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-6088
10.421439
7.691515
3.142783
other
La2Cu2S2O2
8
129
135.84
mp-1216507
-7.602452
-3.139834
4.364186
other
U2Co2Ni2Ge4
10
129
185.18
mp-559470
9.03331
7.51675
-1.852588
other
Ag2Pb2Br2O2
8
129
230.98
mp-1079570
11.370578
7.9096
2.96662
other
Ce2Fe2As2O2
8
129
141.6
mp-16085
-7.966353
0.369143
3.797688
other
Nd6Co58Si8B20
92
129
972.52
mp-768764
8.750886
7.706644
-3.290497
other
Li4Bi2B2O10
18
129
188.29
mp-12515
11.348565
8.020336
2.986052
other
La2Zn2Sb2O2
8
129
174.29
mp-510596
-4.72546
-2.898626
-4.499151
other
Eu2Cu2Se2O2
8
129
145.48
mp-1147624
10.528376
8.869385
-0.306334
other
Bi2C2N2O2
8
129
118.57
mp-16084
-7.943065
0.360163
3.81243
other
Pr6Co58Si8B20
92
129
983.71
mp-555212
9.522335
8.48012
1.563297
other
Ba4In2Br2O6
14
129
292.83
mp-23123
10.960842
11.1331
-3.921311
other
Fe2Mo2Cl2O8
14
129
258.95
mp-1079685
11.197268
8.021148
2.483847
other
La2Ni2P2O2
8
129
133.45
mp-630511
8.137419
11.036739
1.304937
other
Ca4Fe2Cl2O6
14
129
208.23
mp-1078704
-3.889105
1.189729
2.778255
other
Er2Ni2B2C2
8
129
95.13
mp-19370
11.252151
7.951537
2.828363
other
La2Co2P2O2
8
129
131.66
mp-1078693
-5.196684
-5.8614
0.797353
other
Ba2Cd2Sb2F2
8
129
210.46
mp-7060
11.330347
8.0757
2.671182
other
La2Zn2P2O2
8
129
146.63
mp-1188765
8.729112
11.308216
2.010622
other
Ba2Er2Mn4O10
18
129
246.05
mp-1080650
-4.075567
-2.771476
-5.271252
other
Ba2Cu2S2F2
8
129
155.32
mp-975646
11.377224
8.006811
2.908438
other
Pr2Zn2Sb2O2
8
129
171.33
mp-21228
-4.401897
-2.929692
-4.838967
other
Sr2Cu2Se2F2
8
129
149.18
mp-572929
-5.211
-3.679658
0.742694
other
U4Cu4As6O2
16
129
274.74
mp-1079320
-4.912383
-5.174533
0.709726
other
Ba2Zn2As2F2
8
129
177.84
mp-20370
11.854279
8.279381
2.652869
other
U2Cu2P2O2
8
129
116.58
mp-1079603
-3.972193
-5.036668
0.940174
other
Ba2Cd2P2F2
8
129
185.44
mp-13287
-5.340883
-3.97786
-2.695664
other
Ba2Cu2Te2F2
8
129
188.55
mp-1080453
11.086747
7.971478
2.668887
other
Nd2As2Ru2O2
8
129
142.32
mp-18755
11.251456
7.935482
2.884455
other
Nd2Mn2Sb2O2
8
129
176.38
mp-1228321
12.667997
10.320027
2.411094
other
Ba6Zr2Nb10O24
42
129
597.64
mp-630641
7.824715
10.928137
1.350012
other
Sr8Fe4Cl4O12
28
129
456.87
mp-16742
-5.12115
-4.180707
-2.769665
other
Ba2Ag2Te2F2
8
129
206.59
mp-1086652
-3.764586
-2.441118
-5.380574
other
Ba2Ag2S2F2
8
129
174.53
mp-6166
10.231985
7.651559
3.026244
other
Pr2Cu2S2O2
8
129
133.81
mp-1147623
11.185844
10.940289
-3.118462
other
K2La2Mo2O10
16
129
280.94
mp-1079195
-3.463466
-3.927464
1.054718
other
Sr2Mn2P2F2
8
129
159.19
mp-697715
8.260479
0.609515
-4.462918
other
H24Au2C8N2
36
129
336.7
mp-22620
11.552222
8.095164
3.105763
other
Ce2Zn2Sb2O2
8
129
166
mp-6332
12.797677
7.003866
-0.827274
other
Li4Ti2Si2O10
18
129
188.4
mp-22034
11.402499
7.829552
2.95589
other
Pr2Fe2P2O2
8
129
138.12
mp-1210457
-5.867715
-3.484356
-1.798684
other
Na2Ce2Ag2Te8
14
129
405.35
mp-556060
10.599275
9.331705
-1.523418
other
Nd4Te4Br4O12
24
129
430.61
mp-1080723
-6.684664
-3.637365
3.240498
other
Hf2Cu2Ge2As2
8
129
132.31
mp-1078397
-3.13614
-2.513006
-5.418328
other
La2Bi2S4O2
10
129
233.11
mp-1193425
-7.571308
-4.770102
5.025786
other
Sm4Ga18Ni2Ge4
28
129
542.74
mp-612670
-3.94769
1.101295
2.794364
other
Y2Ni2B2C2
8
129
97.22
mp-1078949
-5.264097
-5.742339
0.865365
other
Ba2Mn2Sb2F2
8
129
213.11
mp-556194
-4.296841
-3.136431
-3.85369
other
Sr2Sb2Se4F2
10
129
250.99
mp-1210305
-5.886702
-3.432533
-1.849219
other
Na2Ce2Cu2Te8
14
129
397.22
mp-722329
8.360756
0.664926
-4.432364
other
H24C8I2N2
36
129
383.21
mp-1046617
7.243861
11.380257
1.802426
other
Sr4Mn2S2O6
14
129
234
mp-9304
10.47753
7.725461
3.13189
other
Dy2Cu2Se2O2
8
129
132.61
mp-13182
12.346505
7.669536
-0.894147
other
Li4Ti2Ge2O10
18
129
201.89
mp-21951
-7.937899
0.350137
3.777088
other
Er6Co58Si8B20
92
129
963.7
mp-1078472
-6.793643
-3.590454
3.011181
other
Ti2Cu2Ge2As2
8
129
123.12
mp-6084
-7.972143
0.373159
3.836073
other
La6Co58Si8B20
92
129
987.64
mp-1147567
9.269654
11.954649
1.65394
other
Ca2Ti2Cu2O8
14
129
166.91
mp-557825
8.512423
1.964122
-4.336177
original
H8C2N4O2
16
129
150.92
mp-604496
-5.565114
-2.269777
5.492826
other
Ce2Si2H2Ru2
8
129
126.02
mp-753331
8.485327
12.55145
-0.702302
other
Li2Ni4O4F2
12
129
110.19
mp-556507
8.068792
10.88706
1.33595
other
Sr8Fe4Br4O12
28
129
492.93
mp-552488
10.527738
7.858268
3.157203
other
La2Cu2Se2O2
8
129
146.14
mp-1104533
10.227412
10.275432
3.248952
other
Na2Pr2Ti2O8
14
129
187.01
mp-546790
10.980634
7.985198
2.901357
other
La2Cu2Te2O2
8
129
164.2
mp-10520
10.068182
10.650935
3.243392
other
Li2Nd2Ti2O8
14
129
171.99
mp-542314
10.196891
7.591783
3.234991
other
Nd2Cu2S2O2
8
129
131.46
mp-1080591
10.914213
7.672554
2.452505
other
Ca2Fe2As2F2
8
129
146.44
mp-756743
8.498532
11.163598
-3.182967
other
Li6Cr2Cl2O8
18
129
225.7
mp-23115
6.769438
10.755249
0.906199
other
Sr4Co2Cl2O6
14
129
225.16
mp-16092
-7.86507
0.337891
3.766215
other
Tm6Co58Si8B20
92
129
965
mp-1079500
1.396232
2.278594
1.511513
other
Ca2Ni2B2N2
8
129
95.29
mp-13339
-5.644814
-3.468903
-2.912017
other
Eu2Cu2Te2F2
8
129
164.33
mp-1304562
9.199749
8.195659
-3.080339
other
Li8Fe4Si4O20
36
129
370.3
mp-1078562
-3.826024
-2.453159
-5.408855
other
Sr2Ag2S2F2
8
129
154.12
mp-1214726
8.234093
10.381925
1.387484
other
Ba4Fe2Br2O6
14
129
273.69
mp-18809
12.887938
8.651494
-2.125712
other
Li8V4Ge4O20
36
129
401.21
mp-1227361
9.58728
8.198686
-0.520831
other
Ca2Bi4Br4O6
16
129
349.36
mp-1046652
6.311894
10.910492
0.617191
other
Sr4Fe2S2O6
14
129
232.59
mp-554116
8.32005
1.431405
1.169593
other
Ba2Pb4Br2F10
18
129
360.53
mp-510488
11.255463
7.916479
2.901706
other
Sm2Mn2Sb2O2
8
129
171.29
mp-1222840
-7.984507
-3.962488
3.88374
other
La2Ge4Pd2Rh2
10
129
194.84
mp-20881
1.38496
2.32238
1.702965
other
La2Ni2B2N2
8
129
104.38
mp-1218502
9.433214
8.218344
-0.417126
other
Sr2Bi4Br4O6
16
129
359.87
mp-1078903
-5.473863
-5.578055
0.735652
other
Sr2Zn2Sb2F2
8
129
179.69
mp-6228
12.243031
7.233404
-0.904676
other
Na4Ti2Ge2O10
18
129
236.44
mp-6188
-3.912729
1.145525
2.798292
other
Lu2Ni2B2C2
8
129
92.35
mp-559893
8.587078
10.288567
-0.535951
other
Li2Bi2Pd4O8
16
129
217.98
mp-23116
9.798065
8.585255
-0.522771
other
Cu2Bi2Se2O2
8
129
141.46
mp-755733
10.951348
7.403552
-3.088787
other
Li4Mn2Si2O10
18
129
182.85
mp-1078698
-6.501348
-3.577616
2.952102
other
Zr2Cu2Ge2As2
8
129
133.22
mp-1106241
8.639258
11.345534
2.06922
other
Ba2Tb2Mn4O10
18
129
248.87
mp-549589
11.202738
7.842762
2.886413
other
La2Zn2As2O2
8
129
154.9
mp-1080105
11.022995
8.176525
2.72957
other
Ce2As2Ru2O2
8
129
136.4
mp-19956
9.474302
8.694684
1.839705
other
Ba4In2O6F2
14
129
253.55
mp-22392
8.347398
2.315983
2.566853
other
Sm2Cu2Se2F2
8
129
136.81
mp-1078328
-2.82708
-2.913237
-5.637646
other
La2Bi2S4O2
10
129
235.27
mp-1206363
10.87033
8.688769
0.67628
other
Y1Zn2As1O2
6
123
144.86
mp-1036171
17.187414
9.729124
7.023862
other
Ba1Mg14Mn1O16
32
123
346.79
mp-1222832
-5.501428
-0.81245
1.225086
other
La1Pr1Co4P4
10
123
158.06
mp-1223026
8.663828
10.901896
1.462392
other
La4Ni3Mo1O12
20
123
248.76