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-862781
-7.323019
-1.47879
4.163441
other
Al1Cr1Ru2
4
225
52.4
mp-865158
-7.964303
-7.710555
3.673564
other
Yb1Nd1Hg2
4
225
109.29
mp-979989
-8.003962
-5.947109
3.254316
other
Yb2Ag1Pd1
4
225
90.53
mp-1187727
-7.228568
-7.06742
4.242233
other
Yb1Eu1Zn2
4
225
99.28
mp-1185130
-7.690418
-8.68976
6.755017
other
La1Tm1Mg2
4
225
114.54
mp-631325
-6.227033
-1.987951
4.056841
other
Sc1Hg1W2
4
225
72.76
mp-1222899
-3.585558
1.844893
2.954368
other
La1Ce1B12
14
225
141.86
mp-1184856
-7.666633
-2.148919
4.24327
other
Ho1Sn1Ru2
4
225
71.95
mp-1183566
-7.992448
-8.109543
3.853018
other
Ca1Tb1Hg2
4
225
102.89
mp-1184144
-8.973332
-5.427337
6.075769
other
Er2Ru1Pt1
4
225
77.86
mp-1187355
-7.301084
-7.355995
4.9937
other
Tb1Mg1Tl2
4
225
104.78
mp-1206257
8.282842
2.219872
-1.132643
other
Sn1N2F6
9
225
132.39
mp-862889
-8.400976
-7.027642
3.263977
other
Pm1Cd1Ag2
4
225
87.65
mp-1186492
-6.018924
-1.463887
4.283886
other
Pa1In1Tc2
4
225
73.8
mp-862561
-7.0954
-2.16063
3.239681
other
Sc1Sb1Ru2
4
225
64.09
mp-867193
-5.54449
-6.33072
1.130949
other
Sr2Bi1Au1
4
225
127.08
mp-978095
-7.450942
-6.797064
5.906821
other
Pr2Cd1Pb1
4
225
120.13
mp-1184738
-8.141353
-6.49471
5.735643
other
Ho1Er1In2
4
225
102.53
mp-1184291
-6.508554
-6.848825
3.317947
other
Eu2Zn1Sn1
4
225
115
mp-642331
-5.104126
-6.598851
2.991181
other
Ca19In8N7
34
225
794.81
mp-865441
-8.46331
-4.583859
2.72969
other
Ti1Al1Pd2
4
225
59.99
mp-1185435
-8.380384
-6.071612
2.813277
other
Li1Yb1Au2
4
225
80.97
mp-973603
-8.756248
-6.155544
5.422923
other
Lu2Zn1Pd1
4
225
80.99
mp-867835
-7.214169
-1.625652
4.371219
other
Be1Si1Ru2
4
225
46.16
mp-1194195
-8.100435
-3.361825
5.017944
other
Zr6Ga16Ir7
29
225
483.5
mp-862958
-8.432804
-3.097616
3.341401
other
Pm1Rh2Pb1
4
225
78.46
mp-1195752
-5.420415
-4.23518
0.521745
other
Sr7Cu44As23
74
225
1,180.88
mp-865127
-6.349556
-7.32989
2.356556
other
Na1Tl2Cd1
4
225
104.4
mp-1112342
1.256161
2.541186
-6.142027
other
Cs3Tm1Cl6
10
225
408.56
mp-973286
-8.307636
-6.229225
6.27538
other
Li1Lu2Pd1
4
225
82.29
mp-864618
-6.755728
-7.412646
2.412963
other
Ba1Hg2Pb1
4
225
123.26
mp-862872
-8.900359
-6.324177
2.663569
other
Pm1Ag1Au2
4
225
85.14
mp-865879
-7.918296
-6.458395
2.439721
other
Li2Ag1Au1
4
225
59.61
mp-1110568
8.701103
1.478949
0.902582
other
Na3Ir1F6
10
225
140.21
mp-19963
-6.733429
-0.473075
3.584879
other
Ti1Fe2Sn1
4
225
53.81
mp-867242
-8.087179
-5.391748
5.032179
other
Sc2Zn1Ga1
4
225
74.07
mp-1186598
-9.046282
-5.562175
6.204185
other
Pm1Ho1Ir2
4
225
82.33
mp-30044
-7.143068
-0.217949
3.239492
other
Fe2Co1Ge1
4
225
46.96
mp-22712
-8.444453
-5.267977
2.850742
other
Y1Pd2Pb1
4
225
80.25
mp-1187601
-7.815324
-7.148508
5.677767
other
Tm2Tl1Zn1
4
225
94.64
mp-1185012
-7.495227
-7.309163
5.439889
other
La1Er1Tl2
4
225
115.16
mp-862602
-7.839478
-1.420428
4.310236
other
Sc1Al1Co2
4
225
51.99
mp-1206568
1.615916
2.757048
-5.677413
other
Cs2Pd1Cl6
9
225
274.47
mp-865029
-7.879628
-2.010865
4.776381
other
Li1Pa1Ru2
4
225
64.28
mp-1185870
-8.295758
-4.34201
2.07095
other
Mg1Ge1Pd2
4
225
60.5
mp-865997
-8.135651
-6.81213
4.741175
other
Yb1Pr1Zn2
4
225
98.85
mp-1110887
1.337663
2.530122
-5.802577
other
K3Bi1Cl6
10
225
355.1
mp-978516
-8.314427
-7.593058
3.305068
other
Sm1Ag2Hg1
4
225
89.36
mp-1183588
-7.580203
-7.842476
3.314859
other
Ca1Yb1Hg2
4
225
107.87
mp-1206748
-5.869244
-5.434649
0.685377
other
Li2Co1Sb1
4
225
61.69
mp-1206609
-6.765147
-0.992513
3.942519
other
Mn2V1In1
4
225
61.07
mp-1187326
-8.135563
-4.125119
3.343623
other
Tb1Cd1Pt2
4
225
77.22
mp-972046
-6.101842
-6.205215
1.650291
other
Yb2Hg1Bi1
4
225
116.34
mp-1184415
-8.716948
-6.395076
6.838633
other
Gd2Ag1Ru1
4
225
87.91
mp-1111425
8.406902
1.194916
0.691604
other
K3Ir1F6
10
225
184.48
mp-984352
-7.451277
-1.419405
4.458942
other
Al2Co1Os1
4
225
50.08
mp-976072
-6.583477
-8.007652
5.046478
other
Na1Ac2Pb1
4
225
144.13
mp-11305
-6.556473
-7.098142
2.903513
other
Li2Cd1Pb1
4
225
78.3
mp-866096
-7.79546
-1.542712
3.921564
other
Hf1Zn1Co2
4
225
52.3
mp-867872
-7.878536
-6.816506
2.341496
other
Li1Cd1Ag2
4
225
69.68
mp-1186626
-7.914099
-8.688346
6.816375
original
Pm1Pr1Mg2
4
225
117.87
mp-866160
-8.97251
-6.171385
6.581936
other
Y2Ag1Ir1
4
225
86.12
mp-862554
-8.812471
-6.055627
6.460752
other
Li1Er2Ir1
4
225
80.1
mp-861929
-6.290115
-4.462063
2.099421
other
Pu2Bi1Au1
4
225
106.9
mp-1183185
-8.498161
-6.143369
2.981869
other
Ac1Yb1Au2
4
225
107.49
mp-980947
-6.959793
-7.628087
2.889003
other
Sr1Ca1Hg2
4
225
116.35
mp-27828
1.45562
2.686358
-5.537519
other
Cs2Ti1Cl6
9
225
277.05
mp-623134
-8.714038
-4.968424
4.209819
other
Zr1In1Cu2
4
225
65.18
mp-1183546
-8.589702
-4.967432
5.439864
other
Ca1Tb1Rh2
4
225
78.59
mp-865113
-8.72776
-6.378516
2.954755
other
Na1Nd1Au2
4
225
91.6
mp-973088
-7.908896
-6.784502
2.286979
other
Mg1In1Ag2
4
225
75.03
mp-972869
-8.110186
-4.592612
4.487421
other
Sc2Ga1Pt1
4
225
73.16
mp-980749
-7.230036
-1.100231
4.040716
other
V1Fe1Ru2
4
225
53.22
mp-1186351
-7.985654
-6.593395
5.749154
other
Nd1Sm1In2
4
225
113.51
mp-1211612
8.486134
1.182786
1.938132
other
K2Dy6F20
28
225
381.37
mp-1186672
-8.359934
-6.990196
5.357493
other
Pm1Y1Zn2
4
225
93.78
mp-1205612
8.033073
0.717863
1.618554
other
Rb3Sm1F6
10
225
239.28
mp-505537
-7.719221
0.284309
3.587297
other
Al3Co20B6
29
225
286.4
mp-1114197
-1.232355
3.177961
-3.096352
other
Cs3Ga1I6
10
225
532.9
mp-865935
-6.257684
-7.00901
2.949938
other
Li2Mg1Sn1
4
225
72.38
mp-866138
-7.06513
-1.935043
3.415851
other
Lu1Sb1Ru2
4
225
67.37
mp-984720
-4.729519
-6.198802
1.128636
other
Ba2Ag1Sb1
4
225
146.19
mp-1184462
-7.292823
-7.463065
2.503738
other
Eu1Hg2Pb1
4
225
108.85
mp-1184972
-5.991243
-6.12535
0.537193
other
Li2In1Bi1
4
225
88.11
mp-867846
-5.958688
-1.544304
4.054221
other
Ta1Ti1Re2
4
225
62.74
mp-1186208
-6.003029
-1.652716
3.924301
other
Nb2Re1Tc1
4
225
65.26
mp-1100781
-8.317759
-2.005385
3.042295
other
Zr1Zn1Ni2
4
225
55.3
mp-865501
-6.431135
-0.871818
3.729623
other
V2Tc1Ru1
4
225
53.99
mp-1186940
-8.259381
-4.505105
4.848706
other
Sc2Co1Cu1
4
225
65.31
mp-1185546
-4.862624
-6.352205
0.858471
other
Cs1Rb2Bi1
4
225
187.36
mp-5077
-5.436528
-5.905243
0.556497
other
Na1Li2Sb1
4
225
78.46
mp-1183612
-5.327726
-7.479685
4.102768
other
Ca1Yb1Eu2
4
225
165.09
mp-865895
-7.380701
-1.516299
4.319714
other
Ga1Ge1Ru2
4
225
54.1
mp-1186651
-7.660256
-7.451313
5.649163
other
Pm1Sm1Tl2
4
225
114.43
mp-1186139
-5.598456
-7.405065
3.47436
other
Na1Eu2Tl1
4
225
133.57
mp-983126
-8.66856
-6.835435
5.338844
other
Ho1Tm1Zn2
4
225
86.64
mp-861460
-5.923995
-3.812776
-1.843701
other
Ac1In1Te2
4
225
133.1
mp-1208056
-8.20025
-4.388197
2.18023
other
Tm3Si6Pd20
29
225
452.35
mp-867245
-8.234608
-7.969571
3.252874
other
La1Ag1Hg2
4
225
97.38
mp-983444
-8.234561
-6.75043
4.96287
other
Li1Pm1Zn2
4
225
79.68