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-1187302
-6.744602
-6.037488
5.81497
other
Tb3S1
4
221
97.86
mp-983585
-5.972899
-4.239882
6.035314
other
Al3Zn1
4
221
62.51
mp-21765
-4.809896
-1.904045
-3.102699
other
Pd34Se30
64
221
1,224.86
mp-19736
-5.737116
-3.969728
-1.80047
other
Eu1Te1
2
221
64.6
mp-1185492
-7.88617
-9.468761
6.762022
other
Lu1Mg3
4
221
96.59
mp-1187366
-7.651768
-1.622944
4.508338
other
Tb1Ru3
4
221
66.8
mp-1183549
-6.926905
-6.708274
6.8619
other
Ca1Tb3
4
221
133.42
mp-1206414
8.408068
1.159724
0.796865
other
Tl2F3
5
221
99.68
mp-974948
-4.127002
-6.950363
1.653745
other
Rb3In1
4
221
237.07
mp-1186120
-8.24531
-0.874502
4.377722
other
Np1Co3
4
221
53.16
mp-981387
-7.277121
-7.616909
1.629332
other
Hg3Bi1
4
221
107.8
mp-1187136
-5.399664
-7.09089
3.519364
other
Sr3Sn1
4
221
154.53
mp-2399
-8.214483
-7.777528
4.499812
other
Y1Hg1
2
221
50.91
mp-983237
-6.06472
-5.749848
2.227597
other
Ga3Bi1
4
221
93.01
mp-973466
-6.454486
-5.811999
2.009455
other
In3As1
4
221
101.96
mp-983497
-6.071402
-5.511602
5.381878
other
Pa3Zn1
4
221
91.66
mp-20773
-5.459013
-3.852699
1.43839
other
Pu1As1
2
221
43.83
mp-985
-8.827296
-6.047867
5.283389
other
Tm1Cu1
2
221
38.77
mp-2061
-7.243003
-7.302601
4.646467
other
Th1Tl3
4
221
110.83
mp-1206423
-7.94039
-6.549542
5.680315
other
Nd1In1
2
221
57.86
mp-979423
-7.71826
-4.687294
5.653046
other
Y1Ga3
4
221
77.04
mp-11517
-7.437193
-1.623897
4.424953
original
Nb1Ru3
4
221
58.64
mp-1206425
-7.754334
-0.069884
3.466708
other
Co4N1
5
221
51.05
mp-12594
-7.522357
-2.167537
4.199685
other
Ti1Ir1
2
221
30.42
mp-862920
-8.008724
-6.244577
5.05602
other
Pm1In3
4
221
102.24
mp-2165
-8.376863
-7.026411
5.358884
other
Sm1Zn1
2
221
47.59
mp-11521
-7.951234
-4.212443
4.44903
other
Sc1Ni1
2
221
31.33
mp-1183127
-7.948984
-4.172495
4.55869
other
Al3Pd1
4
221
61.49
mp-1187338
-7.166173
-6.775423
7.116716
other
Tb1Ho3
4
221
125.36
mp-632319
3.368957
-0.667986
-2.154406
other
Cs1H1
2
221
55.67
mp-1011031
-6.785036
-5.64474
3.153896
other
Pr1Bi1
2
221
64.5
mp-1183679
3.266357
-0.320299
-1.935532
other
Cr1H3
4
221
21.11
mp-1013583
-5.045094
-6.260158
0.863141
other
Sr3Sb2
5
221
230.35
mp-974779
-6.174359
-6.227754
6.216634
other
Nd1Th3
4
221
131.15
mp-635
-8.38298
-2.591077
3.746433
original
Sc1Rh3
4
221
59.48
mp-978498
-7.604877
-5.188385
5.194908
original
Sc3Al1
4
221
87.06
mp-372
-7.705736
-2.23953
2.691274
original
V1Pt3
4
221
59.37
mp-2443
-8.288113
-7.718907
4.613545
other
Dy1Hg1
2
221
50.37
mp-1187915
-6.476902
-6.995691
4.220907
other
Yb3Ag1
4
221
125.35
mp-1187482
-6.462236
-7.240477
2.202131
other
Tl3V1
4
221
100.88
mp-972087
2.805549
-0.346018
-1.700278
other
Zr1H3
4
221
30.55
mp-984711
-6.559011
-0.862071
3.8952
other
Cr3Cu1
4
221
46.73
mp-1013587
-5.345619
-6.543606
1.165901
other
Sr3Bi2
5
221
243.55
mp-570698
-6.585317
-1.448092
3.680965
other
V3Au1
4
221
58.34
mp-195
-8.00399
-3.188069
2.405328
other
Ho1Pt3
4
221
68.14
mp-1184654
-5.958689
-3.913708
4.057984
other
Hf3Co1
4
221
76.35
mp-1185427
-7.969582
-6.355039
6.654603
other
Lu3Al1
4
221
99.03
mp-1094791
-7.521669
-10.854275
5.2663
other
Mg3Zn1
4
221
78.16
mp-998901
-2.0564
0.52768
2.376199
other
Th1C1
2
221
32.55
mp-1096797
-3.12946
1.462119
2.835338
other
Hg1B6
7
221
73.72
mp-755300
12.575358
10.086808
2.228345
other
Ti3O3
6
221
68.25
mp-13141
-5.769184
-3.512664
-2.695659
other
Hg1Te1
2
221
55.34
mp-1183974
-6.320599
-5.608584
0.647638
other
Ga1Bi3
4
221
118.93
mp-1059879
1.708853
2.424189
0.369029
other
Cs1N1
2
221
57.71
mp-1187250
-5.55563
-3.200377
3.868097
other
Ta1Ti3
4
221
70.6
mp-971951
-6.121481
-3.604333
3.819949
other
Zr3Pt1
4
221
82.39
mp-1172
-8.172441
-3.145973
3.429783
other
Mg1Rh1
2
221
29.41
mp-1186658
-6.151921
-6.254801
6.250502
other
Pm1Th3
4
221
130.55
mp-510400
-8.435065
-2.477249
3.861108
other
Gd1Ir3
4
221
66.75
mp-1186103
-6.385993
-8.072078
5.493076
other
Na1Ac3
4
221
173.65
mp-21063
-3.427481
-3.599349
-2.476955
other
U4S3
7
221
158.77
mp-16728
-4.243792
-3.994071
0.984772
other
Sc1P1
2
221
35.26
mp-13496
-7.758344
-4.633637
3.382516
other
Zr1Pd1
2
221
37.93
mp-1183711
-6.177887
-6.090985
5.980359
other
Ce3Ti1
4
221
99.39
mp-1533
-7.614295
-6.883202
6.413337
other
Nd3Tl1
4
221
124.16
mp-1186300
-7.165029
-6.668515
6.885695
other
Nd1Er3
4
221
127.09
mp-1186098
-5.562483
-5.422884
5.163663
other
Na1Al3
4
221
75.13
mp-1183684
-7.082321
-0.966455
2.693307
other
Co3Se1
4
221
45.37
mp-1183379
-5.257258
-7.445878
3.78835
other
Ba1Eu3
4
221
208.43
mp-2077
-8.007077
-8.654866
6.969482
other
Dy1Mg1
2
221
54.13
mp-1094980
-7.819615
-6.838148
3.732355
other
Ca1Zn3
4
221
81.46
mp-1183945
-4.081704
-6.915645
1.52254
other
Cs1Rb3
4
221
403.91
mp-1187778
-6.894041
-6.292171
6.561691
other
Y3P1
4
221
96.73
mp-2502
-8.158181
-6.884738
5.264156
other
Tm1Cd1
2
221
49.55
mp-1010953
-8.031142
-9.038343
5.021028
other
Mg2Ni2
4
221
54.42
mp-12110
-6.767776
-1.831828
4.357534
other
Ta1Ru1
2
221
32.12
mp-1064161
6.827578
7.547765
-2.138407
other
Na1N3
4
221
35.93
mp-1877
-6.87771
-4.262112
6.469468
other
Ho1Al3
4
221
74.88
mp-1184868
-3.867566
-7.095181
2.570128
other
K3Hf1
4
221
193.86
mp-999298
-8.383355
-4.256706
2.059639
other
Pd3Au1
4
221
62.46
mp-1002183
-5.270277
0.133872
3.455794
other
Tc1B1
2
221
20.42
mp-2121
-6.902015
-3.588751
6.274159
other
Sc1Al3
4
221
68.31
mp-1183751
-8.872037
-0.689001
3.105523
other
Co1Ni3
4
221
42.41
mp-1185851
-2.177178
-0.488451
2.652957
other
Mg1C1
2
221
22.05
mp-1065741
-7.1983
0.278548
4.244602
other
Nb1Fe3
4
221
51.76
mp-1184564
-5.802984
-3.853498
4.040998
other
Hf3Ag1
4
221
83.54
mp-11498
-6.07672
-7.219631
2.798466
other
Mg1Tl1
2
221
48.14
mp-1020
-7.878978
-2.134363
3.616389
other
Ta1Rh3
4
221
57.95
mp-2090
-7.925143
0.179045
3.600711
other
Fe1Co1
2
221
22.88
mp-1008928
-4.480777
-3.471349
-3.828675
other
Eu1Se1
2
221
53.84
mp-22704
-8.009882
-6.581698
5.710806
other
Y1In1
2
221
53.13
mp-21215
-8.418584
-4.757732
2.359855
other
In1Pd1
2
221
35.03
mp-1187243
-7.181044
-1.591256
4.32936
other
Ta1Os3
4
221
60
mp-30867
-8.027748
-3.576826
4.911968
other
Sc1Ru1
2
221
32.72
mp-1009493
1.553547
1.560397
2.229742
other
Np1N1
2
221
26.86
mp-1183398
-5.313364
-7.429552
4.074801
other
Ba1Yb3
4
221
185.13
mp-1183678
3.180861
-0.28065
-1.926754
other
Co1H3
4
221
17.81
mp-1025192
-4.25818
-0.308643
3.0235
other
Ta4C3
7
221
87.84
mp-999188
-7.718876
-1.627558
2.84235
other
Nb1Ni3
4
221
50.47
mp-1008924
-6.521205
-5.326082
2.721457
other
Dy1Sb1
2
221
55.02