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-3165
-5.112003
-5.841451
0.556032
other
Rb2Mn2Sb2
6
129
197.07
mp-1245524
0.874908
2.287246
1.960714
other
Ca2Cr2N4
8
129
100.23
mp-21194
-7.900245
-2.68236
5.42357
other
Nd2Ge2Ru2
6
129
127.27
mp-1076973
-5.580327
-3.073763
2.1822
other
Ti2Ge2Sb2
6
129
113
mp-1245523
1.938181
1.978633
2.286476
other
Zr2Ge2N4
8
129
122.66
mp-989196
10.838894
9.623508
-0.318664
other
Sb2Cl2O2
6
129
113.78
mp-30152
-5.52044
-3.826532
-0.485434
other
Ce2Sb2Te2
6
129
181.77
mp-1018803
-6.767607
-2.242957
1.276049
other
Mn2Co2Sb2
6
129
98.4
mp-13135
-6.670814
-6.379334
2.931736
original
Eu2Zn4Sn4
10
129
243.84
mp-20629
-5.356682
-3.101057
1.411696
other
U2Co4P4
10
129
147.22
mp-1079698
-6.101768
-4.580516
0.805608
other
Ce2Sb4Au2
8
129
202.51
mp-1079636
-6.153493
-3.986499
0.855961
other
Dy2Ni2Sb4
8
129
177.35
mp-1078315
-6.493717
-5.427204
0.956493
other
Pr2Bi4Au2
8
129
222.83
mp-22485
-5.885755
-4.635553
0.905594
other
Tb2Cu2Sb4
8
129
182.6
mp-8799
-3.77305
-1.930627
-5.184023
other
Rb2Na2S2
6
129
166.64
mp-18142
-6.589661
-2.53628
6.490601
other
Ca4Al40Cr8
52
129
855.62
mp-504687
-5.513779
-3.939584
0.95888
other
U2Sn2Te2
6
129
172.3
mp-1205315
9.778745
8.868325
-0.013102
other
Li2Bi2O4
8
129
110.1
mp-28065
2.146831
2.095591
1.639703
other
Th2N2Cl2
6
129
117.14
mp-979001
-5.432372
-4.328262
0.420606
other
Sm2As4Au2
8
129
169.01
mp-22108
-6.106677
-3.39401
4.398371
other
Ho2Ti2Ge2
6
129
124.21
mp-1080018
-7.568894
-4.18129
3.538399
other
Th2Co4Sn4
10
129
198.57
mp-27985
10.473162
8.223609
2.967278
other
Y2Cl2O2
6
129
100.62
mp-672238
-5.885996
-4.532305
0.885268
other
Ce2Cu2Sb4
8
129
194.04
mp-9562
-5.018267
-4.787738
0.664019
other
Li2Be2As2
6
129
86.08
mp-1179949
10.877553
4.445976
-3.847198
other
Na4H4O4
12
129
125.09
mp-7918
-3.811944
-1.724012
-3.588814
other
Hf2Ge2S2
6
129
103.56
mp-976380
-6.222518
-3.517411
0.829407
other
Nd2Ni4Sb4
10
129
197.42
mp-1079540
-6.441113
-4.492532
0.673357
other
La2Sb4Pd4
10
129
229.58
mp-1078649
-5.991548
-2.515999
0.954834
other
U2Ni4As4
10
129
159.52
mp-21096
-5.215634
-2.645649
5.669516
other
Ca2Mn2Si2
6
129
121.59
mp-510315
-7.976912
-2.849894
4.526079
other
Ce2Ge4Ir4
10
129
182.8
mp-510378
-5.038453
-6.05497
0.524979
other
Cs2Mn2Sb2
6
129
216.37
mp-1079288
-5.892192
-1.685883
1.400489
other
Pr2P4Rh4
10
129
166.62
mp-1019100
-5.33727
-2.225484
5.879766
other
Sm2Fe2Si2
6
129
110.66
mp-23023
10.493552
8.002378
2.539176
other
La2Br2O2
6
129
130.13
mp-1079070
-5.780688
-3.915246
0.979678
other
U2Cu2Sb4
8
129
178.74
mp-672267
-7.907642
-4.287746
2.983228
other
Ce2Sn4Pt4
10
129
227
mp-975666
10.494358
8.018598
2.51659
other
Pr2Br2O2
6
129
128.02
mp-1096995
11.477129
9.142982
3.229572
other
Hf2S2O2
6
129
81.39
mp-20954
-5.20119
-3.302236
4.921602
other
Dy2Ti2Si2
6
129
123.36
mp-610645
-6.23521
-2.447694
0.848575
other
Ce2Ni4As4
10
129
165.63
mp-1072185
-3.684917
-4.277251
-3.78351
other
Pr2As2Se2
6
129
149.08
mp-1079197
-5.771842
-2.816282
5.699144
other
Ho2Si4Ir4
10
129
160.68
mp-29785
-6.155587
-3.085541
1.481356
other
Zr4V12Sb18
34
129
690.74
mp-642660
3.163574
-0.582075
-2.078879
other
Mg4Co2H10
16
129
127.12
mp-1080791
-6.098253
-4.908741
0.904113
other
U2Cu2Bi4
8
129
193.44
mp-1080061
-5.46992
-3.8959
4.705605
other
Dy2Si4Pt4
10
129
170.86
mp-20822
-5.495698
-2.42253
5.938931
other
Tb2Mn2Si2
6
129
111.61
mp-20869
-5.950922
-3.445675
4.459971
other
Gd2Ti2Ge2
6
129
128.69
mp-1078792
-7.781891
-3.836849
3.220968
other
U2Ge4Pt4
10
129
188.08
mp-1095137
-3.232932
0.635156
2.651493
other
U2Fe2C4
8
129
91.81
mp-1018677
-6.385686
-5.280852
2.96553
other
Dy2Sc2Sb2
6
129
153.74
mp-1018673
-6.183661
-0.864567
1.29478
other
Co2P2Pd2
6
129
74.63
mp-1078533
-8.885306
-5.985581
3.050206
other
Th2Al4Au4
10
129
200.9
mp-19953
-5.338356
-3.405911
4.868906
other
Zr2Cu2Si4
8
129
125.32
mp-1077029
-3.716472
-4.280088
-3.849515
other
Sm2As2Se2
6
129
141.7
mp-1018802
-7.071999
-1.302387
4.92484
other
Mn2Ga2Ge2
6
129
92.04
mp-1091374
0.543733
2.106078
2.350858
other
Nb2Cr2N4
8
129
85.63
mp-542132
-5.436291
-4.229265
0.675269
other
Yb2Cu2As4
8
129
155.66
mp-8654
-5.666787
-2.860882
5.935117
other
Pr2Si2Ru2
6
129
125.89
mp-1087498
-6.248602
-2.484673
1.164005
other
Ce2As4Rh4
10
129
182.24
mp-556382
8.287833
1.759144
1.789351
other
Eu2Cl2F2
6
129
116.38
mp-20756
-5.964458
-3.5298
4.449021
other
La2Ti2Ge2
6
129
143.23
mp-1079572
-6.099198
-4.137239
0.80922
other
La2Ni2Sb4
8
129
197.11
mp-1029446
2.35602
2.124384
1.637011
other
Ca2Ge2N4
8
129
103.57
mp-31209
-5.466497
-5.314002
4.05288
other
Ca2Be4Ge4
10
129
160.54
mp-753712
10.762768
7.994105
2.487797
other
Y2I2O2
6
129
147.21
mp-1080183
-5.732923
-1.738696
1.328534
original
La2P4Rh4
10
129
169.45
mp-29327
10.463003
8.08932
2.598191
other
Sm2Br2O2
6
129
128.15
mp-2236644
10.816385
11.743908
-4.012484
other
Nb2V2O10
14
129
199.89
mp-1018737
-3.293785
-4.472656
0.598181
other
K2Mg2P2
6
129
149.26
mp-5031
-5.310398
-2.332435
3.415762
other
Ta2Si2As2
6
129
96.66
mp-23058
10.446742
8.100255
2.774464
other
Nd2Cl2O2
6
129
111.3
mp-30729
-8.372215
-5.706183
5.10248
other
Ho20In40Ni18
78
129
1,605.96
mp-1078349
-7.045774
-5.582979
3.26294
original
La4Bi2N2
8
129
223.45
mp-1079414
-6.33585
-3.40993
0.910974
other
Er2Ni4Sb4
10
129
193.34
mp-1079311
-5.750708
-1.73675
1.336591
other
Nd2P4Rh4
10
129
164.96
mp-8136
11.227844
8.034502
2.88226
other
Th2S2O2
6
129
107.02
mp-21433
-5.999353
-3.380604
4.419333
original
Tb2Ti2Ge2
6
129
126.81
mp-20354
-7.258214
-1.675829
5.28936
other
Mg2Mn2Ge2
6
129
105.18
mp-1079261
-5.922996
-4.641979
0.920583
other
Er2Cu2Sb4
8
129
178.49
mp-4824
-3.293453
-4.299176
0.70853
other
Na2Zn2P2
6
129
110.97
mp-1178350
10.635677
8.146214
3.104492
other
Er2Cl2O2
6
129
100.6
mp-1086667
-2.742133
0.573939
2.156435
other
Sc2Ni2C4
8
129
82.53
mp-1245547
0.525275
2.630971
1.793496
other
Cr2Te2N2
6
129
106.23
mp-1079250
-6.092784
-4.155495
0.760627
other
Sm2Ni2Sb4
8
129
183.91
mp-20127
-4.653704
-3.226466
-1.00603
other
Np2As2Se2
6
129
138.48
mp-1247467
1.847844
2.021302
2.074231
other
Hf2Pb2N4
8
129
131.62
mp-23856
10.931769
4.017999
-3.931754
other
Li2H2O2
6
129
52.05
mp-1080767
-6.605727
-5.02696
0.689523
other
Eu2Bi4Pd4
10
129
251.71
mp-1079406
-8.094162
-5.324618
2.641985
other
Eu2Sn4Pd4
10
129
228.3
mp-1018818
-5.589132
-3.718325
-1.423998
other
Nd2Te2Cl2
6
129
164.89
mp-1079347
-6.310074
-2.476719
1.13325
other
La2As4Rh4
10
129
186.47
mp-9463
-5.668604
-3.53282
2.144999
other
Zr2Ge2Sb2
6
129
127.28
mp-1188916
8.428276
7.985361
-4.715211
other
V2P2O14
18
129
291.39
mp-4374
-4.81654
-3.309701
-0.117849
other
U2As2S2
6
129
127.8
mp-559911
-3.989478
0.24132
-4.734892
other
V8S18Br8
34
129
868.91
mp-1079278
-8.588631
-6.003774
3.11437
other
Sr2Al4Au4
10
129
212.27
mp-504900
-6.478058
-4.474983
0.777419
other
Eu2Sb4Pd4
10
129
229.68