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-614603
-1.017847
3.053188
-3.340205
other
Cs1I1
2
225
119.1
mp-1193176
-7.321002
-1.026945
4.880684
other
Lu6Mn23
29
225
415.72
mp-865899
-6.342129
-2.658826
4.160852
other
Ti3Os1
4
225
63.05
mp-865366
-7.704677
-7.022091
3.575526
other
Yb1Cd3
4
225
94.55
mp-1184260
-7.773093
0.324325
3.803864
other
Fe3Cu1
4
225
44.28
mp-1406
-6.140732
-2.790315
-1.829487
other
Mn1Te1
2
225
50.83
mp-1187254
-5.868532
-3.975776
1.627979
other
Ta1Sb3
4
225
93.69
mp-1057979
2.041054
2.567506
-3.947805
other
I1N1
2
225
35.26
mp-11327
-4.236589
-2.574547
-4.267613
other
Rb2Se1
3
225
130.79
mp-1192498
-7.357973
-1.034225
4.915625
other
Tm6Mn23
29
225
421.63
mp-2822
-3.180168
-4.018899
-3.020864
other
Tm1Se1
2
225
45.06
mp-1056860
-5.014919
-6.695268
3.624277
other
Na1B1
2
225
38.66
mp-972752
-3.968537
-4.854095
5.691392
other
Si3As1
4
225
64.85
mp-985806
-8.245676
-4.200547
4.964205
other
Al2Cu1
3
225
47.01
mp-1229090
-4.146269
-1.476715
-5.523774
other
Ag2S1
3
225
60.98
mp-1187949
-6.15232
-6.882087
2.391062
other
Zn1Pb3
4
225
115.3
mp-280
-2.498702
0.099201
2.621116
other
Pu1C1
2
225
31.06
mp-11577
-6.798509
-7.050023
4.274477
other
Yb1Zn1
2
225
56.35
mp-475
-3.362543
-4.124159
0.661763
other
Sn1P1
2
225
42.94
mp-2599
2.321085
1.729896
1.911491
other
Nd1N1
2
225
34.28
mp-974816
-3.890038
-7.104674
2.004987
other
Rb3Sm1
4
225
269.93
mp-1186977
-8.980234
-6.105776
2.649791
other
Sc1Au3
4
225
72.82
mp-1186020
-4.834009
-7.159581
3.367854
other
Na3B1
4
225
86.5
mp-1072204
2.151168
1.947174
1.814198
other
Th1N2
3
225
45.99
mp-2612
-5.62611
-3.39853
-1.987669
other
Ge1Te1
2
225
54.23
mp-1184224
-5.811159
-5.409815
0.593627
other
Ga1Sb3
4
225
103.84
mp-1186650
-5.542783
-3.963201
3.814776
other
Pm1Ta3
4
225
82.85
mp-1008785
8.13485
11.589746
0.368171
other
Ru1O2
3
225
28.65
mp-1207087
8.456398
2.275213
2.097521
other
La1F2
3
225
51.96
mp-1025415
-8.331836
-4.32493
2.126985
other
Ce1Pd7
8
225
129.6
mp-1078138
-7.761343
-10.917786
6.030087
other
Mg6V1
7
225
162.68
mp-981233
-6.612177
-1.287982
4.327391
other
U1Cr3
4
225
56.79
mp-1058019
3.683479
3.522465
-3.590468
other
Br1N1
2
225
29.14
mp-441
-5.789705
-3.809856
-2.021872
other
Rb2Te1
3
225
156.93
mp-1185029
-3.979672
-7.001984
1.93205
other
K3Zn1
4
225
206.8
mp-2132
0.355977
2.144699
2.180813
other
Cr1N1
2
225
18.4
mp-975905
-5.822184
-0.939154
2.867321
other
Mo3I1
4
225
69.62
mp-1565
10.736122
9.877042
4.008668
other
Zr1O2
3
225
32.97
mp-2074
-5.517025
-5.773491
0.549619
other
Li3Sb1
4
225
70.09
mp-2065
-5.147717
-0.722589
-5.176393
other
Mn2S2
4
225
68.93
mp-601
-3.923081
-4.079167
0.832719
original
Pr1P1
2
225
53.01
mp-864613
-8.737718
-5.876398
2.506239
other
Np1Au3
4
225
84.02
mp-976943
-5.484103
-1.41145
4.020905
other
Na1Re3
4
225
61.06
mp-1184254
-8.129951
-4.184505
1.837412
other
Ga1Pd3
4
225
58.97
mp-1187681
-5.570842
-7.357411
4.047205
other
Yb1Eu3
4
225
167.2
mp-30765
-8.032781
-2.739129
2.55278
other
Li1Pt7
8
225
118.65
mp-1186771
-5.43587
-7.388267
4.096427
other
Sr1Yb3
4
225
169.26
mp-2017
-5.649864
-4.02783
0.594141
other
Lu1As1
2
225
45.73
mp-7592
8.568655
1.017748
0.223025
other
Ag1F1
2
225
29.81
mp-1008922
1.439335
2.213451
1.207991
other
Cu1N1
2
225
18.07
mp-867857
2.878493
-0.331297
-1.788633
original
Sm1H3
4
225
37.59
mp-1183491
-5.226654
-7.357034
4.27704
other
Ca3Nd1
4
225
156.05
mp-1039157
-6.493105
-7.75651
2.909678
other
Mg1Cd1
2
225
52.29
mp-19091
12.370748
10.447719
0.636584
other
Cr1O1
2
225
22.05
mp-648
-3.717562
-1.93083
-5.338097
original
Na2S1
3
225
68.6
mp-24147
3.039905
-0.450708
-2.062276
other
Ac1H2
3
225
51.77
mp-1022
-3.633347
-1.859716
-5.251049
other
K2S1
3
225
101.88
mp-519
-5.484197
-3.869722
1.0655
other
U1Sb1
2
225
59.56
mp-2050
-6.473506
-5.237097
2.879643
other
Ho1Sb1
2
225
58.49
mp-1009217
-6.365474
-3.219537
0.681548
other
Mn1Sb1
2
225
43.67
mp-1184433
-5.401396
-7.173475
4.107845
other
Eu3Ta1
4
225
133.02
mp-20300
-3.467544
-4.413076
0.950977
other
Eu1P1
2
225
51.77
mp-627
-3.648546
-3.330394
-2.653405
other
Np1Se1
2
225
50.03
mp-1186907
-5.566247
-3.352387
1.17003
other
Re1As3
4
225
66
mp-1184851
-3.965939
-7.007633
2.070957
other
K3Ga1
4
225
186.35
mp-1186142
-7.345468
-7.639524
1.879817
other
Na1Hg3
4
225
98.14
mp-7381
-7.899666
-9.516432
6.807013
other
Tb1Mg3
4
225
96.84
mp-1394
8.601254
8.596677
-0.171052
other
Rb4O2
6
225
154.62
mp-1007853
-7.911354
0.242774
3.56148
other
Fe3Ni1
4
225
46.43
mp-974611
-6.291687
-6.993683
2.638338
other
Re1Pb3
4
225
99.72
mp-1186603
-7.951158
-9.271464
6.691748
other
Pm1Mg3
4
225
99.91
mp-2692
12.23931
9.166229
1.488137
other
Nb1O1
2
225
22.95
mp-1185022
-3.872299
-7.177121
2.446051
other
K3Ta1
4
225
183.2
mp-1186064
-5.059141
-7.318758
3.00679
other
Na3Os1
4
225
93.13
mp-974732
-3.884225
-7.09176
2.083119
other
Rb3Y1
4
225
266.64
mp-11489
-6.635054
-6.678294
3.224094
other
Li3Pd1
4
225
57.59
mp-974832
-4.40183
-6.89167
1.622489
other
Rb3Pb1
4
225
214.23
mp-1187055
-6.623407
-5.949338
1.888809
other
Sn3Se1
4
225
104.05
mp-1959
11.307386
8.982485
2.886973
other
Pu1O2
3
225
38.68
mp-1039189
-6.358149
-5.945189
5.60487
other
Ce3Mg1
4
225
106.29
mp-978885
-5.767694
-3.411592
-1.768852
other
Sn1Te3
4
225
115.13
mp-972741
-3.863115
-4.886389
5.580458
other
Si3P1
4
225
58.07
mp-1144
-4.222334
-3.84645
0.921311
other
Er1P1
2
225
43.95
mp-669648
-7.355776
-0.997945
4.923371
other
Ho6Mn23
29
225
435.21
mp-24096
2.972988
-0.446477
-1.881253
other
Nd1H2
3
225
41.33
mp-999473
6.618876
8.89747
-2.21711
other
Zn1N1
2
225
19.33
mp-542583
-5.723332
-3.931689
-1.978057
other
Eu1Te1
2
225
70.89
mp-865385
-6.064829
-0.855735
3.542958
other
V3Re1
4
225
54.08
mp-1007
-6.376482
-5.147637
2.397115
other
Dy1Sb1
2
225
59.31
mp-1055
-4.914201
-2.981802
-4.180818
other
Cd1Se1
2
225
47.48
mp-979283
-6.478134
-1.143134
3.866664
other
V3Cu1
4
225
52.11
mp-1184961
-5.34212
-7.16872
3.192013
other
K1Li3
4
225
130.03
mp-1086
-4.014638
-0.191214
3.099023
other
Ta1C1
2
225
22.3
mp-24288
2.831802
-0.465265
-1.76302
other
Lu1H2
3
225
31.05
mp-631
-3.754115
-0.270589
2.914663
other
Ti1C1
2
225
20.32
mp-1009787
-5.838431
-0.588741
2.936903
other
Ru1C1
2
225
20.18
mp-999396
-5.749035
-2.559508
3.581708
other
Nb3Ni1
4
225
65.87
mp-978291
-7.711071
-9.315453
6.550833
other
Mg3Pa1
4
225
95.87
mp-1184652
-6.619592
-3.947178
3.559446
other
Ge3Os1
4
225
65.17
mp-867227
-7.161147
-5.928171
3.176453
other
Li3Pt1
4
225
54.4