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-1186335
-7.986061
-8.826694
7.039261
other
Nd1Y1Mg2
4
225
114.09
mp-865712
-6.493593
-1.774502
4.092396
other
Ti2Mn1Ni1
4
225
52.68
mp-866295
-8.003444
-8.94865
6.997787
other
Dy1Lu1Mg2
4
225
105.44
mp-975518
-8.00974
-6.543823
5.709461
other
Nd1Lu1In2
4
225
107.31
mp-1183456
-7.131217
-6.664689
3.544579
other
Ca2Ag1Pd1
4
225
93.25
mp-1184567
-6.847945
-2.499958
4.329667
other
Hf2Tc1Ir1
4
225
68.28
mp-1183781
-8.021515
-8.849627
6.549775
other
Dy1Mg2Sc1
4
225
100.57
mp-1184116
-8.160151
-6.921284
5.373708
other
Dy1Tm1Cd2
4
225
100.82
mp-20801
-8.155437
-5.662872
3.117986
other
Li1In2Pd1
4
225
70.53
mp-1111686
9.649874
0.653801
-0.318648
other
Li3Ni1F6
10
225
111.15
mp-1114152
-1.203981
2.725706
-2.52377
other
Rb3Y1I6
10
225
549.5
mp-1185385
-7.163306
-7.379913
4.807171
other
Li1Lu1Tl2
4
225
93.07
mp-5955
8.321463
1.862288
-0.154338
other
Na1Sb1F6
8
225
141.36
mp-862786
-6.692661
-7.370379
4.919718
other
Ac2Cu1Ge1
4
225
113.98
mp-862824
-8.125103
-4.112972
3.278212
other
Pa1In1Pt2
4
225
80.3
mp-867181
-8.123279
-8.058712
3.440777
other
Sm1Mg1Hg2
4
225
93.95
mp-865914
-6.231061
-1.240173
4.067056
other
Ti1V1Tc2
4
225
56.76
mp-1183199
-8.407806
-4.009978
3.737883
other
Ac1Tl1Rh2
4
225
85.02
mp-1185598
-8.887783
-5.316186
6.089432
other
Gd1Lu1Rh2
4
225
80.01
mp-1147705
3.268432
-0.682096
-2.548045
other
Rb2In2H6
10
225
173.25
mp-726178
2.650218
2.976995
-4.199411
other
Pt1N2Cl6
9
225
222.83
mp-865940
-8.885133
-6.256301
2.823527
other
Li1Th1Au2
4
225
87.1
mp-1094092
5.053838
-0.235431
-2.890996
other
Na1P1H6
8
225
102.62
mp-1183885
-6.403093
-6.692444
3.776198
other
Eu2Cd1Ge1
4
225
113.64
mp-5669
0.881154
0.408531
1.231623
other
Ca19Ag8N7
34
225
776.08
mp-570457
-7.790155
-1.740452
2.792175
other
Mg6Si7Ni16
29
225
351.07
mp-983358
-6.784519
-0.081881
4.696302
other
Hf1Al1Fe2
4
225
53.18
mp-1185293
-6.736895
-8.005098
5.088831
other
Li1Ac2Tl1
4
225
137.45
mp-1184409
-7.614251
-6.943784
6.375245
other
Gd2Mg1Cd1
4
225
108.73
mp-1183727
-7.962059
-6.464855
4.527752
other
Ce1Mg1Cd2
4
225
99.36
mp-1187614
-7.949842
-7.799376
3.626108
other
Yb1Lu1Hg2
4
225
99.96
mp-867887
-8.88162
-5.967988
6.425529
other
Sm2Cu1Ir1
4
225
87.14
mp-31173
-7.93547
-6.649507
3.943486
other
Ce1Cd2Ag1
4
225
95.03
mp-1187863
-8.583711
-6.815417
5.336598
other
Y1Tm1Zn2
4
225
88.06
mp-1184091
-9.082641
-6.163159
4.659261
other
Er2Cu1Au1
4
225
84.19
mp-864612
-7.770293
-6.687352
6.171259
other
Nd2Mg1In1
4
225
116.15
mp-867908
-8.147345
-6.070645
1.760121
other
La1Bi1Au2
4
225
101.15
mp-865110
-6.030365
-7.31
2.643754
other
Na1Mg1Tl2
4
225
100.46
mp-978520
-8.864548
-5.502869
6.496532
other
Sm1Dy1Ru2
4
225
81.19
mp-1185625
-8.151045
-3.83192
3.136614
other
Mg1Zr1Pt2
4
225
69.23
mp-1183329
-5.439889
-7.11193
3.050515
other
Ba2In1Hg1
4
225
151.87
mp-631384
-5.179411
-6.880787
4.026284
other
Sr2V1W1
4
225
114.35
mp-976155
-8.972051
-5.287313
5.965462
other
Ho1Lu1Rh2
4
225
75.57
mp-1112970
8.149795
0.565963
1.140078
other
Cs3In1F6
10
225
229.42
mp-1183764
-7.593507
-8.724412
6.44208
other
Ce1Lu1Mg2
4
225
108.14
mp-1110953
-1.172313
2.51309
-2.370733
other
K3Y1I6
10
225
515.35
mp-1184356
-6.972551
-6.964825
3.69926
other
Eu2Zn1Ag1
4
225
107.04
mp-1078913
8.096642
0.804423
1.77771
other
Rb3Ce1F6
10
225
245.34
mp-1183117
-7.48948
-8.622864
6.221016
other
Ac1Ce1Mg2
4
225
131.39
mp-971827
-8.957382
-4.239191
3.078694
other
Zn2Cu1Pt1
4
225
53.96
mp-1205532
8.019302
0.703963
1.559728
other
Rb3Gd1F6
10
225
223.48
mp-1186419
-8.443606
-2.950589
4.052918
other
Pa1Zn1Rh2
4
225
69.27
mp-862446
-7.377356
-1.69723
4.449485
other
Ta1Al1Ru2
4
225
58.23
mp-864971
-7.395968
-1.640965
4.010055
other
Mn1Sn1Ru2
4
225
59.91
mp-865766
-8.281667
-5.360445
2.640271
other
Yb1Hg1Pd2
4
225
76
mp-30504
-7.580217
-8.862096
6.375387
other
Ce1Mg2Cu1
4
225
85.62
mp-1112351
-0.397576
1.071585
-4.73102
other
Cs3Sc1Br6
10
225
448.86
mp-867160
-8.087179
-6.64679
2.497831
other
Li1Cd2Au1
4
225
72.26
mp-866031
-7.314848
-1.469928
4.422287
other
Al2Fe1Ir1
4
225
50.15
mp-865963
-7.870962
-6.74049
2.506946
other
Li1Ga1Ag2
4
225
62.3
mp-865025
-6.087658
-1.797752
4.127381
other
Hf1Ta1Re2
4
225
67.01
mp-505473
-8.10683
0.016394
2.456277
other
Al1Ni20B14
35
225
302.59
mp-863729
-9.040479
-5.923178
6.584261
other
Ho2Os1Pd1
4
225
81.12
mp-1187657
-7.969763
-6.422473
3.89211
other
Yb1Ce1Ag2
4
225
101.88
mp-571513
1.349275
2.411526
-5.175328
other
Rb2Nb1Cl6
9
225
256.53
mp-1008472
-2.915146
-3.942015
0.628456
other
Cd1Si1P2
4
225
69.43
mp-28110
-1.177883
2.984155
-2.984555
other
Rb2Pt1I6
9
225
366.39
mp-865679
-8.397
-4.630793
2.491677
other
Ti1Sn1Pd2
4
225
66.32
mp-865713
-5.860588
-6.327315
0.740341
other
Li2Tl1Bi1
4
225
91.51
mp-977113
-8.531301
-5.628529
1.975503
other
Mg1Pd1Au2
4
225
69.26
mp-1187334
-8.007126
-6.565037
5.760856
other
Tb1Dy1In2
4
225
105.31
mp-977445
-8.526657
-6.307315
6.485862
other
Nd2Zn1Ir1
4
225
93.83
mp-1066751
-4.897331
-7.043521
3.87779
other
Sr2U1Mn1
4
225
136.4
mp-1185224
-7.069603
-5.461437
5.549401
other
Li1Ce2Os1
4
225
86.68
mp-973433
-8.222092
-3.778008
5.115393
other
Lu1Sc1Ru2
4
225
68.72
mp-862623
-8.370565
-2.850058
3.460722
other
Sc1Sn1Rh2
4
225
66.09
mp-1184499
-9.107903
-5.508516
6.263193
other
Gd1Er1Ir2
4
225
79.69
mp-631420
-5.400186
-1.791289
4.433868
other
Ca1Re2Si1
4
225
62.98
mp-1187575
-8.815065
-5.977292
6.703933
other
Tm2Ga1Ru1
4
225
79.61
mp-3909
-7.59894
-1.574506
3.953455
other
Zr1Al1Co2
4
225
55.14
mp-867327
-6.856021
-2.265796
4.336355
other
Hf2Tc1Ru1
4
225
67.46
mp-5396
-6.967943
-1.400915
2.363968
other
Mn1Co2Sb1
4
225
53.31
mp-867210
-5.971995
-7.493416
3.501656
other
Li1Ca2Hg1
4
225
111.74
mp-862733
-6.864317
-6.950135
6.210932
other
Pm2Zn1Si1
4
225
94.19
mp-863744
-7.912436
-6.274645
3.449095
other
Ca2Pd1Au1
4
225
90.42
mp-1183891
-7.546472
-6.773215
3.286843
other
Eu2Ag1Au1
4
225
106.15
mp-866012
-6.513001
-2.738125
4.235097
other
Hf2Zn1Re1
4
225
70.47
mp-863724
-8.336264
-4.81996
2.137277
other
In1Pd2Au1
4
225
67.14
mp-867306
-8.666808
-5.497428
2.652256
other
Al1Cu1Au2
4
225
60.41
mp-1064667
-2.742089
-3.670814
0.820554
other
Zn1Si1P2
4
225
60.18
mp-1207425
-5.290246
-1.23554
4.443619
other
Zr6Be15Ni8
29
225
334.42
mp-1193429
-8.007792
0.363068
3.805331
other
Sc2Co21B6
29
225
294.19
mp-864803
-8.36116
-6.406891
2.785831
other
Na1Ac1Au2
4
225
103.45
mp-1186583
-8.128595
-4.74372
3.657593
other
Pm1Eu1Pt2
4
225
90.79
mp-867251
-8.88271
-4.658154
2.94805
other
Li1Zn2Pt1
4
225
55.05
mp-30388
-8.945767
-6.344463
2.897649
other
Ho1In1Au2
4
225
82.76
mp-865717
-6.406411
-1.589857
4.099318
other
Ti2Re1Ir1
4
225
59.45
mp-20744
-8.043033
-2.214642
3.221975
other
Zr1In1Ni2
4
225
61.6
mp-1206662
-1.379163
2.77629
-2.608258
original
Cs2Ti1I6
9
225
398
mp-1184135
-8.30089
-7.739329
4.619003
other
Dy1Tm1Hg2
4
225
98.53