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-20360
-7.179262
-5.393431
3.899634
other
Pu1In3
4
221
100.54
mp-542569
-7.41794
-1.692026
4.497328
other
Al1Ru1
2
221
26.53
mp-10902
-7.329136
-6.016541
6.541277
other
Pr1Al1
2
221
53.14
mp-11522
-7.900921
-1.723732
2.35522
other
Ni3Sn1
4
221
50.23
mp-11953
-7.174223
-7.583057
1.66863
other
Rb3Hg33
36
221
1,067.09
mp-862820
-4.694681
-4.132929
5.826997
other
Pa1Si3
4
221
69.16
mp-1094669
-6.771163
-9.332206
3.320234
original
Mg1Sn1
2
221
47.56
mp-23302
-1.111594
2.875541
-2.757704
other
Rb1I1
2
221
87.73
mp-1186043
-5.02446
-7.331684
3.561614
other
Na3Hf1
4
221
115.16
mp-20997
-8.146587
-2.086737
2.689821
other
In1Ni1
2
221
31.17
mp-21143
-4.022087
-3.867593
0.913685
other
Ce1P1
2
221
43
mp-1185440
-8.039858
-6.623762
6.525221
other
Lu3Cd1
4
221
107.91
mp-20603
-7.217033
-7.297206
4.587916
other
Ce1Tl3
4
221
111.02
mp-1183969
-6.184341
-4.478446
0.959141
other
Cu3Sb1
4
221
59.2
mp-1186902
-5.780997
-0.756934
3.728675
other
Re3Ir1
4
221
58.5
mp-20365
-6.521467
-4.253245
4.767883
other
Np1Ge3
4
221
76.46
mp-1186282
-6.965025
-6.7085
7.186121
other
Nd3Ti1
4
221
119.94
mp-1742
-8.847922
-5.499809
6.231402
other
Gd1Rh1
2
221
40.99
mp-11484
-7.445926
-3.286514
4.377331
other
Zr1Ir1
2
221
36.51
mp-982048
11.527031
9.168659
-0.773517
other
Ge2O3
5
221
52.07
mp-982773
-5.560024
-7.420745
2.942672
other
Na3Tl1
4
221
118.31
mp-978271
-6.932302
-10.103535
5.530029
other
Mg3Al1
4
221
82.19
mp-1183161
-7.45664
-4.13612
5.565474
other
Al3Cu1
4
221
60.43
mp-1094792
-7.645327
-9.472159
6.506098
other
Mg3Zr1
4
221
87.66
mp-11358
-7.129971
-0.662583
3.651042
other
Ta1Co3
4
221
47.55
mp-2825
-8.544582
-4.267103
2.39868
other
Er1Pd3
4
221
67.35
mp-1187699
-7.918094
-6.52165
6.178027
other
Tm3In1
4
221
107.71
mp-1076
-3.291765
1.709524
2.889659
other
K1B6
7
221
74.75
mp-971682
2.848711
2.312257
1.963001
other
Si12N8
20
221
300.81
mp-10110
-6.675353
-2.133594
4.367423
other
Si1Rh1
2
221
26.54
mp-1996
-8.518746
-2.629628
4.078354
other
Nd1Ir3
4
221
70.64
mp-1183680
-6.018752
-0.493918
3.49906
other
Co1W3
4
221
59.66
mp-986
-7.904435
-6.111457
4.735134
other
Ce1Zn1
2
221
47.71
mp-2391
-8.27203
-4.489574
2.540964
other
Yb1Pd3
4
221
68.1
mp-1104
-7.448679
-8.073346
6.43436
other
La1Mg1
2
221
62.93
mp-1199
-7.973459
-8.834947
6.862853
other
Ho1Mg1
2
221
53.7
mp-865786
-8.352642
-3.958473
2.079681
other
Cr1Pd3
4
221
58.9
mp-649
-7.766697
-1.937751
2.945361
other
Fe1Pt3
4
221
58.91
mp-7700
-3.088727
1.456452
2.835386
other
Si1B6
7
221
70.63
mp-1013582
-4.655416
-6.315225
1.122814
other
Ba3Sb2
5
221
275.58
mp-1186881
-3.801249
-7.137421
2.3407
other
Rb3Ti1
4
221
241.73
mp-2375
-8.376047
-4.255753
2.41085
other
Np1Pd3
4
221
70.96
mp-603251
11.849801
10.301589
0.778829
other
Pd1O1
2
221
22.32
mp-1044
-8.351096
-2.55619
4.14178
other
U1Ir3
4
221
65.66
mp-972352
-6.323275
-7.827412
4.91182
other
Yb1Mg1
2
221
61.52
mp-1187151
-5.028087
-7.349166
3.709952
other
Sr1Ca3
4
221
186.83
mp-1187766
-7.589528
-6.457865
6.385551
other
Y3Ga1
4
221
107.65
mp-981662
-5.244828
-4.113342
3.60164
other
Yb1U3
4
221
86.7
mp-1183489
-5.612946
-7.001712
3.678363
other
Ca3Sn1
4
221
125.2
mp-998947
-7.369421
-1.471505
4.351394
other
Ti1Ru3
4
221
57.49
mp-30353
-8.200091
-3.021527
2.40032
other
Ag1Pt3
4
221
64.33
mp-1184453
-7.229101
-6.89151
7.056375
other
Gd3Er1
4
221
136.24
mp-980646
-3.416946
-4.936071
6.482203
other
Tm1Si3
4
221
69.18
mp-1183889
-6.305048
-6.341706
6.138299
other
Ce3Gd1
4
221
113.5
mp-1183105
-6.139023
-7.825493
5.709023
other
Ac3Ce1
4
221
158.54
mp-316
-6.552146
-0.70844
3.934387
other
Mn1V1
2
221
23.29
mp-571352
-3.483951
1.716838
2.98429
other
Tm1B6
7
221
67.96
mp-11573
-6.115582
-1.58524
4.113739
other
Ti1Tc1
2
221
29.63
mp-13480
1.337188
2.02801
0.896836
other
Cu3N1
4
221
42.49
mp-975467
-7.361118
-2.068789
3.334944
other
Mn3Hg1
4
221
64.47
mp-1185566
-4.015937
-6.937195
1.722888
other
Cs3Ac1
4
221
337.65
mp-1183186
-7.828209
-3.140265
2.483989
other
As1Pt3
4
221
64.67
mp-10637
-5.658434
-4.432892
1.102966
other
Th1Sb1
2
221
57.58
mp-861931
-8.11324
-2.823108
2.381093
other
Li1Pt3
4
221
57.21
mp-973292
-5.444484
-1.076624
4.593833
other
Mn1Be3
4
221
34.38
mp-1723
-6.743021
-3.436418
5.456343
other
U1Al3
4
221
78.4
mp-11496
-8.62517
-6.730645
5.431509
other
Lu1Zn1
2
221
41.27
mp-2381
-9.050028
-5.250297
5.958202
other
Er1Rh1
2
221
38.18
mp-1008985
0.406006
2.440147
1.828588
other
Co1N1
2
221
16.03
mp-1184785
-6.086377
-5.75015
3.478272
other
In1Ga3
4
221
79.57
mp-1186490
-6.846057
-7.228356
7.197165
other
Pm3Dy1
4
221
135.09
mp-975664
-6.798521
-4.466945
5.308374
other
Nd1Ge3
4
221
85.17
mp-1010071
-6.925812
-0.358374
3.65197
other
Cr1Co1
2
221
23.18
mp-983604
-7.489511
-5.898676
5.655339
other
Er3As1
4
221
97.34
mp-1082
-7.635782
-1.523096
3.661536
other
V1Ir3
4
221
55.6
mp-1005727
-5.100584
-5.062631
4.441937
other
Tm1Np3
4
221
98.41
mp-1203399
-7.694827
-7.085493
2.956124
other
Sm3Cd33
36
221
810.04
mp-1184892
-6.7675
-6.19315
2.355263
other
In3S1
4
221
105.77
mp-1184213
-7.568395
-1.549704
4.387774
other
Er1Ru3
4
221
65.46
mp-1185300
-7.763443
-6.727774
2.155253
other
Li1Ag3
4
221
66.19
mp-1187452
-8.085586
-3.441685
2.573185
other
Th1Pt3
4
221
74.99
mp-30777
-8.114295
-2.996471
2.446355
other
Mg1Pt3
4
221
60.74
mp-983539
-8.492911
-6.151978
2.116786
other
Be1Au3
4
221
64.56
mp-1057125
-3.532698
-1.900131
-5.209935
other
K1S1
2
221
56.51
mp-1187102
-5.209583
-7.508752
3.419509
other
Sr3Ag1
4
221
165.55
mp-11388
-8.020149
-2.314285
4.035675
other
Ga1Ir1
2
221
27.78
mp-797
-8.528192
-4.30586
2.480052
original
Dy1Pd3
4
221
68.37
mp-1837
-8.702682
-5.994077
5.151259
other
Tb1Cu1
2
221
41.26
mp-1186733
-6.991416
-6.716583
7.266718
other
Pr3Ti1
4
221
122.76
mp-20849
-7.84755
-4.481498
1.643202
other
Pd3Pb1
4
221
67.88
mp-1007693
-7.482646
-1.746427
4.453346
other
Hf1Os3
4
221
62.74
mp-1001918
-2.978985
-0.231722
2.932844
other
Hf1C1
2
221
24.29
mp-2861
-6.047212
-7.361547
3.375575
other
Ca1Tl1
2
221
57.76
mp-1206376
-8.66914
-5.380027
2.214574
other
Mn1Au3
4
221
67.98
mp-1185044
-6.980326
-6.901701
7.321319
other
La1Pr3
4
221
146.48
mp-1408
-7.365065
-7.458721
2.516335
other
Mg1Hg1
2
221
40.96
mp-2607
-6.523632
-3.698052
4.557542
other
U1Ge3
4
221
75
mp-19870
-7.472343
0.156103
3.762385
other
Ga1Fe3
4
221
48.15
mp-1009831
0.741809
1.607358
2.900047
other
Ta1N1
2
221
20.9
mp-20839
-2.076133
-8.385249
1.591629
other
Ni4N1
5
221
75.52