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-1110735
-0.591363
1.312092
-4.480735
other
Rb3As1Br6
10
225
413.26
mp-20898
-8.497808
-7.002946
3.460015
other
Dy1In1Ag2
4
225
83.44
mp-1112602
8.155802
0.937387
1.105184
other
Cs3Sb1F6
10
225
257.81
mp-864800
-8.303173
-5.701635
3.189058
other
Yb2Pd1Au1
4
225
87.98
mp-1065288
-8.923796
-6.407927
2.87293
other
Gd1In1Au2
4
225
85.54
mp-861960
-8.489999
-6.367015
2.60166
other
Ca1In1Au2
4
225
85.58
mp-976793
-7.981533
-6.280818
6.138037
other
Li1Er2Ga1
4
225
91.07
mp-643279
3.281943
-0.601067
-2.403315
other
K2H6Pt1
9
225
133.85
mp-1183584
-8.419703
-5.103432
5.455881
other
Ca1Pr1Rh2
4
225
85.94
mp-862830
-8.968907
-6.667803
2.831522
other
Pa1Tl1Au2
4
225
87.73
mp-1112348
1.241769
2.528003
-6.104651
other
Cs3Sm1Cl6
10
225
418.59
mp-1018082
-6.95622
-1.215373
2.585482
other
Cr1Co2Sb1
4
225
54.27
mp-864930
-7.922827
-2.364905
4.001386
other
Li1Ti1Ir2
4
225
54.03
mp-20358
-8.499739
-5.529124
2.984279
other
U1In1Au2
4
225
87.43
mp-4922
-7.935946
-1.457791
2.749864
other
Mn1Al1Ni2
4
225
47.91
mp-20228
-7.896515
-1.480115
2.697167
other
Mn1Ga1Ni2
4
225
47.98
mp-863704
-7.663622
-7.378818
6.021059
other
Pm2Mg1Tl1
4
225
114.81
mp-978522
-9.079488
-5.582227
6.303959
other
Sm1Y1Ir2
4
225
83.82
mp-865664
-5.956853
-0.69854
3.61271
other
Ti1Re2W1
4
225
60.86
mp-975883
-8.163107
-7.615568
4.612725
other
Pr1Nd1Hg2
4
225
112.19
mp-861481
-8.443173
-6.405015
6.728482
other
Pr2Ag1Ru1
4
225
97.3
mp-981377
-6.066154
-0.870809
3.76496
other
V2Re1Tc1
4
225
55.02
mp-1185181
-8.0363
-4.790495
3.768755
other
La1Eu1Pt2
4
225
95.83
mp-866080
-7.698369
-6.101332
4.900799
other
Mg1Sc2Tl1
4
225
90.56
mp-1184388
-7.896036
-6.67949
6.119564
other
Gd2Zn1Ga1
4
225
92.65
mp-1184579
-6.628204
-3.784709
3.588344
other
Hf1Ti1Zn2
4
225
65.72
mp-862875
-9.006888
-6.28859
2.614002
other
Th1Ga1Au2
4
225
86.77
mp-1186452
-8.383615
-6.533424
5.47952
other
Pm2Cu1Au1
4
225
94.64
mp-1111891
1.303483
2.050767
-5.488907
other
Na3Lu1Cl6
10
225
290.1
mp-867138
-8.519628
-6.296859
2.608193
other
Eu1Sn1Au2
4
225
91.23
mp-1183877
-6.308358
-7.031514
3.875159
other
Eu2Cd1Ga1
4
225
113.08
mp-1187231
-5.708344
-7.093807
3.651075
other
Sr2Zn1In1
4
225
126.06
mp-865810
-6.020045
-0.984891
3.979488
other
Ti1Tc2W1
4
225
59.84
mp-1185765
-8.240322
-4.486809
3.284048
other
Mg2Ir1Au1
4
225
65.5
mp-23512
8.871235
14.688887
-0.925988
other
Mn16Cl6O20
42
225
581.14
mp-1211478
8.520459
1.129154
2.030748
other
K2Ho6F20
28
225
375.07
mp-1186958
-8.381198
-4.373818
4.793095
other
Sc2Cu1Rh1
4
225
67.46
mp-1183192
-6.805811
-7.51624
4.33646
other
Ac1Yb1Tl2
4
225
131.46
mp-1185389
-8.116648
-6.399919
6.819823
other
Li1Nd2Rh1
4
225
94.9
mp-973256
-7.210724
-7.354695
4.975923
other
La1Mg1Tl2
4
225
112.7
mp-1184345
-9.023175
-5.246995
5.959573
other
Er1Lu1Rh2
4
225
74.97
mp-867121
-8.289557
-6.252287
6.348414
other
Li1Y2Pt1
4
225
88.12
mp-1185219
-8.035245
-6.530669
4.90588
other
La1Ce1Zn2
4
225
101.9
mp-1111155
-0.325772
1.210333
-4.507236
other
K2Tl2Br6
10
225
405.14
mp-862894
-7.862557
-5.690321
2.063612
other
Ac1Sb1Au2
4
225
102.14
mp-975578
-6.973091
-7.125579
2.577672
other
Li2Sn1Hg1
4
225
74.55
mp-973434
-7.311088
-2.864535
4.448363
other
Hf2Ir1Ru1
4
225
69.42
mp-1206497
8.909581
0.238322
0.597548
other
Cs3Co1F6
10
225
197.98
mp-865588
-8.72779
-6.164756
6.554568
other
Y2Cu1Ru1
4
225
80.17
mp-1186804
-6.257115
-4.494587
2.834305
other
Pu2Hg1Ge1
4
225
98.46
mp-865953
-7.514184
-7.239722
4.524299
other
Ac1Yb1Zn2
4
225
108.78
mp-977143
-8.777448
-5.437028
6.415313
other
La1Dy1Ru2
4
225
84.61
mp-567942
1.545415
2.687267
-5.335907
other
Cs2Re1Cl6
9
225
276.8
mp-867277
-7.622708
-6.050515
6.412445
other
Ho2Mg1Al1
4
225
96.86
mp-865974
-8.181764
-2.546605
2.637163
other
Tm1Ni2Sn1
4
225
66.75
mp-1185390
-8.342434
-6.754011
5.154826
other
Li1Nd1Zn2
4
225
80.92
mp-1183582
-6.262194
-7.079405
3.25029
other
Ca1Yb1Pb2
4
225
121.52
mp-1183048
-7.573398
-1.900287
4.227566
other
Zr1Sn1Ru2
4
225
66.8
mp-1064703
-4.882503
-6.889152
3.748796
other
Sr2U1Ni1
4
225
126.25
mp-30774
-7.8399
-2.249738
2.377273
other
Mg1Ni2Sn1
4
225
57.07
mp-977580
-7.556208
-5.143951
5.288908
other
Mg1Sc2Al1
4
225
83.17
mp-864940
-8.177575
-3.510819
3.212652
other
Mg2Pt1Rh1
4
225
59.67
mp-1183136
-7.565057
-1.834914
4.413017
other
Al2Os1Rh1
4
225
53.27
mp-1067509
-4.157566
-1.62408
-5.544053
other
Al1Cu1S2
4
225
59.55
mp-672374
-8.064207
-2.835572
3.308053
other
U1Ni2Sn1
4
225
67.25
mp-972174
-7.099882
-7.316737
4.767394
other
Yb1Lu1Tl2
4
225
109.17
mp-1183886
-6.053216
-7.179619
4.064174
other
Eu2Mg1Cd1
4
225
125.78
mp-1184699
-9.070008
-5.839551
6.299935
other
Ho2Cu1Ir1
4
225
80.7
mp-1186454
-7.754011
-6.592998
6.167878
other
Pm2Cu1Ni1
4
225
85.46
mp-977578
-6.521647
-2.764118
4.163943
other
Zr2Tc1Pd1
4
225
72.18
mp-1184494
-8.133664
-4.186975
3.297641
other
Gd1Cd1Pt2
4
225
80.21
mp-866047
-6.138051
-7.352419
3.185532
other
Na1Eu1Tl2
4
225
113.98
mp-640024
-8.137838
-2.148635
3.210452
other
Hf1In1Ni2
4
225
59.46
mp-865781
-7.939147
-6.345809
4.680807
other
Yb1Ce1Zn2
4
225
95.67
mp-1186660
-8.226216
-7.874125
3.122544
other
Pu1Cd1Hg2
4
225
96.11
mp-972866
-8.731874
-5.331563
3.789731
other
Sc2Pd1Au1
4
225
74.81
mp-979961
-7.675206
-6.825682
3.300505
other
Yb2Ag1Hg1
4
225
101.42
mp-978557
-8.24063
-7.727742
4.587966
other
Sm1Dy1Hg2
4
225
104.24
mp-867896
-9.407897
-4.771556
4.271977
other
Sc1Zn1Cu2
4
225
57.7
mp-1183124
-7.392016
-7.300838
4.476532
other
Ac1Eu1Zn2
4
225
112.82
mp-1193759
-7.464765
-1.091888
4.660921
other
Nd6Mn16Ni7
29
225
475
mp-864878
-8.78382
-5.941425
2.741418
other
Zr1Al1Au2
4
225
72.12
mp-1184770
-8.130263
-2.371271
2.502219
other
In1Ni2Au1
4
225
57.5
mp-1187507
-8.188177
-6.853689
4.880838
other
Yb1Tm1Zn2
4
225
90.03
mp-1193668
-5.77563
-0.098264
3.309355
other
Cr20W3C6
29
225
305.91
mp-1110954
-1.210888
2.810058
-2.845122
other
K3Sb1I6
10
225
516.71
mp-1187461
-6.267757
-1.873967
4.086896
other
Ti4V2Os2
8
225
121.86
mp-542995
-6.601577
-0.318369
3.917899
other
Nb6Fe16Si7
29
225
346.78
mp-866000
-7.689101
-6.980507
4.669938
other
Ca1La1Cd2
4
225
116.68
mp-1185444
-8.588968
-3.074656
3.899675
other
Li1Sc1Rh2
4
225
58.04
mp-1187764
-8.479031
-6.154524
6.003815
other
Y2Zn1Pt1
4
225
88.17
mp-977396
-8.699566
-3.214669
4.021354
other
Tb1Mg1Rh2
4
225
69.76
mp-1184084
-7.882188
-5.912376
6.207104
other
Er2Al1Zn1
4
225
88.23
mp-1206366
-6.681564
-0.263019
2.561631
other
Mn1Fe2P1
4
225
42.9
mp-865768
-6.473465
-1.667637
4.247095
other
Ti2Mn1Os1
4
225
56.69
mp-865892
-6.090055
-7.112229
3.518491
other
Li2Ca1Pb1
4
225
85.02
mp-1112369
1.262865
2.551285
-6.1371
other
Cs3Er1Cl6
10
225
411.53
mp-1185331
-8.45324
-6.34062
6.62209
other
Li1Dy2Rh1
4
225
83.67
mp-30727
-7.965332
-6.860097
2.330613
other
Mg1Cd1Ag2
4
225
73.39
mp-867787
-5.510008
-6.577688
1.113164
other
Rb1Tl2Bi1
4
225
139.53