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-1079613
-8.068694
-2.792258
4.486744
other
Sm2Ge4Ir4
10
129
180.72
mp-19794
-3.714621
-4.53687
0.595399
other
Eu2Sn2P2
6
129
160.08
mp-20553
-5.405597
-2.623772
5.877591
other
Gd2Mn2Si2
6
129
118.26
mp-7915
12.497986
9.224162
1.764074
other
Zr2Si2O2
6
129
81.03
mp-29797
10.35973
8.117157
2.624853
other
Gd2Br2O2
6
129
128.73
mp-10965
-6.029592
-4.671276
1.103947
other
Dy2Ag2Sb4
8
129
195.54
mp-754515
-5.433818
-6.569357
3.61888
other
Ba2Mg2Ge2
6
129
173.31
mp-1079721
-5.57013
-5.37199
0.681343
other
Sr2Mn2Sb4
8
129
228.66
mp-22532
-5.139291
-3.293608
4.949592
other
Tb2Ti2Si2
6
129
124.8
mp-1199794
-8.387897
-5.745599
5.135832
other
Tm20In40Ni18
78
129
1,620.64
mp-23008
9.90489
6.985682
-1.344391
other
Pb2Br2F2
6
129
134.2
mp-1006321
-5.796504
-4.723374
0.898345
other
Ce2Cu4Sb4
10
129
220.85
mp-27762
1.680377
1.696624
2.313482
other
U2Br2N2
6
129
130.85
mp-9846
-4.88995
-6.143903
0.714504
other
Rb2Ca2Sb2
6
129
247.7
mp-1078514
-5.485213
-1.677119
1.650682
other
Zr2Ni2P4
8
129
115.57
mp-608254
8.676319
2.5106
2.272505
other
Sm2Cl2F2
6
129
119.08
mp-27984
10.451423
8.123456
2.638197
other
Pr2Cl2O2
6
129
113.96
mp-21284
-5.649609
-3.660614
0.9409
other
Li2Mn2As2
6
129
94.41
mp-611153
-6.102571
-5.705045
0.721719
other
Ca4Mn4Bi8
16
129
449.57
mp-638690
-7.983206
-6.379243
5.447283
other
Li8Y20In36
64
129
1,568.99
mp-2647002
-5.913077
-5.985764
0.626385
other
Na2Zn2Bi2
6
129
162.06
mp-1246924
2.311268
2.233019
1.20333
other
Sn2Pb2N4
8
129
134.43
mp-3718
11.605476
8.218442
3.021817
other
Th2Te2O2
6
129
133.15
mp-2277564
-3.134188
-3.75351
-4.493445
other
Sm2As2S2
6
129
132.6
mp-19737
-5.32969
-2.848046
5.915627
original
La2Mn2Si2
6
129
133.11
mp-21471
-6.093773
-2.119944
1.179097
other
Li2Fe2As2
6
129
88.71
mp-20452
-6.016929
-7.144537
2.898695
other
Ba2Mg4Pb4
10
129
305.24
mp-22969
8.881795
6.810944
-1.605894
other
Pb2I2F2
6
129
169.73
mp-1079312
-6.108397
-4.747159
0.790877
other
Nd2Sb4Au2
8
129
203.88
mp-1079975
-7.559202
-2.307891
4.97523
other
U2Co4Ge4
10
129
156.52
mp-4450
-4.29954
-3.357164
0.676779
other
U2P2S2
6
129
119.67
mp-1179628
-5.086813
-3.697217
0.739347
other
U2Cu2As4
8
129
157
mp-987178
-4.908501
-4.82021
0.445495
other
Rb2Mn2As2
6
129
196.4
mp-9250
-4.710278
-3.016387
-4.006028
other
Rb2Li2Se2
6
129
159.05
mp-20612
-5.491624
-4.173532
0.530432
other
Na2Mn2As2
6
129
119.6
mp-22595
-4.497612
-3.463354
-0.969797
other
U2As2Se2
6
129
138.53
mp-1079478
-5.969918
-4.700936
0.940913
other
Pr2Ag2Sb4
8
129
209.76
mp-1080531
-8.101398
-2.80614
4.484423
other
Tb2Ge4Ir4
10
129
177.77
mp-571587
1.991396
1.901505
1.081883
other
Na4Li2N2
8
129
102.08
mp-8653
-5.779584
-2.769905
5.623105
other
Ce2Si2Ru2
6
129
122.58
mp-10086
8.147968
2.220895
2.793973
other
Y2S2F2
6
129
97.18
mp-10816
-5.249704
-4.340273
0.457988
other
Nd2Ag2As4
8
129
173.93
mp-2273942
-3.752517
-4.2845
-3.761167
other
Tm2As2Se2
6
129
131
mp-980664
-5.93803
-4.160819
1.04294
other
U2Bi2Sb2
6
129
172.36
mp-1078713
-5.683566
-2.860004
5.706186
other
Tb2Si4Ir4
10
129
162.03
mp-973981
10.591148
8.210071
2.740527
other
Lu2Br2O2
6
129
121.42
mp-24409
4.407617
-0.001068
-2.434669
other
P2H8I2
12
129
188.14
mp-3104
1.953408
1.862618
1.935753
other
Ba2Zr2N4
8
129
147.39
mp-4878
-4.23297
-1.910953
-3.068876
other
Zr2Ge2Se2
6
129
115.73
mp-10931
8.138364
2.286346
2.811269
other
Ho2S2F2
6
129
95.13
mp-23046
8.756225
6.536853
0.674766
other
Sr2I2F2
6
129
164.18
mp-643062
8.775982
1.054627
-4.170274
other
H8I2N2
12
129
166.91
mp-7433
-5.299828
-2.987601
-4.236941
other
Na2Cu2Se2
6
129
111.36
mp-22951
8.567024
6.656831
0.581661
other
Ba2I2F2
6
129
177.12
mp-7263
1.897124
2.021876
1.490741
other
Ca2Ga2N2
6
129
95.78
mp-675103
6.017376
8.59697
-0.088766
other
Sr12Bi4O22
38
129
698.14
mp-20757
-6.62959
-1.394472
5.218661
other
Mn2Al2Ge2
6
129
89.09
mp-20133
0.271465
1.724691
2.522533
other
Nb2Cr2N2
6
129
67.8
mp-1080419
-6.507895
-5.450313
0.98221
other
Sm2Bi4Au2
8
129
218.53
mp-29731
10.435902
8.152293
3.071754
other
Ho2Cl2O2
6
129
99.25
mp-2277007
-3.207375
-3.727119
-4.401706
other
Y2As2S2
6
129
126.08
mp-2277947
-3.200545
-3.740418
-4.46497
other
Dy2As2S2
6
129
125.75
mp-1019363
-5.456779
-4.050788
-0.784353
other
Th2Te2As2
6
129
166.2
mp-1079764
-8.434682
-4.735904
3.798169
other
La2Al4Pd4
10
129
197.01
mp-3263
11.71301
8.331969
2.649636
other
U2S2O2
6
129
99.33
mp-27439
10.749627
7.965141
2.738214
other
Tm2I2O2
6
129
143.68
mp-1078191
-4.557624
-5.940179
1.888172
other
Ba4Te2O2
8
129
263.26
mp-1018654
-5.346869
-6.953432
3.142202
other
Ba2Mg2Sn2
6
129
211.22
mp-1079141
-8.058657
-2.801157
4.511632
other
Pr2Ge4Ir4
10
129
184.6
mp-1087511
-5.448449
-3.026371
0.969022
other
U2Fe2As4
8
129
150.25
mp-25201
8.089129
10.283911
-1.146618
other
Bi2Pd4O8
14
129
216.68
mp-23675
8.830247
1.213429
-4.121614
other
H8Br2N2
12
129
134.12
mp-1095201
-7.020518
-3.55968
4.152019
other
Zr2Cu2Ge4
8
129
131.73
mp-505142
-5.636041
-4.005602
4.715897
other
Np2Si4Pt4
10
129
173.34
mp-1079325
-6.201977
-3.537525
0.812147
other
Sr2As4Pt4
10
129
206.29
mp-989178
8.934207
2.032188
2.27562
other
Sc2O2F2
6
129
68.06
mp-4207
-5.927803
-3.973205
1.028308
other
U2Sb4Pd2
8
129
189.19
mp-20803
-5.359859
-3.669142
0.809644
other
U2Sb2As2
6
129
149.35
mp-1192059
8.537012
2.079921
-0.905543
other
Cr4N4F16
24
129
365.99
mp-19875
-5.727489
-2.794028
5.886957
other
Gd2Si2Ru2
6
129
117.68
mp-23859
1.620538
0.761492
-3.049537
other
Ca2H2Cl2
6
129
100.55
mp-21413
-3.643199
-4.424106
0.696684
other
Rb2Mn2P2
6
129
208.22
mp-1019360
-4.066743
-3.214371
-0.546919
other
Th2P2Se2
6
129
140.62
mp-1078616
-6.04315
-4.542152
0.808078
other
Ce2Sb6Pd2
10
129
270.63
mp-7400
-5.895702
-5.510972
4.489758
other
Na2Al2Ge2
6
129
126.06
mp-1018726
-6.371668
-2.189468
4.201317
other
Hf2V2Ge2
6
129
98.18
mp-504727
8.049248
8.786992
-0.014672
other
Eu2Br2O2
6
129
128.88
mp-1078889
-6.378172
-2.603839
1.385599
other
La2As4Ir4
10
129
187.09
mp-20242
-4.832408
-5.080157
0.46504
other
Rb2Mn2As2
6
129
169.01
mp-3896
-5.676995
-2.840757
5.738313
other
Y2Si4Ir4
10
129
162.94
mp-15844
14.156916
6.035002
-7.088769
other
Ta2P2O10
14
129
171.91
mp-1071036
-6.326389
-5.224139
2.77329
other
Tb2Sc2Sb2
6
129
155.26
mp-1247300
1.914062
2.024847
1.995489
other
Zr2Pb2N4
8
129
135.61
mp-1205313
-5.259157
-4.42149
0.42515
other
Sm2Ag2As4
8
129
169.59
mp-505332
-5.424051
-2.189276
5.759087
other
La2Fe2Si2
6
129
125.25
mp-1078370
-6.493729
-5.24715
1.017657
other
Ce2Bi4Au2
8
129
218.33
mp-23025
10.238066
8.229473
2.798003
other
La2Cl2O2
6
129
117.29
mp-1078982
-5.741023
-4.995846
0.838169
other
Yb2Cu2Sb4
8
129
187.4
mp-756134
11.925856
9.118636
2.7206
other
Zr2Se2O2
6
129
91.98
mp-13162
-7.216483
-5.74504
3.83291
other
Tb2Zn2Sn4
8
129
189.38