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-977283
-5.346342
-1.080407
3.870727
other
Mg1Re3
4
225
60.42
mp-1610
-3.007634
-3.850878
-3.317828
other
Tb1S1
2
225
42.44
mp-1187696
-6.632646
-0.768108
3.852911
other
V1Cr3
4
225
46.92
mp-1185993
-6.350401
-1.23762
1.849859
other
Mn3Te1
4
225
53.31
mp-1186143
-7.196129
-6.856058
6.790492
other
Na1Lu3
4
225
117.22
mp-2693
-4.480601
-3.051335
-4.131383
other
Sn1Se1
2
225
54.57
mp-1184344
-6.354095
-6.110799
3.281975
other
Ga3Pb1
4
225
93.49
mp-10260
-6.81066
-1.978365
1.371812
other
Ni3Sb1
4
225
50.41
mp-2732
-5.952991
-1.495915
1.432704
original
P1Rh2
3
225
41.83
mp-1104892
-3.718056
1.793096
2.918411
other
Pu1B12
13
225
104.16
mp-1186045
-5.242414
-7.223065
3.112295
other
Na3Ga1
4
225
111.98
mp-10159
-4.748943
-6.27142
0.659354
other
K3Sb1
4
225
151.11
mp-1178936
7.233763
7.885179
-3.518584
other
Te1O6
7
225
105.73
mp-1186080
-5.732199
-7.067012
2.787855
other
Na3Sn1
4
225
109.22
mp-10197
11.6844
8.592361
1.356993
other
Zr1O1
2
225
24.74
mp-1009755
-5.705754
-6.712771
3.729037
other
Ca2Ge1
3
225
92.82
mp-2627
-5.61948
-4.065999
0.598168
other
Dy1As1
2
225
48.94
mp-1187594
8.047817
1.618985
-0.538564
other
Yb1F3
4
225
42.83
mp-975554
-5.663723
-4.554025
3.487712
other
Pu3Sc1
4
225
89.18
mp-974962
-3.843592
-7.08508
2.122749
other
Rb3Ho1
4
225
268.02
mp-1002206
-1.437155
-0.060328
2.02392
other
Si1C1
2
225
16.61
mp-1183900
-6.340806
-6.939148
2.392459
other
Co1Pb3
4
225
100.97
mp-1208639
-3.974121
-6.166417
2.66565
other
Sr1C1
2
225
45.78
mp-1094328
-5.215709
-3.036114
4.104463
other
Mg1Ti3
4
225
73.85
mp-1184561
-5.383407
-5.084223
3.032871
other
Ge3As1
4
225
77.79
mp-1444174
-4.204381
-3.993052
-3.35672
other
Ce3Se6
9
225
245.64
mp-977062
-4.938904
-7.481903
3.21297
other
Na3Ca1
4
225
151.92
mp-1094230
-6.526974
-6.222368
2.038014
other
Mg1Sn3
4
225
105.11
mp-814
-3.17703
-4.030934
-3.078667
other
Dy1Se1
2
225
47.27
mp-974415
-5.401153
-1.225882
4.004414
other
Re3Pb1
4
225
67.73
mp-1057758
1.640072
1.780689
1.281559
other
Ba1N1
2
225
46.91
mp-1002114
2.927402
-0.29795
-1.695913
other
V1H1
2
225
15.15
mp-973557
-8.688555
-5.268045
2.217275
other
Fe1Au3
4
225
68.21
mp-1060435
2.688361
-0.393713
-1.653839
other
Ti1H1
2
225
18.25
mp-1187127
-4.984798
-7.312739
3.939009
other
Sr3La1
4
225
192.93
mp-1184873
-3.978388
-7.340049
2.128359
other
K3Cr1
4
225
200
mp-492
0.488281
1.346593
2.785579
other
Ti1N1
2
225
19.07
mp-975814
-5.698921
-0.6689
3.448457
other
Mo3H1
4
225
56.17
mp-1194452
-9.259936
-6.360911
4.622971
other
Tm6Zn23
29
225
482.08
mp-1186361
-4.084188
-3.047668
0.882251
other
P3W1
4
225
55.9
mp-24722
2.85585
-0.488194
-1.894955
other
H1Rh1
2
225
16.3
mp-1672
-3.150356
-2.21858
-5.439393
other
Ca1S1
2
225
46.41
mp-1184886
-3.976815
-7.243226
2.111687
other
K3Mn1
4
225
193.69
mp-1186973
-8.394487
-6.811577
3.14367
other
Sc1Ag3
4
225
73.18
mp-1094224
-6.719207
-5.48594
3.053803
other
Zr1Sn3
4
225
102.13
mp-975198
-5.665888
-7.03747
1.661588
other
Rb1Tl3
4
225
139.67
mp-1253
-4.294447
-3.384307
-4.013613
other
Ba1Se1
2
225
74.09
mp-1367
-3.779907
-8.25026
6.967312
other
Mg2Si1
3
225
63.7
mp-408
-6.328151
-9.944478
4.25359
other
Mg2Ge1
3
225
64.58
mp-1187027
-6.493604
-6.120361
2.000916
other
Sn3Ge1
4
225
102.03
mp-973940
-7.479374
-7.061882
2.638008
other
Li1Cd3
4
225
78.38
mp-1187253
-5.536533
-3.206388
3.876192
other
Ta1Ti3
4
225
69.71
mp-744
-4.068675
-3.841407
0.854406
other
Ho1P1
2
225
44.7
mp-22886
-5.826119
-4.299323
1.338297
other
U1Bi1
2
225
64.43
mp-1061023
-4.42682
-6.756585
2.802445
other
Rb1B1
2
225
74.26
mp-972751
-3.939214
-4.771308
5.867734
other
Si3Ge1
4
225
63.54
mp-865382
-6.545833
-0.915602
3.771406
other
V3Ru1
4
225
52.75
mp-973444
-3.834538
-7.114485
2.391938
other
K3V1
4
225
195.8
mp-2014
-4.057658
-3.905152
0.908711
other
Dy1P1
2
225
45.43
mp-974458
-5.175942
-1.078805
3.967993
other
Re3F1
4
225
56.95
mp-1077177
-7.624189
-10.641472
5.34268
other
Mg2Ni1
3
225
57.74
mp-1186074
-5.401478
-7.184698
3.052173
other
Na3Pd1
4
225
91.4
mp-1186703
-7.319579
-6.957315
7.418119
other
Pr3Cr1
4
225
121.22
mp-1206714
-5.854525
-5.712455
3.732155
other
Al2Sn1
3
225
75.45
mp-295
-5.606699
-3.95739
0.585057
original
Ho1As1
2
225
48.24
mp-2472
9.501648
8.548305
1.93374
other
Sr1O1
2
225
34.5
mp-1002182
0.354573
2.09344
2.032012
other
Tc1N1
2
225
20.22
mp-2823
-3.994997
-3.870558
0.823939
other
Nd1P1
2
225
51.57
mp-1187702
-6.01049
-0.666591
3.496927
other
V1W3
4
225
61.04
mp-23304
-4.90874
-6.375437
0.857743
other
Rb3Bi1
4
225
183.27
mp-1776
1.503888
1.545445
2.330111
other
U1N2
3
225
36.42
mp-568662
1.067704
1.590296
-5.089309
other
Ba1Cl2
3
225
100.3
mp-1009545
1.521901
1.572576
2.423636
other
Pa1N1
2
225
30.25
mp-980905
-6.64766
-6.078387
2.048941
other
Zn1Sn3
4
225
101.36
mp-1080355
-4.26549
-4.981848
-3.419333
other
Ce24Se48
72
225
8,310.51
mp-1185107
-4.00732
-7.043252
1.618458
other
K1Rb3
4
225
359.99
mp-1184876
-4.168937
-7.14011
2.164034
other
K3Li1
4
225
227.67
mp-1187945
-6.192634
-7.16222
4.441073
other
Yb3Cd1
4
225
124.11
mp-1183485
-5.157906
-7.325543
3.920333
other
Ca3Mn1
4
225
127.83
mp-971944
-6.349036
-10.809235
5.944176
other
Sr1Mg3
4
225
113.62
mp-23301
8.307638
1.944873
0.932504
other
Bi1F3
4
225
47.9
mp-20194
9.617317
8.741447
3.006795
other
Ce1O2
3
225
40.86
mp-1009829
-3.978104
-3.211851
5.032328
other
Be2Si1
3
225
36.8
mp-983359
-4.049623
-4.808658
5.737172
other
Ga1Si3
4
225
63.18
mp-982873
-5.566501
-7.417672
2.946289
other
Na3Tl1
4
225
118.24
mp-2182
-4.854594
-5.085008
0.372978
other
Sn1As1
2
225
47.62
mp-2002
-6.149508
-4.543394
0.990129
other
Cu3Sb1
4
225
60.33
mp-1008826
0.667431
2.293617
1.838938
other
Os1N2
3
225
28.96
mp-865376
-7.904136
-9.518537
6.94956
other
Y1Mg3
4
225
97.24
mp-1960
9.442215
11.880625
0.010588
other
Li2O1
3
225
25.2
mp-978276
-7.810921
-10.491708
5.429285
other
Mg3Co1
4
225
68.92
mp-1039249
-7.438926
-6.993926
2.432593
other
Mg1Cd3
4
225
88.75
mp-1009582
-5.278849
0.540391
2.685041
other
Ni1C1
2
225
16.82
mp-999439
-5.688198
-2.158669
3.705417
other
Nb3Cr1
4
225
66.7
mp-1184962
-6.814076
-7.048244
2.612394
other
K1Cd3
4
225
119.62
mp-1008820
0.766201
2.491508
1.380396
other
Pd1N2
3
225
30.75
mp-1183674
-6.975042
-6.542706
2.506723
other
Cd1In3
4
225
103.42
mp-1183404
-5.022714
-1.440003
4.555474
other
Be3Cu1
4
225
35.06
mp-282
9.141473
3.116131
1.561213
other
Ti1F2
3
225
35.01
mp-1100763
-7.852634
-3.017958
2.540455
other
Pt3F1
4
225
59.03