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-863710
-5.922419
-3.89311
-1.807266
other
K1Ac1Te2
4
225
138.51
mp-1193845
-9.329444
-4.604692
4.504293
other
Ho6Al7Cu16
29
225
466.46
mp-865240
-7.962883
-6.518235
5.889016
other
Lu2Mg1In1
4
225
98.36
mp-1183768
-8.119889
-7.482479
4.268932
other
Ce1Nd1Hg2
4
225
112.16
mp-1183464
-6.534864
-7.397593
3.504099
other
Ca2Zn1Hg1
4
225
102.15
mp-1192607
-7.658581
-9.82298
6.598559
other
La6Mg23C1
30
225
763.06
mp-30648
-7.087712
-10.824158
5.327986
other
Li1Mg2Ga1
4
225
74.49
mp-1186461
-7.835819
-7.153433
5.983105
other
Pm2Ga1Hg1
4
225
104.07
mp-977399
-8.309201
-4.612649
2.528949
other
Li1Mg1Pd2
4
225
57.57
mp-865222
-9.007125
-5.807323
6.590827
other
Dy2Ru1Rh1
4
225
77.69
mp-865977
-8.41479
-7.137452
3.39448
other
Lu1Cd1Ag2
4
225
79.91
mp-644504
-7.99216
-8.133526
5.626579
other
Nd1Mg2Ag1
4
225
93
mp-1184387
-8.915341
-5.717583
6.564975
other
Gd2Ru1Rh1
4
225
80.86
mp-1187427
-6.695194
-1.292423
4.222435
other
Ti2Fe1Os1
4
225
55.29
mp-866009
-7.674451
-2.630517
4.969707
other
Dy1Zr1Ru2
4
225
72.92
mp-1186939
-8.245789
-4.284469
4.666632
other
Sc2Co1Pt1
4
225
67.62
mp-1186594
-8.384139
-6.963366
5.457526
other
Pm1Ho1Zn2
4
225
92.33
mp-1100767
-6.944917
-4.814229
0.812047
other
Tb1Bi1Pd2
4
225
84.47
mp-865369
-9.120008
-6.157876
6.72753
other
Tm2Os1Au1
4
225
80.26
mp-1187583
-8.742111
-5.118216
5.509675
other
Tm2Pt1Rh1
4
225
79.82
mp-1184516
-8.173037
-7.76165
4.485734
other
Gd1Er1Hg2
4
225
103.48
mp-631633
-6.270388
-1.250646
4.254609
other
La1Co1Tc2
4
225
67.11
mp-1212316
-6.676227
-4.404967
0.660746
other
Ho6Sb8Pd16
30
225
569.63
mp-21883
-7.075983
-0.141258
3.535536
other
V1Ga1Fe2
4
225
45.43
mp-867216
-7.254017
-1.52493
4.329565
other
Ta1Fe1Ru2
4
225
58.35
mp-1183962
-6.410181
-7.11427
3.444894
other
Eu2Cd1Pb1
4
225
124.29
mp-1184532
-9.120769
-5.536737
6.340517
other
Gd1Tm1Ir2
4
225
79.06
mp-972183
-8.511898
-4.644579
2.837216
other
Zr1Ga1Pd2
4
225
65.97
mp-1183776
-7.89276
-6.197103
5.238225
other
Ce1Er1In2
4
225
109.47
mp-1183744
-8.094593
-7.790087
3.599069
other
Ce1Mg1Hg2
4
225
98.17
mp-1184090
-7.998828
-6.230762
6.062304
other
Er2Mg1Ga1
4
225
95.27
mp-865607
-8.680223
-4.923577
3.184073
other
Lu1Ga1Pd2
4
225
67.95
mp-1184870
-8.484036
-6.126755
2.042331
other
In1Ag1Au2
4
225
74.17
mp-1187075
-7.925842
-6.666206
5.783362
other
Sm1Gd1In2
4
225
111.57
mp-1187950
-7.785552
-5.616294
3.947922
other
Yb2Zn1Ir1
4
225
81.78
mp-1184276
-5.91595
-0.84136
4.033256
other
Fe1Tc2Ge1
4
225
53.68
mp-865680
-6.821076
-1.571897
4.468141
other
Ti1Si1Os2
4
225
54.3
mp-861973
-9.08013
-6.58277
2.784334
other
Pa1Cd1Au2
4
225
85.01
mp-1187565
-8.891028
-5.286833
5.791049
other
Tm2Ir1Pt1
4
225
79.81
mp-867762
-9.028421
-6.242328
2.904892
other
Dy1Mg1Au2
4
225
81.32
mp-864936
-7.365726
-1.404857
3.981495
other
Mn1Ge1Ru2
4
225
53.28
mp-978908
-8.961753
-5.339143
6.044222
other
Tb1Tm1Rh2
4
225
77.71
mp-1185247
-6.681251
-6.449861
4.536506
other
Li2Ce1In1
4
225
88.46
mp-864962
-7.271724
-7.283993
4.589626
other
Ca1Ac1Zn2
4
225
109.96
mp-863249
-8.537563
-2.798568
3.827821
other
Gd1Ga1Rh2
4
225
67.26
mp-1111070
9.043794
1.207358
0.236747
other
Li3Rh1F6
10
225
122.28
mp-1187424
-6.910738
-1.89018
4.315823
other
Ti2Os1Rh1
4
225
58.86
mp-867771
-7.97891
-2.380961
3.675902
other
Ta1Cu1Rh2
4
225
56.79
mp-631524
-5.243614
-3.678584
-1.48312
other
B1Te2As1
4
225
84.32
mp-1186682
-8.086354
-7.150786
5.228122
other
Pr2Cd1Hg1
4
225
114.59
mp-1183066
-7.323113
-7.536368
4.64947
other
Ac2Zn1Au1
4
225
118.71
mp-978910
-8.935639
-5.449319
6.162961
other
Tb1Y1Rh2
4
225
79.98
mp-1184692
-8.643941
-5.904596
5.909114
other
Ho2Zn1Pt1
4
225
86.32
mp-1185001
-6.038798
-6.866915
4.329536
other
Li2Ac1Al1
4
225
93.18
mp-863741
-8.755088
-6.450768
6.572623
other
Pm2Pd1Ru1
4
225
87.45
mp-1208086
-7.71184
-4.264305
1.363727
other
Tm3P6Pd20
29
225
448.7
mp-1186477
-7.539052
-7.34235
5.871031
other
Pm2Tl1Zn1
4
225
107.24
mp-861733
-6.671021
-3.368594
-0.043484
other
Li1Te1Pd2
4
225
65.73
mp-30661
-8.583878
-4.787143
3.060627
other
Sc1Ga1Pd2
4
225
63.92
mp-1183537
-7.778405
-5.881695
2.307713
other
Cd2Ag1Pt1
4
225
71.72
mp-865597
-8.912627
-6.505643
2.689665
other
Nd1Pb1Au2
4
225
94.35
mp-980069
-8.522234
-4.509871
4.9503
other
Yb1Pr1Rh2
4
225
83.18
mp-1100762
-7.709261
-7.390632
6.096306
other
Pm2Tl1Ag1
4
225
109.5
mp-861896
-7.586946
-7.189394
2.09046
other
Li1Hg2Pd1
4
225
70.76
mp-23950
5.783824
0.544125
-3.064667
other
K2B6H6
14
225
176.23
mp-10895
-6.682964
-1.165902
4.124231
other
Mn2Al1V1
4
225
55.66
mp-1193188
-7.785148
-3.331898
4.96717
other
Hf6Ga16Co7
29
225
433.38
mp-1184740
-8.269583
-7.683332
4.627158
other
Ho1Er1Hg2
4
225
98.43
mp-1187809
-9.009706
-6.304414
2.841376
other
Y1Al1Au2
4
225
79.87
mp-1184611
-7.359884
-3.270445
4.316593
other
Hf2Ni1Ir1
4
225
66.48
mp-1185038
-7.476354
-7.335071
5.428858
other
La1Sm1Tl2
4
225
119.88
mp-863696
-7.118309
-7.15119
6.643534
other
Pm2Mg1Si1
4
225
99.76
mp-1186394
-7.984229
-6.151862
1.540227
other
Pa1Bi1Au2
4
225
91.94
mp-975650
-8.108464
-7.081752
5.26095
other
Pr2Zn1Hg1
4
225
110.26
mp-1110958
-1.158344
2.888337
-2.824813
other
K3Ga1I6
10
225
464.16
mp-862815
-8.803537
-5.989009
3.061079
other
Li1Sc1Au2
4
225
69.81
mp-1187210
-6.304005
-1.807992
4.108707
other
Ta2Tc1Os1
4
225
63.85
mp-865780
-6.958516
-1.267411
4.338316
other
Ti1Mn2Ga1
4
225
57.46
mp-865740
-8.624559
-6.22336
2.688694
other
Yb1Cd1Au2
4
225
85.36
mp-1187585
-9.11896
-6.056316
6.620613
other
Tm2Ru1Au1
4
225
80.38
mp-983587
-6.69052
-7.194422
4.826691
other
Ac2Ni1Ge1
4
225
110.21
mp-1186805
-8.046906
-5.764964
2.489916
other
Pu1Zn1Au2
4
225
82.6
mp-862805
-8.850457
-6.364512
2.715008
other
Pr1Sn1Au2
4
225
91.86
mp-1185076
-7.874805
-6.477376
5.565448
other
La1Ho1In2
4
225
113.54
mp-1112651
-0.465917
1.269675
-4.788094
other
Cs3In1Br6
10
225
441.48
mp-11490
-6.56717
-6.912164
3.03159
other
Li2Zn1Sn1
4
225
68.86
mp-865519
-7.04354
-2.113158
4.310584
other
Y1Ta1Ru2
4
225
69.24
mp-1207764
7.840264
2.336053
-1.047861
other
W1N3F6
10
225
233.33
mp-867422
-8.375564
-6.331882
2.420259
other
Ac1Pb1Au2
4
225
104.5
mp-866205
-6.740396
-4.389556
0.696517
other
Tm1Sb1Pd2
4
225
75.64
mp-1112991
1.403183
2.726681
-5.997283
other
Cs3In1Cl6
10
225
393.36
mp-1187962
-7.286172
-3.729747
1.529309
original
Yb1Bi1Rh2
4
225
74.54
mp-866167
-9.009413
-6.411857
2.844294
other
Gd1Cd1Au2
4
225
85.05
mp-862975
-8.765301
-6.777129
4.661642
other
Pm1Zn2Cd1
4
225
80.59
mp-1111296
1.407663
2.495402
-5.637189
other
K2Tl2Cl6
10
225
352.89
mp-1184716
-8.757483
-5.496556
6.503779
other
Gd1Y1Ru2
4
225
80.27
mp-10883
-7.212619
-0.838267
3.513391
other
Al1Cr1Co2
4
225
46.53
mp-30234
1.41999
2.928501
-5.426656
other
Cs2W1Cl6
9
225
279.48
mp-568452
-6.714502
-3.735441
3.495389
other
Ce6Si22Pt46
74
225
1,241.21
mp-1188022
-8.268165
-2.37843
3.843042
other
Zr1Mn1Rh2
4
225
63.74