
other
Yb2Cl2F2
6
129
99.47
mp-29254
10.498806
7.991432
2.390714
other
Pr2I2O2
6
129
159.77
mp-1096808
-4.585563
-1.591505
-3.36147
other
Ba2Fe2S2
6
129
142.53
mp-30208
-3.706427
-3.89816
0.822251
other
Y2Cu2P4
8
129
134.93
mp-567712
-7.736723
-2.999117
5.388423
other
Pr2Co2Ge2
6
129
123
mp-5919
-6.027993
-3.482168
4.517416
other
Sm2Ti2Ge2
6
129
132.05
mp-5394
8.130632
2.069069
2.754862
other
La2S2F2
6
129
114.13
mp-20478
-5.272474
-3.151573
4.743236
other
Lu2Ti2Si2
6
129
117
mp-978090
-7.85149
-2.746838
5.31452
other
Pr2Ge2Ru2
6
129
129.39
mp-995147
0.469834
1.759917
-4.549039
other
Pb2Br2Cl2
6
129
174.79
mp-2275605
-3.327245
-3.886501
-4.340126
other
Tm2As2S2
6
129
121.22
mp-1246952
2.337184
2.263998
1.50094
other
Ge2Pb2N4
8
129
113.31
mp-1078833
-8.955384
-6.0702
3.233284
other
Tb2Al4Au4
10
129
194.35
mp-1247042
0.324155
2.746814
1.67367
other
Te2Mo2N2
6
129
115.11
mp-1079833
-6.132993
-4.232305
0.797675
other
Sm2Co2Sb4
8
129
184.28
mp-1079392
-5.978051
-3.985564
0.895083
other
Ce2Co2Sb4
8
129
187.78
mp-1077378
-3.802397
-3.98862
0.82229
original
Cs2Mn2P2
6
129
175.53
mp-1226657
-5.321556
-4.153344
0.508069
other
Ce2As4Au2
8
129
169.39
mp-1246092
1.856872
2.316631
1.255476
other
Sb2Se2N2
6
129
137.08
mp-542389
-8.428757
-1.617251
2.762144
other
Dy2Si4Ni20
26
129
302.68
mp-1018828
11.73105
8.812179
2.281619
other
Np2Se2O2
6
129
105.52
mp-542391
-8.360036
-1.633952
2.749082
other
Tm2Si4Ni20
26
129
300.33
mp-1079221
-5.399684
-3.833975
4.794846
other
Th2Si4Pt4
10
129
179.27
mp-2272716
-3.335057
-3.858899
-4.297625
other
Er2As2S2
6
129
123.31
mp-9930
-4.355968
-3.354917
0.104121
other
U2P2Se2
6
129
130.18
mp-20245
-5.544965
-2.088504
5.69714
other
Ce2Fe2Si2
6
129
109.65
mp-21363
-5.302771
-2.223899
5.723975
other
Tb2Fe2Si2
6
129
105.44
mp-1078839
-6.096574
-4.062394
0.80921
other
Pr2Co2Sb4
8
129
191.19
mp-1079119
-6.260922
-3.95401
0.962801
other
La2Fe2Sb4
8
129
195.15
mp-730189
4.266152
2.906953
-3.67967
other
C2Br2N2
6
129
169.74
mp-1078886
-8.820706
-5.970888
3.343768
other
Ce2Al4Au4
10
129
203.66
mp-989190
10.787212
8.293076
2.860617
other
Sc2Br2O2
6
129
113.26
mp-21907
-5.261699
-2.441908
3.436289
other
Nb2Si2As2
6
129
97.85
mp-989191
10.95414
9.658989
-0.176352
other
Sb2O2F2
6
129
87.15
mp-1078516
-3.611834
-1.556939
-5.486006
other
Ba2Cr2S4
8
129
197.53
mp-20759
-6.46464
-6.305433
3.127935
other
Sr2Mn2Sn2
6
129
172.86
mp-1078507
-6.083909
-4.121754
0.764909
other
Nd2Ni2Sb4
8
129
188.8
mp-20913
-3.632622
-3.234791
-1.719604
other
U2Ge2S2
6
129
126.31
mp-7935
-5.396631
-3.756415
0.679688
other
U2Sb2Te2
6
129
175.59
mp-1018798
-7.941542
-5.336206
3.613082
other
Mg2Cu2Ge2
6
129
102.59
mp-978997
-6.498997
-4.841207
0.803717
other
Sm2Ni4Bi4
10
129
218.71
mp-980084
-8.270111
-5.283255
3.348223
other
Th2Cu4Sn4
10
129
208.06
mp-1087475
0.902346
2.014812
2.454611
other
Nb2Cr2N4
8
129
85.17
mp-1079294
-6.020257
-4.675281
0.971114
other
Tm2Cu2Sb4
8
129
177.55
mp-20020
-5.821872
-4.713618
0.772911
other
Nd2Cu2Sb4
8
129
193.01
mp-20532
-6.20253
-4.492343
0.683679
other
Pr2Sb4Pd2
8
129
202.81
mp-22952
10.760524
8.292819
2.947603
other
Ce2Cl2O2
6
129
113.57
mp-24205
0.388211
1.089002
-2.570339
other
Sr2H2I2
6
129
167.4
mp-978695
-5.804798
-0.674396
2.225286
other
Sm2Fe2P2
6
129
108.61
mp-1245707
1.715665
2.060071
0.969919
other
Sb2Te2N2
6
129
152.99
mp-22973
-5.91132
-5.798631
0.592708
other
Na2Mn2Bi2
6
129
159.4
mp-22939
9.47837
8.163105
-0.642971
other
Bi2Cl2O2
6
129
113.59
mp-1092222
-6.243882
-3.970106
0.881173
other
Ho2Ni2Sb4
8
129
175.43
mp-636264
-8.347938
-5.332205
3.226173
other
La2Cu4Sn4
10
129
214.61
mp-1078587
-8.190537
-5.43335
3.222649
other
Lu2Cu4Sn4
10
129
203.11
mp-1080718
-6.316089
-3.469476
0.923026
other
Dy2Ni4Sb4
10
129
192.36
mp-1079028
-6.155454
-4.016748
0.827115
other
Tb2Ni2Sb4
8
129
179.25
mp-505515
-5.571415
-5.194618
0.715002
other
Sr2Cu4Sb4
10
129
224.34
mp-13820
11.594321
7.160691
-1.426651
other
Cd6Si2O10
18
129
234.4
mp-984107
7.882259
6.777389
-2.92342
other
K12I4O20
36
129
630.76
mp-1019361
-5.511304
-4.290147
-0.035471
other
Th2Sb2Te2
6
129
181.72
mp-510574
-5.92946
-3.869819
0.93346
other
U2Sb4Au2
8
129
195.13
mp-20044
-6.290273
-2.370324
0.820588
other
La2Ni4As4
10
129
170.08
mp-1019362
-5.730821
-4.682771
0.314734
other
Th2Bi2Te2
6
129
189.73
mp-1205343
-5.746583
-4.980875
0.709858
other
Ca2Mn2Sb4
8
129
204.14
mp-8453
8.925817
8.771858
0.013804
other
Rb2Na2O2
6
129
106.53