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-23060
-1.27737
3.098704
-3.024839
other
Cs2Pt1I6
9
225
385.93
mp-631554
-5.420213
-7.199669
3.397739
other
Na2Ti1Au1
4
225
82.6
mp-1187596
-8.678811
-4.947136
3.167926
other
Tm1Ga1Pd2
4
225
70.84
mp-1192963
-7.707705
-9.604907
6.396748
other
Ce6Mg23P1
30
225
757.89
mp-865582
-7.440233
-6.405276
2.979151
other
Li2Cd1Pd1
4
225
59.43
mp-1184489
-8.931468
-5.448375
6.207378
other
Gd1Tm1Rh2
4
225
80.38
mp-867235
-8.499657
-6.278356
6.586755
original
Li1Y2Ir1
4
225
83.96
mp-865971
-6.519998
-6.857361
4.410604
other
Li2Ce1Tl1
4
225
87.64
mp-862712
-8.306088
-4.138031
4.770806
other
Sc2Co1Ir1
4
225
65
mp-1183187
-6.712106
-0.298073
3.861061
other
Al1Fe2Ge1
4
225
45.24
mp-867280
-6.562278
-1.630775
3.797779
other
Be2Ir1Pt1
4
225
44.12
mp-1184758
-4.231321
-7.394549
1.509849
other
K2Hg1Au1
4
225
139.89
mp-867128
-8.815293
-6.106468
6.613509
other
Sm2Pd1Ru1
4
225
87.8
mp-1183808
-9.142072
-5.405554
6.145412
other
Dy1Lu1Ir2
4
225
76.58
mp-672340
-8.212058
-5.064463
3.866653
other
Li1In2Ru1
4
225
69.61
mp-867120
-6.408179
-1.19619
4.422746
other
Ta1Mn2Al1
4
225
53.04
mp-1183906
-6.389047
-6.842424
3.798309
other
Eu2Cu1Rh1
4
225
91.16
mp-1187078
-8.294332
-6.878745
5.0034
other
Sm1Gd1Ag2
4
225
99.12
mp-867817
-8.159305
-7.324476
3.501194
other
La1Tl1Ag2
4
225
95.02
mp-1100772
-7.12816
-1.466893
4.166071
other
Ti1V1Ru2
4
225
55.64
mp-1100769
-7.126841
-7.540254
2.950061
other
Sr1Eu1Hg2
4
225
121.01
mp-864741
-6.56613
-7.124397
3.607632
other
Yb2Tl1Pb1
4
225
117.49
mp-1184587
-6.86623
-2.657774
4.575581
other
Hf2Mn1Os1
4
225
65.61
mp-863739
-8.686003
-3.006553
3.855819
other
Er1Cd1Rh2
4
225
70.17
mp-866146
-8.567159
-6.514922
6.858685
original
Li1Sm2Ir1
4
225
88.55
mp-1209001
-8.2167
-4.504205
1.978222
other
Sm3Ge6Pd20
29
225
483.82
mp-1187720
-8.778158
-6.771069
4.290368
other
Y2Ag1Au1
4
225
93.24
mp-1184497
-8.909011
-5.509464
6.22593
other
Gd1Dy1Rh2
4
225
80.46
mp-977463
-8.297727
-2.176999
3.437317
other
Mg1Mn1Rh2
4
225
57.12
mp-1184086
-7.90573
-6.689047
6.194853
other
Er2Mg1Cd1
4
225
102.45
mp-865354
-9.075726
-5.766223
6.285621
other
Tm2Ir1Pd1
4
225
77.98
mp-1205731
8.083441
0.749005
1.630706
other
K3Sm1F6
10
225
218.37
mp-865097
-8.265161
-5.747325
2.400145
other
Na1Hg1Pd2
4
225
69.48
mp-866211
-8.109906
-6.599765
5.770657
other
Lu2Cd1In1
4
225
97.33
mp-1185129
-8.013495
-6.885174
5.302502
other
La1Pm1Zn2
4
225
100.98
mp-866014
-7.948188
-8.114324
3.866915
original
Ca1Sm1Hg2
4
225
105.99
mp-1184216
-9.032507
-6.225535
3.004513
other
Er1Mg1Au2
4
225
79.87
mp-1187014
-8.537649
-5.176103
5.509399
other
Sm1Eu1Rh2
4
225
86.2
mp-1186623
-7.985945
-7.964103
4.531657
other
Pm1Gd1Hg2
4
225
106.53
mp-12609
-5.272959
-7.165432
3.80275
other
Li1Ca6Ge1
8
225
264.8
mp-1113118
8.528952
0.499659
1.511456
other
Cs3Al1F6
10
225
197.87
mp-978519
-7.679071
-6.527245
6.506796
other
Sm2Al1Cd1
4
225
106.31
mp-1185375
-8.770225
-6.36264
3.046518
other
Li1La1Au2
4
225
90.61
mp-1184105
-7.900787
-7.234712
5.714708
other
Dy2Tl1Hg1
4
225
103.38
mp-1187348
-8.947428
-5.314825
6.013506
other
Tb1Ho1Rh2
4
225
78.89
mp-864877
-6.650724
-2.663668
4.259233
other
Hf2Co1Re1
4
225
66.41
mp-865021
-6.681095
-1.413987
4.055273
other
Be2Ru1Pt1
4
225
43.82
mp-865173
-7.542263
-8.049276
3.425888
original
Ca1Ac1Hg2
4
225
120.5
mp-865909
-7.060539
-6.563736
3.543057
other
Yb2Hg1Ge1
4
225
98.21
mp-865338
-8.625643
-5.938067
6.000825
other
Tm2Zn1Pt1
4
225
82.18
mp-1185062
-7.266246
-6.628127
5.848671
other
La2Mg1Cd1
4
225
122.71
mp-1214905
-5.835246
-3.934944
5.723205
other
Al20Co3B6
29
225
366.24
mp-22221
-8.773014
-4.662652
2.997391
other
Mn1Cu2Sn1
4
225
60.83
mp-30342
-8.537632
-6.99899
3.471898
other
Ho1In1Ag2
4
225
82.8
mp-614489
-8.994947
-5.080518
4.318654
other
Gd1In1Cu2
4
225
74.39
mp-864989
-6.800562
-0.930115
4.063724
other
Mn2Al1Re1
4
225
48.73
mp-1111067
9.935563
2.157666
1.721628
other
Li3V1F6
10
225
117.36
mp-1205840
1.607666
2.814545
-5.425146
other
Cs2Tc1Cl6
9
225
278.38
mp-1019564
-5.200376
-6.715616
3.404672
other
Ca6Ge2O1
9
225
222.87
mp-1187718
-8.678051
-6.126102
6.531038
other
Y2Cu1Os1
4
225
81.01
mp-1111175
1.154031
2.183786
-5.786438
other
K3Dy1Cl6
10
225
352.59
mp-1111072
10.183483
0.443649
0.69095
other
Li3Mn1F6
10
225
116.95
mp-1183859
-7.583439
-8.687898
6.455424
other
Ce1Ho1Mg2
4
225
111.2
mp-1007924
-8.251956
-3.997496
4.081028
other
Cr1Cu2Si1
4
225
50.44
mp-862949
-7.171875
-7.378787
5.067282
other
Na1Pm1Tl2
4
225
108.86
mp-1193971
-7.809495
0.282594
3.593468
other
In3Co20B6
29
225
304.93
mp-20840
-7.51512
-1.381647
2.862623
other
Mn1Co2Sn1
4
225
52.8
mp-571648
1.702731
2.706162
-5.571642
other
Rb2Mn1Cl6
9
225
241.76
mp-1078490
8.122615
2.330827
-1.150188
other
Sc1N3F6
10
225
119.75
mp-1111933
1.24565
1.978983
-5.414159
other
Na3Ce1Cl6
10
225
320.8
mp-975972
-7.974108
-8.92304
6.965403
other
Pr1Lu1Mg2
4
225
111.28
mp-864806
-7.611173
-7.965487
3.282727
other
Na1Ac1Hg2
4
225
115.41
mp-505391
1.454818
2.357363
-5.51537
other
Li6Co1Cl8
15
225
272.9
mp-865319
-8.987281
-6.157329
6.704875
other
Tm2Cu1Ru1
4
225
75.67
mp-1184306
-6.815553
-5.140881
0.870079
other
Eu1Bi1Pd2
4
225
86.06
mp-862256
-8.857291
-4.814316
2.818131
other
Cu2Pd1Au1
4
225
55.31
mp-1185359
-7.178171
-10.635589
5.053041
other
Li1Mg2Cd1
4
225
78.65
mp-865964
-6.135509
-6.925402
3.324979
other
Li2Ca1Sn1
4
225
82.36
mp-862849
-7.477767
-6.64705
5.062155
other
Ac2Ni1Ir1
4
225
100.33
mp-21148
-9.091962
-5.090646
4.336952
other
Pr1In1Cu2
4
225
79.06
mp-1186322
-7.982735
-6.695273
5.733655
other
Nd2Zn1In1
4
225
109.22
mp-1187068
-5.796957
-7.222745
3.278847
other
Sr2Ga1Hg1
4
225
123.24
mp-1186630
-8.149609
-6.972266
5.557311
other
Pm1Pr1Zn2
4
225
98.55
mp-865317
-8.652378
-5.643988
5.69828
other
Tm2Cu1Pt1
4
225
78.81
mp-865830
-9.039016
-6.04524
6.643199
other
Lu2Cu1Os1
4
225
73.71
mp-866289
-6.341452
-7.543101
5.319341
other
Ac2Zn1Si1
4
225
115.89
mp-1209302
1.588512
2.752336
-5.34076
other
Rb2Tc1Cl6
9
225
251.02
mp-863697
-6.697982
-6.962794
6.324025
other
Li1Pm2Si1
4
225
94.47
mp-866156
-8.551158
-2.804495
3.839648
other
Y1Ga1Rh2
4
225
65.97
mp-984721
-7.582365
-1.084418
3.479586
other
Be1Ga1Co2
4
225
40.52
mp-1184102
-8.173425
-6.766428
5.547651
other
Er2In1Hg1
4
225
100.46
mp-1185317
-5.990689
-1.455028
4.441016
other
Li1Be2Pt1
4
225
42.4
mp-1187785
-6.553477
-6.715295
4.162346
other
Yb1Eu1Ga2
4
225
97.46
mp-861663
-8.157807
-2.841282
3.138309
other
Li1Rh2Pb1
4
225
61.82
mp-865499
-6.492313
-0.913945
3.825532
other
V2Tc1Os1
4
225
54.39
mp-1185957
-8.407405
-3.745555
4.241655
other
Mg1Sc1Ir2
4
225
62.93
mp-1184470
-7.880859
-6.785037
5.94954
other
Gd2Zn1In1
4
225
101.44
mp-865413
-9.025347
-5.898198
6.454574
other
Lu2Tc1Pd1
4
225
77.64
mp-862884
-8.438772
-5.998818
4.212618
other
Ca1Pm1Pd2
4
225
89.03
mp-864650
-6.128572
-1.692186
3.94473
other
Ta2Os1W1
4
225
65.53