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-864610
-7.415647
-6.414218
6.54825
other
Nd2Mg1Al1
4
225
109.46
mp-1187643
-6.367154
-8.730272
5.26922
other
Yb1Eu1Mg2
4
225
124.48
mp-1184223
-8.25087
-3.749788
5.181424
other
Er1Sc1Ru2
4
225
70.08
mp-865079
-8.448278
-4.419406
2.64404
original
Ti1Zn1Pd2
4
225
59.03
mp-1187833
-8.207016
-6.681597
3.985598
other
Yb1Gd1Ag2
4
225
98.19
mp-864981
-9.056574
-6.02475
6.525136
other
Dy2Ag1Ir1
4
225
87.04
mp-974708
-7.565031
-7.355103
5.534201
other
Nd1Tm1Tl2
4
225
110.54
mp-861978
-6.74134
-2.823773
4.25575
other
Hf2Re1Ir1
4
225
68.86
mp-1079140
7.895145
2.590062
-1.306442
other
Al1N3F6
10
225
108.42
mp-1184560
-8.51146
-4.583507
2.847445
other
Hf1Zn1Pd2
4
225
63.91
mp-866296
-8.487928
-4.204473
2.360976
other
Al1Cu1Pd2
4
225
54.4
mp-978505
-8.913125
-5.419115
6.444173
other
Sm1Lu1Ru2
4
225
78.07
mp-985438
-7.724931
-6.553279
4.452444
other
Ce2Cd1Hg1
4
225
114.18
mp-865124
-5.247771
-7.299928
3.465546
other
Na1Sr2In1
4
225
145.52
mp-1184505
-5.969566
-1.657151
4.361931
other
Gd1Pa1Tc2
4
225
80.55
mp-1187125
-5.976924
-7.253771
3.392264
other
Sr2Tl1In1
4
225
136.34
mp-1113313
1.261487
2.072562
-5.488423
other
Na3Tb1Cl6
10
225
302.64
mp-1187616
-8.001061
-7.783992
3.699578
other
Yb1Ho1Hg2
4
225
102.5
mp-567097
-8.790436
-4.888744
3.854015
other
Li1Cu2Ge1
4
225
49.49
mp-977564
-8.052212
-7.739452
3.44856
other
Mg1Sc1Hg2
4
225
82.31
mp-27833
1.670393
2.675197
-5.241812
other
Tl2Te1Cl6
9
225
260.14
mp-1185493
-8.039387
-3.637281
4.61961
other
Lu1Hf1Ir2
4
225
73
mp-864969
-8.101374
-3.743756
3.191629
other
Mg2Pd1Rh1
4
225
60.15
mp-865015
-7.92622
-2.01084
3.464447
other
Mn1Si1Rh2
4
225
52.75
mp-867799
-5.75834
-6.170816
1.067085
other
Ca2Bi1Au1
4
225
109.4
mp-1111079
8.305648
0.926249
1.79961
other
K3Sc1F6
10
225
179.43
mp-862946
-4.411877
-5.353165
5.581377
other
Li2Pm1Si1
4
225
69.09
mp-976744
-7.555386
-7.012734
5.480428
other
Li1Er2Tl1
4
225
101.75
mp-3623
-7.577264
-0.733684
3.600228
other
Mn1Al1Co2
4
225
45.31
mp-1184063
-7.166916
-2.754366
1.805068
other
Dy1Sb1Rh2
4
225
74
mp-4990
-8.117898
-2.486566
3.155171
other
Mn1Sn1Rh2
4
225
61.37
mp-1188021
-8.442834
-2.778215
3.898629
other
Zr1Ga1Rh2
4
225
62.32
mp-977406
-8.521122
-6.214003
6.804547
other
Ho2Al1Os1
4
225
84.47
mp-557912
9.109897
0.327629
0.609795
other
Cs2Mn1F6
9
225
176.74
mp-864623
-8.893532
-5.542951
2.481588
other
Zn1Cu1Au2
4
225
60.19
mp-1185500
-8.414324
-6.916793
3.683037
other
Lu1Mg1Ag2
4
225
80.07
mp-865206
-8.682813
-3.064025
3.853475
other
Tm1Cd1Rh2
4
225
69.73
mp-1183197
-7.440831
-7.888654
2.953737
original
Ac1Sn1Hg2
4
225
112.81
mp-865107
-6.115866
-7.106462
2.528318
other
Na1Mg1Pb2
4
225
104.76
mp-1184717
-8.670094
-5.599779
5.667464
other
Ho2Cu1Pt1
4
225
81.27
mp-863733
-8.725588
-6.555984
6.531972
other
Pm2Ru1Au1
4
225
91.12
mp-861880
-8.743982
-3.333959
3.830985
other
Ac1Cd1Rh2
4
225
82.22
mp-865793
-8.182472
-4.673813
5.041759
other
Li1Sc2Rh1
4
225
70.35
mp-1186929
-5.773697
-7.232866
4.610308
other
Pr1Y1In2
4
225
174.35
mp-865759
-8.625254
-4.081445
4.637572
other
Yb1Hf1Rh2
4
225
71.09
mp-1184390
-7.567321
-7.251302
5.733361
other
Gd2Tl1Zn1
4
225
102.1
mp-865379
-7.673188
-2.103662
4.229155
other
Lu1Sn1Ru2
4
225
68.41
mp-865731
-7.466096
-6.911616
2.496512
other
Li2Hg1Pd1
4
225
59.11
mp-1184850
-8.96997
-5.371695
6.028903
other
Ho1Tm1Rh2
4
225
76.63
mp-1185609
-8.296652
-6.36501
6.638615
other
Li1Gd2Rh1
4
225
88.55
mp-1206368
-8.472588
-5.284743
2.961757
other
Tb1Pd2Pb1
4
225
80.44
mp-1186412
-6.089777
-1.477641
4.249022
other
Pa1Tc2Ge1
4
225
69.77
mp-866064
-9.029349
-6.287139
2.855603
other
Nd1Mg1Au2
4
225
87.78
mp-867174
-6.004923
-7.081471
3.360104
other
Sr1Li2Pb1
4
225
94.42
mp-862860
-8.634882
-6.113029
2.657741
other
Ac1In1Au2
4
225
100.93
mp-1207642
-7.634603
-4.39144
1.391353
other
Yb3P6Pd20
29
225
460.14
mp-862336
-8.496481
-4.345139
4.809062
other
Sc2Ir1Pd1
4
225
68.98
mp-631586
-4.644104
-3.451858
4.130966
other
B2Ir1Cl1
4
225
46.31
mp-1212446
1.294309
2.036056
-5.439429
other
Na6Fe1Cl8
15
225
341.9
mp-1185039
-6.617182
-6.242664
3.862645
other
Li2Ce1Sn1
4
225
81.54
mp-862900
-8.613441
-5.150386
3.417962
other
Pm1Cu2Sn1
4
225
74.8
mp-21067
-9.020544
-4.805099
4.149885
other
Sc1In1Cu2
4
225
64.51
mp-1186306
-8.986561
-6.347306
2.770213
other
Nd1Ga1Au2
4
225
87.23
mp-864978
-8.270094
-6.41463
2.312152
other
Mg2Ag1Au1
4
225
70.23
mp-972370
-7.20439
-6.717674
3.681412
other
Yb2In1Hg1
4
225
108.79
mp-972879
-8.384852
-4.65045
5.008725
other
Sc2Ru1Au1
4
225
71.18
mp-1187467
-7.977665
-5.977658
1.540267
other
Th1Bi1Au2
4
225
99.36
mp-864784
-8.208991
-2.66453
3.311574
other
Li1Sn1Rh2
4
225
58.16
mp-1183078
-6.790841
-7.978349
5.04088
other
Ac2Mg1Pb1
4
225
141.48
mp-979931
-7.111741
-2.202262
4.321584
other
Y1Nb1Ru2
4
225
69.88
mp-1193476
-7.594991
0.287505
3.656337
other
Ti3Co20B6
29
225
289.04
mp-865431
-8.486348
-6.121031
2.661701
other
Yb1Zn1Au2
4
225
78.96
mp-1198014
-6.694139
-3.667552
3.47309
other
Pr6Si22Pt46
74
225
1,243.24
mp-1207621
-8.217806
-4.348017
2.113259
other
Yb3Si6Pd20
29
225
464.02
mp-862790
-6.04143
-0.98305
4.096458
other
Fe1Si1Tc2
4
225
51.47
mp-866143
-7.923862
-2.316402
3.752304
other
Ti1Be1Rh2
4
225
51.03
mp-866155
-7.382621
-1.660595
4.449083
other
Ti1Al1Ru2
4
225
55.58
mp-865329
-8.705541
-6.125186
6.574355
other
Lu2Mg1Tc1
4
225
85.67
mp-865465
-7.089571
-0.892765
3.059544
other
V1Co2Ge1
4
225
46.94
mp-1185061
-8.959135
-5.580171
6.331904
other
La1Sm1Ir2
4
225
89.99
mp-974973
-6.473455
-4.018091
3.668208
other
Hf1Zr1Zn2
4
225
71.75
mp-1184104
-8.098598
-2.754414
3.271681
other
Cu1Rh2Pb1
4
225
61.61
mp-1183557
-7.006547
-9.634461
6.15864
other
Ca1Sm1Mg2
4
225
119.48
mp-1185394
-7.744266
-6.662675
6.497077
other
Li1Gd2Ga1
4
225
96.03
mp-1183527
-7.634486
-6.664324
4.691571
other
Ca1Ce1Cd2
4
225
112.03
mp-1186591
-8.077223
-6.713521
5.869235
other
Pm1Ho1In2
4
225
108.03
mp-980053
-8.743152
-6.233984
2.965317
other
Yb1Pr1Au2
4
225
98.83
mp-1111693
-1.216172
2.567474
-2.429355
other
K3Sc1I6
10
225
483.44
mp-1184816
-7.954805
-7.085636
4.524749
other
Ho1Mg1Cd2
4
225
90.56
mp-977386
-8.523857
-6.151833
6.708405
other
Li1Lu2Tc1
4
225
78.76
mp-1111421
1.192495
2.163545
-5.743668
other
K3Lu1Cl6
10
225
329.28
mp-1187705
-8.949406
-6.015068
6.364426
other
Y2Ir1Au1
4
225
87.51
mp-1186589
-7.671985
-7.457765
5.688995
other
Pm1Ho1Tl2
4
225
110.46
mp-865537
-7.230179
-0.744672
3.707869
other
Ti1Mn1Co2
4
225
50.1
mp-631304
-5.098683
-3.62476
3.308054
other
K1Nb2Se1
4
225
77.14
mp-1186887
-5.302273
-6.433167
0.84216
other
Rb1Na2Bi1
4
225
128.15
mp-861735
-6.783802
-7.582691
4.301878
other
Ac1Mg1Tl2
4
225
118.79
mp-1183055
-5.905676
-3.980418
-1.912228
other
Ac1Hg1Te2
4
225
129.56
mp-1187622
-8.386836
-4.556797
4.800759
other
Yb1Ce1Rh2
4
225
79.53
mp-1183381
-5.371524
-6.928775
3.321349
other
Ba2Zn1In1
4
225
148.08