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-754969
10.657154
8.1017
2.812514
other
Tm2Br2O2
6
129
120.7
mp-1078363
-6.432555
-5.410667
3.61824
other
Ce4Bi2N2
8
129
209.7
mp-505005
-5.618779
-2.739173
5.610476
other
Ce2Si2Os2
6
129
123.31
mp-21847
-5.006546
-4.808478
0.494859
other
K2Mn2As2
6
129
152.42
mp-510280
-5.919699
-4.607932
0.986262
other
Ce2Ag2Sb4
8
129
207.18
mp-753594
7.920121
2.585416
1.026714
other
Bi2O2F2
6
129
90.5
mp-23861
1.010041
1.112743
-3.588205
other
Ba2H2Cl2
6
129
142.1
mp-1078805
-6.177792
-4.520077
0.670556
other
Sm2Sb4Pd2
8
129
194.65
mp-1247523
1.318614
1.888418
2.539592
other
Ta2Se2N2
6
129
84.88
mp-1018736
-4.76768
-5.477933
0.438389
other
K2Cd2As2
6
129
165.82
mp-1019138
-5.749903
-3.887743
-1.136284
other
Sm2Sb2Te2
6
129
176.4
mp-1080179
-6.449409
-4.848957
0.783865
other
Pr2Ni4Bi4
10
129
223.97
mp-16236
-4.803468
-3.021412
-3.996814
other
K2Ag2Se2
6
129
157.03
mp-753848
7.884885
11.29565
-0.508903
other
Li2Cu6O6
14
129
143.93
mp-1078717
-7.737799
-4.32666
3.207675
other
La2Ni4Sn4
10
129
203.22
mp-8539
-3.547071
-4.618833
0.707349
other
Sr2Sn2P2
6
129
172.41
mp-1018797
-6.04011
-5.512578
0.862418
other
Mg2Ag2Sb2
6
129
131.87
mp-29622
-5.955052
-6.874004
2.700032
other
Ba4Mg8Sn8
20
129
589.47
mp-1080116
-5.82277
-4.745262
0.770842
other
Sm2Cu2Sb4
8
129
188.5
mp-1246457
1.697402
1.868308
2.25983
other
Nb2S2N2
6
129
79
mp-1203477
-8.268372
-4.322859
2.127221
other
Ce4Si2Pd28
34
129
569.91
mp-4233
-5.244523
-5.707657
0.569946
other
K2Mn2Sb2
6
129
180.92
mp-4997
-3.86371
-1.646067
-3.742402
other
Zr2Ge2S2
6
129
106.88
mp-1079824
-5.830892
-0.807252
1.372098
other
Th2Co4P4
10
129
146.69
mp-1246330
1.629522
2.017104
2.391882
other
Ta2Te2N2
6
129
122.99
mp-1095192
-6.239395
-4.385846
0.793625
other
Tb2Sb4Pd2
8
129
191.6
mp-1147715
-3.646876
-1.768375
-5.588102
other
Ba2Cu2S4
8
129
182.81
mp-1095072
-6.02897
-1.862503
1.465539
other
Sm2P4Ir4
10
129
163.99
mp-8231
11.533529
9.224748
3.001252
other
Zr2S2O2
6
129
82.36
mp-1246102
1.961575
1.897859
2.115994
other
Zr2In2N4
8
129
127.6
mp-989195
10.771793
8.316326
3.005909
other
Sc2Cl2O2
6
129
101.48
mp-1018811
-5.676523
-2.826686
2.135682
other
Nb2Ge2Sb2
6
129
115.22
mp-1079355
-6.418285
-2.386388
1.215955
other
Nd2As4Rh4
10
129
181.8
mp-4495
-5.918183
-3.582456
-2.221511
other
K2Li2Te2
6
129
180.19
mp-1018808
-7.77982
-1.84708
4.656633
other
Mg2Co2Ge2
6
129
90.99
mp-20189
-6.377279
-5.389169
4.027102
other
Sr2Mn2Ge2
6
129
146.82
mp-638018
-4.817082
-3.622331
1.383099
other
U2Ge2S2
6
129
124.63
mp-1084815
-5.39124
-3.909425
4.734588
other
Nd2Si4Pt4
10
129
178.12
mp-1079648
-7.848707
-3.08296
4.294955
other
U2Ge4Rh4
10
129
179.96
mp-1246608
1.01234
1.963295
1.470482
other
Sr2Ir2N4
8
129
121.55
mp-1079356
0.801717
2.288457
2.089311
other
Nb2Cr2N6
10
129
113.24
mp-1080144
-7.768626
-4.169675
3.168324
other
Sm2Ni4Sn4
10
129
194.3
mp-1071360
-4.466576
-1.322821
-3.527106
other
Fe2Se2N2
6
129
88.76
mp-1080606
-5.274142
-3.905444
4.756134
other
La2Si4Pt4
10
129
182.98
mp-1206859
10.61382
8.064893
2.713535
other
Er2Br2O2
6
129
122.27
mp-1180068
-6.135861
-4.585608
0.786577
other
Nd2Sb4Pd2
8
129
207.15
mp-1087538
-5.685578
-2.841021
5.778744
other
Sm2Si4Ir4
10
129
169.48
mp-1080037
-5.807854
-2.79131
5.800561
other
Th2Si4Ir4
10
129
173.8
mp-24422
1.356496
0.530692
-2.784163
other
Ca2H2Br2
6
129
121.9
mp-1193970
7.209435
8.557667
-1.777812
other
Na14I4O10
28
129
618.48
mp-1095149
-6.253844
-5.583696
1.289104
other
Li2La2Bi4
8
129
228.91
mp-12621
8.497211
2.13186
2.181983
other
Nd2Te2F2
6
129
135.94
mp-1179844
-6.109945
-4.59626
0.776994
other
Pr2Sb4Pd2
8
129
211.1
mp-754516
-5.790562
-1.501365
0.935268
other
Li2Ni2P2
6
129
81.02
mp-8430
-3.603371
-1.78809
-5.534329
other
K2Li2S2
6
129
129.06
mp-23862
0.518996
0.999543
-2.27825
other
Ba2H2I2
6
129
177.91
mp-29842
8.546412
1.700034
-0.271944
other
Cs2Re2F16
20
129
310.67
mp-15691
-4.54079
-2.885561
-0.900524
other
Np2As2S2
6
129
128.41
mp-772222
10.632642
8.029562
3.063197
other
Tm2Cl2O2
6
129
99.14
mp-10991
-5.41081
-4.040623
0.563589
other
Y2Cu2As4
8
129
149.68
mp-1077588
-6.360803
-2.298423
2.057468
other
Si2Ni2Sb2
6
129
112.02
mp-980110
-7.745139
-4.258704
3.286092
other
Th2Ni4Sn4
10
129
197.11
mp-13964
-5.461031
-2.568521
-1.270363
other
Hf2Ge2Te2
6
129
141.38
mp-4888
14.179798
6.455313
-6.601642
other
Nb2P2O10
14
129
178.74
mp-19959
-6.126112
-3.377392
4.312497
other
Lu2Ti2Ge2
6
129
119.39
mp-10932
8.111606
2.237668
2.743023
other
Er2S2F2
6
129
93.69
mp-27982
11.730939
8.961215
2.717291
other
Pu2Br2O2
6
129
128.81
mp-1080646
-5.413264
-3.891204
4.734229
other
Y2Si4Pt4
10
129
171.45
mp-23432
7.934676
2.013436
1.009483
other
Ba2Cl2F2
6
129
142.14
mp-20639
-5.569853
-6.186665
3.510943
other
Ba2Mn2Ge2
6
129
182.48
mp-1080568
-6.069984
-4.064423
0.792086
other
Pr2Ni2Sb4
8
129
191.72
mp-2647012
-5.582051
-4.308395
-1.266747
other
Bi4Te4O2
10
129
291.79
mp-6948
9.141082
8.916857
0.203172
other
K2Na2O2
6
129
96.9
mp-1080779
-7.169575
-5.823459
3.8729
other
Y2Zn2Sn4
8
129
186.16
mp-23024
7.691022
2.242723
0.896963
other
Sr2Br2F2
6
129
131.7
mp-1245466
0.698783
2.846904
1.657299
other
Cr2Bi2N4
8
129
135.31
mp-2272172
-3.680273
-4.289884
-3.756993
other
Ho2As2Se2
6
129
133.84
mp-21399
-7.192899
-1.779634
5.787861
other
Ce2Mn2Ge2
6
129
119.01
mp-30274
10.076333
8.043611
1.548718
other
Ac2Br2O2
6
129
140.14
mp-1019109
-7.834043
-2.713556
5.370712
other
Sm2Ge2Ru2
6
129
123.86
mp-615314
-2.787813
0.717537
2.402663
other
Sc2Co2C4
8
129
80.25
mp-1079211
-5.971769
-1.890257
1.520733
other
Ce2P4Ir4
10
129
165.74
mp-20970
-5.526465
-5.107189
0.649007
other
Na2Mn2Sb2
6
129
146.88
mp-20333
-5.496087
-2.443997
5.957712
other
Pr2Mn2Si2
6
129
121.41
mp-1080469
-7.331607
-3.834593
4.350521
other
Hf2Cu2Ge4
8
129
128.63
mp-10322
1.939782
1.839092
2.010751
other
Ba2Hf2N4
8
129
143.92
mp-22758
-5.943755
-2.850295
5.680643
other
U2Si4Ir4
10
129
167.84
mp-755480
8.600425
8.511723
0.008203
other
K2Rb2O2
6
129
154.51
mp-5760
8.125712
2.171397
2.703984
other
Nd2S2F2
6
129
107.69
mp-5541
-5.640643
-2.318922
4.371228
other
Zr2V2Si2
6
129
97.96
mp-773137
-5.231934
-6.335718
0.996961
other
K2Ca2Bi2
6
129
247.1
mp-614918
10.16602
8.511397
2.627558
other
Y2Cl2O2
6
129
107.56
mp-505019
-6.031773
-3.466386
1.070428
other
U2Sb4Ru2
8
129
183.32
mp-9845
-4.504765
-5.664248
0.587978
other
Rb2Ca2As2
6
129
210.88
mp-1275975
13.179379
11.667783
-0.040501
other
Li2V6O8
16
129
159.13
mp-19902
-5.267386
-3.636461
0.777592
other
U2Cu2As4
8
129
149.07
mp-2278159
-3.1891
-3.818406
-4.375899
other
Ho2As2S2
6
129
123.86
mp-3931
8.192447
2.235372
2.717479
other
Sm2S2F2
6
129
103.41
mp-22433
-6.091884
-2.84652
5.558407
other
Np2Si4Ir4
10
129
167.53
mp-1079967
-6.305052
-4.616777
0.726978
other
Ba2Sb4Pd4
10
129
246.31