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-974376
-8.101216
-1.90914
3.255075
other
Pt1Rh3
4
139
56.64
mp-31138
-8.440976
-3.887463
2.044785
other
Mn2Pd6
8
139
119.68
mp-1866
6.722247
6.03021
-3.788615
other
K1O2
3
139
49.22
mp-1183699
-6.907403
-1.188463
2.289191
other
Co3Te1
4
139
51.56
mp-976150
-5.57827
-5.444649
5.16537
other
Na1Al3
4
139
76.2
mp-976422
-5.504063
-3.702758
3.699682
other
Hf3C1
4
139
70.41
mp-1186537
-6.82563
-7.18735
7.09108
other
Pm3Sc1
4
139
127.16
mp-1186172
-5.413768
-7.394668
3.712798
other
Na1Eu3
4
139
177.52
mp-1018156
-5.78934
-3.814232
4.084187
other
Hf2Cd1
3
139
64.56
mp-976029
-6.946172
-6.544601
6.856
other
Ho3Zr1
4
139
114.64
mp-1187546
-6.236308
-7.165976
1.96984
other
Tl3Cu1
4
139
104.24
mp-861975
10.608356
9.658115
1.654704
other
Pa1O3
4
139
41.44
mp-1187230
-6.955512
-6.832091
7.01126
other
Sr1Sm3
4
139
149.27
mp-1185866
-6.276416
-5.562745
3.679751
other
Mg1Ga3
4
139
71.35
mp-1186091
-5.187351
-7.230852
3.011539
other
Na3Zn1
4
139
116.49
mp-21884
-6.568936
-5.750734
4.360633
other
Eu1Ga4
5
139
101.05
mp-999544
-8.468584
-7.084653
3.530161
other
Y1Ag2
3
139
63.77
mp-978293
-6.834846
-10.14382
4.32391
other
Mg3Pb1
4
139
93.82
mp-1009827
-3.959078
-5.726546
5.334411
other
Ba1Si2
3
139
105.05
mp-1380
-9.110059
-4.577727
3.375891
other
Zn6Ru2
8
139
108
mp-536
-9.035007
-6.102722
4.630362
other
Th1Zn4
5
139
92.55
mp-1094514
-7.041977
-10.771205
4.510407
other
Mg3Sn1
4
139
89.63
mp-1183502
-5.228203
-7.262538
4.012878
other
Ca3V1
4
139
132.02
mp-978795
-7.77227
-6.820225
6.971477
other
Sm3Hg1
4
139
114.11
mp-1186535
-5.03443
-4.365564
0.37858
other
Pm1As3
4
139
86.55
mp-759
-6.022195
-5.186141
2.139652
other
La4Sb2
6
139
198.18
mp-1186158
-6.647203
-6.783877
2.71328
other
Na1In3
4
139
101.22
mp-972874
-0.144828
1.873189
-4.184171
other
Se1Br3
4
139
136.54
mp-1196953
-6.92847
-4.625188
5.606459
other
Tb22Ge20
42
139
999.43
mp-2614
-6.448385
-3.164935
5.662824
other
Hf1Al3
4
139
68.01
mp-1186864
-3.872513
-7.013588
2.092002
other
Rb3Pm1
4
139
265.18
mp-1184031
-5.899998
-5.838425
3.27907
other
Ga3Sn1
4
139
82.36
mp-171
-8.00045
-1.022884
2.741773
other
V1Ni3
4
139
43.4
mp-1007923
-8.147677
-0.977966
2.792491
other
Cr1Ni3
4
139
43.47
mp-1187457
-6.55763
-5.719994
5.409992
other
Th1Sc3
4
139
106.97
mp-972077
-6.799064
-3.399503
3.893505
other
Tc1Ge3
4
139
63.92
mp-1183910
-5.686255
-4.675964
3.321765
other
Dy1Pu3
4
139
113.02
mp-975056
-4.042554
-6.928338
1.855574
other
Rb3Al1
4
139
220.18
mp-1183723
-6.353398
-0.878758
3.735398
other
Cr3H1
4
139
40.58
mp-1186093
-5.133277
-7.42864
3.204028
other
Na3W1
4
139
115.01
mp-2367
-2.091063
0.472491
2.332077
other
La1C2
3
139
51.26
mp-1183175
-7.55097
-3.899224
4.920089
other
Al3Pt1
4
139
61.51
mp-1094248
-7.127549
-5.700816
3.459395
other
Y1Sn3
4
139
104.79
mp-1185154
-6.605865
-6.52683
6.52461
other
La3Ce1
4
139
134
mp-982195
-7.010848
-6.836584
6.971542
other
K1Nd3
4
139
156.65
mp-1183651
-6.042388
-5.629076
0.59528
other
Cd3Te1
4
139
104.73
mp-12664
-5.106777
-1.562998
4.673946
other
Be12Au1
13
139
114.86
mp-1184311
-7.752328
0.319293
3.846921
other
Fe3Cu1
4
139
47.26
mp-1185909
-8.738832
-1.469328
2.70063
other
Mg1Ni3
4
139
48.58
mp-570425
-7.034974
-5.354175
4.417772
other
Yb2Ga10
12
139
243.75
mp-1183408
-5.268281
-1.433061
4.632203
other
Be3Pd1
4
139
39.71
mp-1186386
-5.658597
-4.716322
3.400886
other
Nd1Pu3
4
139
117.08
mp-1184452
-6.902037
-6.874614
7.102188
other
Eu1Ho3
4
139
116.22
mp-973175
-6.449863
-5.395942
1.108636
other
Sc1Bi3
4
139
116
mp-975795
-7.218842
-6.899388
7.308198
other
Pr1Tm3
4
139
126.52
mp-1183235
-7.109736
-6.989784
7.228549
other
Ac1Nd3
4
139
151.67
mp-1186726
-7.097368
-6.939931
7.443531
other
Pr3Sm1
4
139
143.31
mp-1188068
-5.041563
-4.864995
4.168007
other
Zr1Np3
4
139
87.68
mp-1064492
9.364367
8.630421
2.086488
other
Ca2O2
4
139
94.7
mp-1022722
10.053385
8.454748
-0.365341
other
Bi3O2
5
139
111.29
mp-1187626
-7.22001
-10.058711
6.142356
other
Yb1Mg3
4
139
103.41
mp-1183958
-4.070059
-7.008089
1.640539
other
Cs1K3
4
139
348.53
mp-1183428
-5.956108
-5.674045
3.645206
other
Be1Ga3
4
139
63.33
mp-1183427
-5.382511
-5.264129
3.138924
other
Be1Ge3
4
139
68.04
mp-454
-6.208199
-6.008563
3.811035
other
Na1Ga4
5
139
97.83
mp-30789
-5.264271
-3.100977
3.984473
other
U2Mo1
3
139
57.12
mp-984050
3.316242
-0.797848
-2.572612
other
Bi1H3
4
139
39.97
mp-974584
-8.402928
-5.213907
2.363027
other
Re1Au3
4
139
68.56
mp-1186180
-6.738058
-6.016525
5.379105
other
Na1Sc3
4
139
105.29
mp-1104104
-5.216177
-1.235986
4.642933
other
Be12Fe1
13
139
106
mp-1186263
-7.532501
-6.856303
6.792377
other
Nd3Cd1
4
139
121.71
mp-11416
-6.636077
-3.372309
4.723804
other
Ta1Ga3
4
139
62.23
mp-999392
-6.528305
-1.071244
4.170265
other
Nb1Cr3
4
139
54.79
mp-978552
-7.938082
-2.170774
3.791802
other
Si1Rh3
4
139
54.87
mp-1007862
-7.928492
0.294759
3.568225
other
Fe3Ni1
4
139
46.42
mp-975784
-6.893137
-6.823035
7.203224
original
Pr1Y3
4
139
135.96
mp-982637
-4.922518
-7.391045
3.20382
other
Na3Mg1
4
139
127.77
mp-1203550
-6.963
-4.60822
5.680946
other
Tm22Ge20
42
139
926.29
mp-1018103
-8.716577
-5.951267
2.730635
other
Zr1Au2
3
139
56.29
mp-1215363
-5.817061
-3.785468
3.880325
other
Zr4Pd1
5
139
107.32
mp-1185864
-5.663684
-5.330108
3.104218
other
Mg1Ge3
4
139
78.26
mp-1186879
-3.921505
-7.128199
1.815764
other
Rb3Sr1
4
139
322.78
mp-978825
-7.272562
-6.896301
7.279476
other
Sm3Cr1
4
139
115.41
mp-1196759
-6.064799
-5.82852
1.377019
other
Yb22Bi20
42
139
1,347.46
mp-2643
-8.127742
-4.010401
3.835866
other
Ti3Cu4
7
139
96.02
mp-973741
-7.262312
-6.883704
6.798061
other
Li1Ho3
4
139
115.71
mp-1185165
-7.513426
-6.293375
6.431797
other
La3Ru1
4
139
110.18
mp-975055
-4.061549
-7.093989
1.913523
other
Rb3Ac1
4
139
286.8
mp-1206707
-6.675566
-6.271225
3.668755
other
Ce1Pb2
3
139
90.28
mp-975053
-3.969208
-6.954259
1.809833
other
Rb3Ba1
4
139
335.15
mp-1186724
-7.080106
-6.939357
7.436636
other
Pr3Nd1
4
139
145
mp-973839
-8.530379
-5.448499
2.061337
other
Pd1Au3
4
139
67.46
mp-1183241
-6.800632
-7.390767
6.98084
other
Ac1Pm3
4
139
148.65
mp-1187004
-5.071263
-5.255356
3.254545
other
Si1Ge3
4
139
74.25
mp-1187549
-6.91045
-7.120728
6.961827
other
Yb1Pm3
4
139
139.63
mp-1216986
-7.342908
0.427928
4.514829
other
Ti1Fe4
5
139
60.11
mp-1183189
-7.586251
-4.627583
4.671621
other
Al3Au1
4
139
66.56
mp-742
-6.255161
-3.195025
3.858852
other
Ti2Cu1
3
139
45.66
mp-1185147
-6.670775
-6.658764
6.756552
other
La3Sm1
4
139
146.08
mp-1186365
-8.549564
-5.56248
2.221784
other
Os1Au3
4
139
68.61