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-1097725
6.488435
8.007411
-2.504349
other
Li1O2
3
225
24.87
mp-1187035
-5.978127
-5.928922
1.971879
other
Sn3P1
4
225
99.15
mp-1014264
0.594177
2.616824
1.969369
other
Cr1N2
3
225
26.24
mp-978289
-7.755103
-9.613075
6.136304
other
Mg3Np1
4
225
98.43
mp-1876
-3.685477
-1.685744
-5.62282
other
Sn1S1
2
225
49.05
mp-1183533
-5.099028
-7.101388
4.250048
other
Ca3U1
4
225
149.59
mp-1038832
-7.305964
-10.75061
4.963767
other
Mg12Cd4
16
225
340.75
mp-1265
17.598019
9.908421
7.137126
other
Mg1O1
2
225
18.44
mp-1009652
-6.943904
-1.012025
3.049599
other
Rh1C1
2
225
20.66
mp-1084
-3.543308
1.759885
2.806097
other
Zr1B12
13
225
101.08
mp-973535
-3.835026
-7.240667
2.263309
other
K3Sc1
4
225
216.67
mp-23171
-6.745385
-5.734464
2.918026
other
Pr1Bi1
2
225
70.68
mp-1009488
0.603616
2.690643
1.533842
other
Ni1N1
2
225
16.74
mp-1184880
-3.865715
-7.0969
2.575267
other
K3Hf1
4
225
193.73
mp-1186327
-5.520927
-3.876583
3.854393
other
Nd1Ta3
4
225
83.41
mp-32939
11.323568
12.34508
-0.227702
other
Fe7O8
15
225
163.17
mp-1079855
-8.298534
-4.153001
1.965449
other
Li1Pd7
8
225
117.34
mp-1187697
-6.492994
-0.613784
3.666351
other
V3Fe1
4
225
48.73
mp-1008734
2.841027
-0.379785
-1.751036
other
Th1H2
3
225
41.34
mp-998986
-5.216165
-2.979085
4.034118
other
Ti3Si1
4
225
62.18
mp-1187821
-8.055588
-6.840228
2.607198
other
Yb1Ag3
4
225
83
mp-1104127
-3.421763
1.793427
2.793481
other
Ni1B12
13
225
101.62
mp-1007975
-8.198084
-1.070694
2.782326
other
Cr1Ni3
4
225
44.76
mp-1009548
0.720494
2.368409
1.602632
other
Pd1N1
2
225
21.92
mp-1186352
12.022882
9.890148
0.614379
other
Os3O1
4
225
52.98
mp-1785
-6.126579
-4.953158
1.646177
other
Pr1Sb1
2
225
67.34
mp-1355
-7.34509
-0.983726
4.939342
other
Y6Mn23
29
225
441.61
mp-31222
-7.296109
-1.036673
4.881575
other
Th6Mn23
29
225
449.1
mp-18905
12.475656
10.986227
-0.011453
other
Fe2O2
4
225
38.72
mp-1185982
-6.153936
-7.1582
2.151516
other
Mg1Tl3
4
225
114.89
mp-862559
-8.099782
-7.026963
4.116006
other
La1Cd3
4
225
100.26
mp-2491
-3.269201
-4.108884
-2.977851
other
Er1Se1
2
225
45.69
mp-10149
-5.805167
-5.678151
0.745467
other
In1Sb1
2
225
58.07
mp-1187955
-5.869577
-7.361901
4.78943
other
Yb3Pr1
4
225
151
mp-1184884
-3.879081
-7.180246
2.424373
other
K3Dy1
4
225
229.1
mp-1184584
-8.414772
-5.87291
2.000169
other
Ge1Au3
4
225
71.31
mp-1738
-5.526431
-4.191697
0.368689
other
Sm1As1
2
225
52.72
mp-1179679
-3.607659
-4.541657
0.862187
other
Rb1P1
2
225
87.95
mp-979942
-5.93532
-7.228594
4.347419
other
Yb3V1
4
225
122.95
mp-22672
-2.306474
0.152741
2.424603
other
Ce1C1
2
225
34.99
mp-1184605
-6.78253
-7.595914
1.634551
other
Hg3Cl1
4
225
107.56
mp-24201
3.20386
-0.035246
-2.17467
other
H2S1
3
225
24.19
mp-1186848
-4.12647
-6.953753
1.661172
other
Rb3In1
4
225
228.8
mp-1184071
-5.579211
-3.884181
3.762118
other
Dy1Ta3
4
225
81.24
mp-2765
-5.829384
-4.238901
3.934264
other
Pu1B1
2
225
34.37
mp-1432
-3.89118
0.443488
3.374558
other
Be2B1
3
225
23.92
mp-1186089
-5.091526
-7.513128
3.334461
other
Na3Yb1
4
225
153.63
mp-862736
-8.451109
-7.030311
3.246695
other
Sm1Ag3
4
225
84.38
mp-1183236
-6.022868
-7.283457
4.588634
other
Ac1Yb3
4
225
163.31
mp-977390
-5.984612
-2.165705
3.949541
other
Ta3Ru1
4
225
66.67
mp-22319
-3.696568
1.771946
2.933547
other
U1B12
13
225
102.89
mp-22095
-8.068714
-4.125291
3.3761
other
Ga2Pt1
3
225
52.29
mp-973149
-7.096433
-0.914538
4.208352
other
Mn3Al1
4
225
46.69
mp-24420
3.043656
0.087538
-2.124682
other
H2Se1
3
225
29.46
mp-1186039
-5.037789
-7.540317
3.221892
other
Na3Eu1
4
225
161.5
mp-1245924
-3.53901
1.790638
2.830253
other
Ti1B12
13
225
99.35
mp-1183486
-5.121751
-7.32456
3.85609
other
Ca3Ac1
4
225
174.8
mp-973778
-7.049141
-7.186655
1.720154
other
Hg3F1
4
225
86.66
mp-1000
-5.646862
-4.162827
-1.371347
other
Ba1Te1
2
225
89.09
mp-342
-5.711214
-4.023289
-1.117917
original
Sm1Te1
2
225
62
mp-972082
-5.871843
-7.115379
2.251883
other
Tl3Si1
4
225
109.95
mp-1513
-5.665651
-0.987248
-3.792253
other
Co9S8
17
225
229.36
mp-1184667
-6.618509
-3.90892
3.192861
other
Ge3Ir1
4
225
65.96
mp-1186194
-5.21442
-4.663596
4.231528
other
Np3B1
4
225
60.97
mp-975390
-4.658211
-7.368165
3.469661
other
Rb1Ca3
4
225
198.68
mp-1183594
-5.516087
-7.452984
4.266001
other
Ca1Yb3
4
225
157.34
mp-1194521
-7.936523
-7.067593
3.807608
other
Th6Cd23
29
225
690.99
mp-24153
2.965317
-0.379286
-1.869651
other
La1H2
3
225
45.24
mp-2191
-6.514016
-5.179289
2.614889
other
Er1Sb1
2
225
57.89
mp-971826
-6.157593
-7.206012
1.81246
other
Tl3H1
4
225
104.42
mp-22922
1.26792
2.345266
-5.568856
other
Ag1Cl1
2
225
42.63
mp-1186872
-3.860564
-7.125904
1.997205
other
Rb3Tb1
4
225
270.67
mp-1103888
-3.493626
1.886373
2.867524
other
Yb1B12
13
225
105.5
mp-1352
1.068172
1.439254
2.73156
other
Zr1N1
2
225
24.15
mp-1210743
-5.471977
-6.559148
3.319796
other
Li2C1
3
225
34.98
mp-1183184
-5.703432
-2.243675
1.490387
other
As3W1
4
225
67.5
mp-14549
7.66163
11.179858
-1.004091
other
Cu1O1
2
225
18.96
mp-1183707
-6.174576
-0.496672
3.396682
other
Co1Mo3
4
225
58.22
mp-975028
-4.214485
-6.962739
1.647073
other
Rb3Cd1
4
225
250.15
mp-1184893
-4.033413
-7.165001
1.939461
other
K3Na1
4
225
261.06
mp-1186024
-5.363902
-7.306235
2.965711
original
Na3Cd1
4
225
116.48
mp-2546
-2.667651
0.02063
2.742244
other
Np1C1
2
225
30.44
mp-549
-5.956713
-4.690382
1.532075
original
Sc1Sb1
2
225
51.12
mp-1183465
-6.339227
-5.680576
0.729383
other
Bi3Pb1
4
225
125.97
mp-1183330
-4.688788
-7.356197
3.450886
other
Ba3Sr1
4
225
251.93
mp-1009489
-5.975736
-3.7135
-1.817931
other
Rb1Te1
2
225
104.46
mp-1005850
-5.683142
-7.019595
4.24313
other
Yb3U1
4
225
142.45
mp-2390
-3.910154
-4.496995
0.962806
other
Yb1P1
2
225
48.78
mp-1194271
-8.778299
-1.489979
2.991902
other
Zr6Ni23
29
225
373.03
mp-2018
-7.290732
0.217953
4.127066
other
Al1Fe3
4
225
48.13
mp-1094603
-7.057215
-11.018339
5.54977
other
Li4Mg12
16
225
338.23
mp-570354
-0.459147
1.345522
-4.541876
other
Cu1Br1
2
225
38.62
mp-22879
-6.314979
-4.552899
1.95077
other
Pu1Bi1
2
225
67.06
mp-2052
-5.370871
-4.150015
0.577523
other
Sc1As1
2
225
41.19
mp-1006112
-5.11642
-7.194607
2.97637
other
Na3Co1
4
225
98.49
mp-2352
9.329106
9.271985
0.194338
other
Na2O1
3
225
41.25
mp-570442
-7.786599
-9.877336
6.478514
other
Th6Mg23
29
225
727.66
mp-977434
-5.940121
-2.315461
3.705535
other
Nb3Ru1
4
225
67.51
mp-974933
-4.006114
-7.265993
1.908581
other
Rb3Mo1
4
225
233.73
mp-1502
-7.963939
-3.70445
3.751232
other
Al2Pt1
3
225
51.3