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-1186659
-7.62983
-7.438684
5.665462
other
Pm1Tm1Tl2
4
225
109.3
mp-1114160
-1.174253
3.04952
-2.97102
other
Rb3Ga1I6
10
225
496.13
mp-865917
-8.733587
-6.073323
6.571856
original
Lu2Zn1Tc1
4
225
79.82
mp-865434
-7.665769
-2.678423
4.975374
other
Lu1Zr1Ru2
4
225
70.48
mp-23059
1.46077
2.56377
-5.6331
original
Rb2Sn1Cl6
9
225
262.38
mp-865288
-8.366839
-3.147914
3.681703
other
Tm1Tl1Rh2
4
225
71.57
mp-1183167
-8.393208
-5.740561
1.961887
other
Ag1Pd1Au2
4
225
67.73
mp-866024
-6.729494
-1.79033
3.952368
other
Be2Rh1Au1
4
225
45.84
mp-984551
-7.500133
-7.975198
2.971098
other
Ac1Tl1Hg2
4
225
114.31
mp-999508
-7.351325
-1.322297
2.84467
other
Mn1Si1Ni2
4
225
45.94
mp-1186767
-5.877982
-2.174402
3.866975
other
Ta2Nb1Re1
4
225
67.97
mp-11947
-7.84811
-6.585136
2.789041
other
Li1Al1Ag2
4
225
61.89
mp-865954
-8.507135
-6.180694
6.600901
other
Li1Ho2Rh1
4
225
82.39
mp-972945
-8.569921
-6.777129
4.673273
other
Ho1Er1Ag2
4
225
91.84
mp-865896
-8.057739
-6.702209
3.862594
other
Yb1Pm1Ag2
4
225
100.53
mp-1205822
-5.86874
-7.146467
2.148389
other
K2Tl6Tc1
9
225
263.52
mp-864897
-6.644228
-2.784731
4.350854
other
Zr2Cu1Os1
4
225
70.06
mp-865774
-8.470243
-3.367136
3.843814
other
Yb1In1Rh2
4
225
70.3
mp-861658
-8.116742
-2.70219
2.690495
other
Li1Mn1Pt2
4
225
55.68
mp-861912
-6.080205
-1.610961
4.221938
other
Ta1Ti1Tc2
4
225
61.72
mp-1187031
-7.986734
-6.600867
5.819686
other
Sm1Tm1In2
4
225
106.15
mp-1187694
-6.308252
-0.770052
3.619186
other
V2Os1W1
4
225
55.99
mp-865223
-7.80661
-7.074093
4.342775
other
Lu1Mg1Cd2
4
225
88.18
mp-1187428
-6.825403
-1.443601
4.211923
other
Ti2Fe1Ru1
4
225
54.57
mp-1186550
-9.037627
-5.29129
4.179263
other
Pm1Cd1Cu2
4
225
75.13
mp-1185850
-8.388593
-4.977804
2.199682
other
Mg1Cd1Pd2
4
225
65.99
mp-1205962
8.169372
0.719239
1.049726
other
K3Eu1F6
10
225
217.11
mp-11236
-8.337689
-6.695251
2.465713
other
Mg1Zn1Ag2
4
225
66.21
mp-1186506
-7.752626
-6.987267
6.046649
other
Pm2Zn1In1
4
225
106.58
mp-865175
-6.378711
-7.286368
3.240568
other
Li1Eu1Tl2
4
225
104.64
mp-861508
-8.528992
-6.293579
6.502403
other
Pr2Zn1Ir1
4
225
96.1
mp-1188052
-7.616848
-1.588834
3.895217
other
Zr1Ga1Co2
4
225
54.69
mp-1187092
-5.345845
-7.391122
3.410192
other
Sr2Mg1Tl1
4
225
137.74
mp-863668
-8.524367
-6.488308
6.476381
other
Pm2Cu1Os1
4
225
86.03
mp-865649
-6.445719
-1.788689
4.13245
other
Ti2Tc1Rh1
4
225
58.71
mp-865472
-5.92275
-1.156646
4.009827
other
V1Si1Tc2
4
225
52.78
mp-975537
-8.543127
-3.015551
3.899194
other
Nd1In1Rh2
4
225
76.23
mp-972205
-6.336609
-0.786925
3.624403
other
V2Mo1Os1
4
225
55.64
mp-865991
-8.194249
-6.903938
4.810282
other
Yb1Sm1Zn2
4
225
94.83
mp-865764
-8.669189
-4.51583
4.868199
other
Yb1Gd1Rh2
4
225
78.67
mp-1183068
-6.955919
-7.58418
5.01561
other
Ac2Cd1Ga1
4
225
128.14
mp-1187086
-6.016374
-7.004714
3.382392
other
Sr2Hg1Ge1
4
225
119.08
mp-622636
-9.119966
-5.02672
4.401603
other
Tm1In1Cu2
4
225
69.24
mp-867928
-8.367142
-2.713167
3.728635
other
Sc1Ga1Rh2
4
225
59.38
mp-1185004
-8.979449
-5.698963
6.338127
other
La1Pm1Ir2
4
225
89.26
mp-1110728
1.411605
2.59341
-5.857921
other
Rb3Sb1Cl6
10
225
370.54
mp-865191
-7.357765
-1.332472
4.114709
other
Fe1Ge1Ru2
4
225
53.02
mp-1184251
-8.641981
-6.795694
5.306159
other
Er1Tm1Zn2
4
225
85.89
mp-644281
3.452367
-0.729835
-2.390577
other
Mg7Ti1H16
24
225
208.82
mp-867812
-8.284746
-1.582434
2.965825
other
Li1Al1Ni2
4
225
44.59
mp-864646
-8.323005
-8.083298
3.229596
other
Er1Ag1Hg2
4
225
85.5
mp-979259
-6.038179
-0.709766
3.517891
other
V2Re1Mo1
4
225
56.3
mp-1187524
-9.115759
-5.559528
6.346732
other
Tb1Gd1Ir2
4
225
81.45
mp-1232423
-6.423702
-2.799191
4.224514
other
Zr2Cu1Tc1
4
225
70.12
mp-1184988
-6.24688
-6.615849
4.670346
other
Li2Sm1Al1
4
225
78.78
mp-862929
-6.058572
-6.554095
4.532019
other
Li2Pm1Al1
4
225
79.06
mp-1186641
-7.375304
-6.184253
6.619395
other
Pm1Sm1Al2
4
225
99.76
mp-1205964
3.156805
-0.474892
-2.07798
other
Ca2Fe1H6
9
225
85.46
mp-866221
-8.568835
-2.904083
3.659809
other
Hf1Sn1Rh2
4
225
67.17
mp-1111173
1.323414
2.461704
-5.781815
other
K3In1Cl6
10
225
333.05
mp-866001
-7.26691
-1.480792
4.135552
other
Al1V1Ru2
4
225
53.15
mp-1110956
-1.187881
2.471993
-2.335804
other
K3Nd1I6
10
225
540.66
mp-10181
-7.586228
-1.311604
2.826047
other
Li1Si1Ni2
4
225
41.24
mp-1186233
-7.395658
-1.785308
4.203058
other
Nb1Sn1Ru2
4
225
64.89
mp-631362
-5.263956
-3.300701
-1.652828
other
Si1Te2Os1
4
225
78.99
mp-1187587
-8.859073
-6.546384
5.178775
other
Tm2Zn1Au1
4
225
86.39
mp-1183725
-7.422653
-6.040945
4.162416
other
Ce2Ag1Sn1
4
225
110.81
mp-1186434
-7.797508
-6.97126
6.157238
other
Pm2Cd1Ga1
4
225
104.62
mp-865494
-6.601544
-0.834017
3.720713
other
V2Cr1Ru1
4
225
51.19
mp-1183576
-8.573936
-5.992742
4.317111
other
Ca1Sm1Pd2
4
225
88.15
mp-866027
-8.430404
-3.265496
3.534979
other
Yb1Rh2Pb1
4
225
73.18
mp-864831
-8.169
-2.742094
3.649984
other
Nb1Zn1Rh2
4
225
59.17
mp-865484
-6.048693
-0.719988
3.586731
other
V2Cr1Re1
4
225
52.36
mp-1184677
-8.560215
-6.28583
6.857809
other
Ho2Mg1Tc1
4
225
89.41
mp-865806
-9.197211
-4.798803
4.331947
other
Lu1Ga1Cu2
4
225
63.67
mp-1186945
-8.169145
-4.511425
4.751989
other
Sc2Cu1Ni1
4
225
65.04
mp-978624
-8.502763
-6.336101
6.592005
other
Sm2Mg1Ir1
4
225
95.1
mp-862331
-8.385029
-6.113607
6.435613
other
La2Cu1Ru1
4
225
92.17
mp-867201
-7.587519
-7.764469
2.464827
other
Ca1In1Hg2
4
225
97.66
mp-1186407
-7.770943
-1.860368
4.404911
other
Pa1Sn1Ru2
4
225
74.68
mp-3944
-7.964401
-2.147629
2.946768
other
Zr1Al1Ni2
4
225
56.19
mp-1185400
-8.095091
-6.430849
6.811498
other
Li1Pr2Rh1
4
225
96.63
mp-1184628
-7.876936
-7.169763
5.705165
other
Ho2Tl1Zn1
4
225
97.17
mp-867767
-7.613978
-2.04773
3.970875
other
Be1Si1Rh2
4
225
46.26
mp-865948
-6.370527
-1.700903
4.171112
other
Ti2Re1Rh1
4
225
59.3
mp-865666
-6.679616
-7.268875
2.928846
other
Li2Tl1Ag1
4
225
69.3
mp-37307
11.889491
11.252924
-1.907194
other
Na1W2O6
9
225
113.34
mp-1184434
-8.344738
-3.17319
3.531284
other
Eu1Sn1Rh2
4
225
74.89
mp-864961
-6.753008
-1.762673
3.808162
other
Be2Pd1Pt1
4
225
45.06
mp-1186618
-8.196011
-6.978918
5.490597
other
Pm1Nd1Zn2
4
225
97.36
mp-979962
-7.468922
-7.20175
4.207061
other
Ac1Yb1Cd2
4
225
124.77
mp-4664
-7.991446
-2.067164
3.16404
other
Mn1Ge1Rh2
4
225
55.12
mp-541047
-8.448992
-4.599056
2.8929
other
Zr1Al1Pd2
4
225
66.3
mp-861672
-6.852478
-1.436709
4.197937
other
Ti2Fe1Ir1
4
225
57.06
mp-865944
-7.770411
-2.173803
4.448647
other
Th1Sn1Ru2
4
225
77.79
mp-1185457
-8.703388
-5.708059
6.113441
other
Lu2Co1Cu1
4
225
72.79
mp-862981
-8.119361
-6.5126
5.640024
other
Er2Cd1In1
4
225
100.86
mp-1184627
-8.306565
-7.149738
5.174324
other
Ho2Cd1Hg1
4
225
100.16
mp-865863
-6.749577
-6.948273
2.822742
other
Li2Tl1Pd1
4
225
61.66
mp-1185327
-7.577857
-7.15551
5.706936
other
Li1Dy2Tl1
4
225
104.34