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-865470
-6.888385
-7.578253
4.646637
other
Ac2Cu1Sn1
4
225
126.2
mp-975656
-8.708477
-6.034446
6.55099
other
Pr2Ni1Ir1
4
225
89.92
mp-1186209
-6.332603
-1.791119
3.925186
other
Nb2Tc1Ru1
4
225
64.22
mp-865507
-7.139412
-1.494033
4.200685
other
V1Si1Ru2
4
225
51.53
mp-971702
-7.825997
-6.882781
4.518656
other
Yb1Nd1Cd2
4
225
112.46
mp-1185902
-7.066046
-1.792573
4.442411
other
Mg1Nb1Os2
4
225
62.83
mp-631473
-5.492755
-4.382667
3.768953
other
K1Ti2Bi1
4
225
91
mp-1187097
-6.746677
-5.826273
3.319924
other
Sr2Pd1Pt1
4
225
102.12
mp-981397
-7.259895
-9.021412
6.153904
other
Yb1Pr1Mg2
4
225
121.34
mp-867265
-8.652276
-6.349679
6.894133
other
Li1Tm2Os1
4
225
78.55
mp-631346
-8.687593
-3.105171
3.962045
other
Sr1Ni1Ir2
4
225
70.48
mp-1186772
-6.088717
-1.874285
4.045623
other
Ta2Cr1Re1
4
225
62.28
mp-1185360
-8.04899
-2.057028
3.728535
other
Li1Mn1Ir2
4
225
51.07
mp-1192479
-8.128559
-4.501755
4.047016
other
Hf6Ga16Pd7
29
225
483.8
mp-580140
-7.107144
-1.103951
3.455175
other
Nb6Co16Ge7
29
225
363.23
mp-867197
-8.339376
-1.679276
2.931938
other
Li1Ga1Ni2
4
225
44.51
mp-862339
-8.242615
-5.672818
4.457822
other
Sc2Ga1Ag1
4
225
77.89
mp-1184620
-7.060571
-3.194439
4.321206
other
Hf2Co1Cu1
4
225
64.82
mp-861954
-7.259346
-1.758767
4.44497
other
Li1Ta1Ru2
4
225
56.3
mp-1184170
-8.343512
-6.777839
5.717654
original
Dy2In1Ag1
4
225
100.58
mp-19834
-8.786934
-5.15109
4.242876
other
Ce1In1Cu2
4
225
76.77
mp-636619
-7.793184
-4.367453
5.688522
other
Gd2Mn1Ga6
9
225
168.13
mp-1006278
-8.482122
-6.316527
2.822366
other
Ac1Eu1Au2
4
225
111.26
mp-1184097
-8.676824
-5.786768
6.375786
other
Er2Cu1Tc1
4
225
78.87
mp-1214241
-5.189247
-1.505608
4.341952
other
Be15Nb6Cu8
29
225
316.09
mp-1184979
-6.637857
-7.037926
2.786574
other
Li2Ag1Pb1
4
225
74.59
mp-972119
-6.042217
-7.389268
3.278117
other
Sr1Ca1Tl2
4
225
125.87
mp-861900
-8.520845
-6.06652
2.386799
other
Li1Ga1Au2
4
225
61.74
mp-1187868
-8.93323
-5.400047
6.114118
other
Y1Lu1Rh2
4
225
76.65
mp-1111149
1.641533
2.56983
-5.103599
other
Li3Sb1Cl6
10
225
271.66
mp-864653
-9.021474
-6.194626
2.915898
other
Ho1Mg1Au2
4
225
80.57
mp-1112177
-0.397304
1.344754
-4.737403
other
Cs2Tl2Br6
10
225
400.01
mp-983586
-6.572018
-7.682364
5.392297
other
Ac2Si1Hg1
4
225
123.05
mp-555506
8.832352
1.780377
1.316173
other
Zr1Cr1F6
8
225
143.86
mp-863250
-6.399809
-0.80912
3.983018
other
Ta1Mn2Ge1
4
225
51.71
mp-865884
-8.470009
-2.992366
3.899053
other
Lu1In1Rh2
4
225
68.97
mp-867308
-8.475043
-4.538073
2.34167
other
In1Cu1Pd2
4
225
61.4
mp-1205960
8.51047
1.141611
0.844355
other
K2Sn1F6
9
225
148.03
mp-866150
-8.32383
-6.524209
7.046813
other
Li1Sm2Os1
4
225
87.19
mp-865368
-9.073474
-6.091823
6.865507
original
Tm2Ni1Os1
4
225
73.53
mp-568880
-8.595022
-5.045617
3.226559
other
Y1In1Pd2
4
225
77.2
mp-1184742
-7.638288
-2.748519
5.002639
other
Gd1Zr1Ru2
4
225
74.16
mp-1114151
-1.174209
3.029107
-3.007844
other
Rb3Tl1I6
10
225
544.41
mp-862947
-5.062925
-6.373283
1.382986
other
Ba2Bi1Au1
4
225
147.76
mp-861893
-6.28988
-6.833692
4.00861
other
Li2La1Pb1
4
225
89.02
mp-1184096
-8.229913
-7.08494
5.140376
other
Er2Cd1Hg1
4
225
98.6
mp-865094
-6.084774
-1.829433
4.172204
other
Hf1Nb1Tc2
4
225
66.33
mp-1025509
8.455818
1.482596
0.965732
other
Zr1Zn1F6
8
225
130.79
mp-1184362
-8.041985
-7.220554
5.480012
other
Gd2Cd1Hg1
4
225
104.97
mp-1193149
-5.516675
-0.271693
3.315192
other
Cr3W20C6
29
225
390.19
mp-23425
1.465201
2.695023
-5.73099
other
Cs2Pb1Cl6
9
225
293.46
mp-1186510
-7.983696
-6.563208
5.747358
other
Pr1Sm1In2
4
225
114.92
mp-21628
-6.612128
-1.662934
1.506755
other
Mn6Ni16As7
29
225
363.54
mp-1110924
-0.40551
1.189198
-4.45919
other
K3Sb1Br6
10
225
417.86
mp-1206273
10.230983
8.877751
2.357973
other
Ba3U1O6
10
225
198.21
mp-866087
-7.910931
-2.182914
3.603607
other
Mg1Si1Rh2
4
225
52.81
mp-863702
-7.985454
-6.517236
5.835959
other
Er2Mg1In1
4
225
101.81
mp-864611
-8.84334
-5.606989
6.261202
other
Nd2Ir1Rh1
4
225
89.23
mp-867118
-8.79826
-6.289264
2.756088
other
La1Sn1Au2
4
225
94.02
mp-862721
-5.912671
-7.247412
3.254469
other
Sr2Cd1Pb1
4
225
134.97
mp-1186307
-8.024839
-8.738853
6.986563
other
Nd1Ho1Mg2
4
225
112.48
mp-631305
-5.611988
-1.696387
3.351297
other
Ga2W1Se1
4
225
69.87
mp-865894
-8.711761
-6.168672
3.001137
other
Yb1Pm1Au2
4
225
96.83
mp-865959
-8.49719
-6.247894
6.821338
other
Li1Ho2Ru1
4
225
81.24
mp-1185064
-7.244898
-9.266967
6.254404
other
La1Yb1Mg2
4
225
123.47
mp-865548
-7.431272
-1.54918
3.668279
other
Ti1In1Co2
4
225
55.58
mp-865337
-9.008413
-5.511151
6.170911
other
Lu2Ni1Ir1
4
225
72.13
mp-1186619
-7.373781
-6.290307
6.609172
other
Pm1Gd1Al2
4
225
98.11
mp-972960
-8.556141
-5.849415
6.05664
other
La2Ir1Au1
4
225
100.37
mp-1186001
-8.576593
-4.051262
2.122401
other
Mn1Zn1Pd2
4
225
57.86
mp-1183274
-5.004953
-7.071812
3.374039
other
Ba2Mg1In1
4
225
159.2
mp-4583
-7.111591
-1.480846
3.282906
other
Nb1Co2Sn1
4
225
58.98
mp-1184039
-7.635125
-6.383356
3.222995
other
Eu2Pd1Au1
4
225
101.81
mp-1185760
-7.771449
-7.039748
2.579472
other
Mg2Hg1Au1
4
225
75.42
mp-631386
-7.456215
-9.244387
6.457098
other
Mg2Nb1Fe1
4
225
64.9
mp-1187185
-7.289697
-7.798294
2.474791
other
Sr1Mg1Hg2
4
225
103.8
mp-867275
-7.126022
-1.153247
4.177249
other
Be1V1Os2
4
225
49.87
mp-1184495
-8.130219
-7.966549
3.437713
other
Gd1Mg1Hg2
4
225
92.43
mp-867151
-7.54127
-2.067512
5.011991
other
Sc1Pa1Os2
4
225
75.25
mp-1111489
8.208174
0.788154
1.173121
other
K3In1F6
10
225
196.74
mp-862797
-5.908166
-3.875239
-1.708638
other
Rb1Ac1Te2
4
225
143.15
mp-867361
-8.781635
-6.423229
2.874964
other
Ce1Tl1Au2
4
225
93.47
mp-862913
-8.771511
-3.403294
3.464113
original
Pm1Hg1Rh2
4
225
75.13
mp-1192426
-9.191021
-6.2678
4.629794
other
Er6Zn23Ge1
30
225
519.19
mp-976265
-6.864486
-2.734896
4.313601
other
Hf2Os1Pd1
4
225
69.99
mp-2987
-6.300236
-7.328607
3.286026
other
Li2Mg1Tl1
4
225
73.59
mp-972907
-8.248026
-5.578228
4.65245
other
Sc2Al1Ag1
4
225
80.07
mp-982015
-7.683247
-8.441833
6.753009
other
La1Dy1Mg2
4
225
116.41
mp-1187433
-6.427005
-1.765313
4.319299
other
Ti2Mn1Tc1
4
225
58.95
mp-867282
-9.062208
-5.428177
6.200575
original
Tb2Ir1Rh1
4
225
80.15
mp-23505
-0.570748
1.22194
-4.273419
other
K2Te1Br6
9
225
326.73
mp-1187725
-7.695806
-7.251284
5.655265
other
Y2Tl1Zn1
4
225
99.76
mp-1185662
-7.587171
-7.230278
2.780489
other
Mg2Cd1Ag1
4
225
77.19
mp-1185045
-8.87305
-5.569079
6.260448
other
La1Pr1Ir2
4
225
92.45
mp-643101
3.357818
-0.60812
-2.454093
other
Rb2H6Pt1
9
225
154.7
mp-1184981
-6.115084
-6.967483
3.776991
other
Li2Nd1Pb1
4
225
86.82
mp-1185422
-8.215042
-6.698416
2.767725
other
Li1Zn2Ag1
4
225
58.91
mp-982883
-7.986176
-6.708791
2.450961
other
Na6Cd16Au7
29
225
636.2
mp-861992
-6.495415
-2.787324
1.510395
other
Pa1Ni2Sb1
4
225
68.59
mp-862990
-7.83198
-6.970872
5.684843
other
Pm2Ag1Sn1
4
225
108.16