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-861645
-5.478138
-7.37371
3.672997
other
Ca2Mg1Tl1
4
225
116.19
mp-1185964
-7.886617
-5.858527
5.017149
other
Mg1Sc2Hg1
4
225
87.5
mp-1187509
-8.276793
-4.402067
3.755784
other
Yb1Y1Pt2
4
225
83.37
mp-1184240
-7.946173
-9.068372
6.952897
other
Er1Tm1Mg2
4
225
105.43
mp-1186004
-8.501028
-3.918658
2.182459
other
Mn1Ga1Pd2
4
225
58.52
mp-1187272
-8.97846
-5.818603
6.291121
other
Tb2Cu1Ir1
4
225
82.89
mp-1187456
-8.663407
-3.152003
4.16044
other
Th1Mg1Rh2
4
225
76.78
mp-861993
-8.08552
-7.098391
5.497835
other
Ho2Tl1Ag1
4
225
99.51
mp-984761
-4.642422
-6.189218
0.665601
other
Cs1Rb2Sb1
4
225
178.11
mp-636232
-8.789981
-6.318964
3.009929
other
Ce1In1Au2
4
225
90.37
mp-1184842
-7.544718
-2.468864
5.0543
other
Ho1Th1Os2
4
225
84.8
mp-1185027
-8.757271
-6.202657
2.989296
other
La1Yb1Au2
4
225
100.36
mp-1185086
-6.986459
-7.335505
4.564426
other
La1Yb1Tl2
4
225
121.61
mp-1186667
-8.615979
-6.271489
5.162006
other
Pm1Y1Cu2
4
225
85.93
mp-1187208
-5.983303
-1.652877
3.989932
other
Ta2Re1W1
4
225
66.2
mp-1186609
-7.293719
-7.339801
5.171391
other
Pm1Mg1Tl2
4
225
104.77
mp-862324
-8.218285
-4.646827
5.300502
other
Sc2Ga1Tc1
4
225
70.66
mp-973285
-9.154071
-6.473268
3.896634
other
Ho1Lu1Au2
4
225
87.66
mp-978539
-8.906749
-5.553735
6.547906
other
Sm1Tm1Ru2
4
225
78.17
mp-866063
-8.010261
-8.574203
6.995944
other
Nd1Dy1Mg2
4
225
113.07
mp-1078623
-8.407085
-2.188137
3.926525
other
Zr2B1Ir6
9
225
132.05
mp-865678
-6.650639
-1.219958
4.372918
other
Ti1Mn2V1
4
225
52.65
mp-866065
-8.102298
-6.838823
4.743831
other
Nd1Mg1Cd2
4
225
97.45
mp-861744
-6.202716
-4.615854
2.289995
other
Pu2Hg1Bi1
4
225
112.14
mp-865505
-8.37815
-6.694955
5.581848
other
Lu2In1Ag1
4
225
94.01
mp-1187245
-6.017075
-0.926804
3.628594
other
Ti1Mo2W1
4
225
62.69
mp-864999
-9.116094
-5.601002
6.317908
other
Dy2Ir1Rh1
4
225
78.94
mp-862767
-8.000256
-7.029336
4.483702
other
Tb1Mg1Cd2
4
225
92.12
mp-1183898
-6.602666
-6.840569
3.750898
other
Eu2Cu1Ir1
4
225
88
mp-1184299
-7.722338
-1.871733
3.913167
other
Ga2Ni1Ru1
4
225
53.03
mp-1185048
-7.692535
-8.838047
6.733266
other
La1Er1Mg2
4
225
115.14
mp-981208
-8.286608
-7.771268
4.562827
other
Y1Tm1Hg2
4
225
99.03
mp-1184609
-6.571253
-2.573198
4.365662
other
Hf2Cu1Tc1
4
225
67.8
mp-977401
-7.367247
-1.633274
4.36151
other
Nb1Ga1Ru2
4
225
58.93
mp-865915
-6.37435
-7.211452
3.614783
other
Li2Ac1Pb1
4
225
97.03
mp-1186646
-7.985058
-6.717578
5.804498
other
Pm1Nd1In2
4
225
114.38
mp-862927
-8.0424
-8.177722
3.433386
other
Li1Pm1Hg2
4
225
92.7
mp-31339
-8.579368
-4.903371
3.133305
other
Sc1In1Pd2
4
225
70.06
mp-1183789
-7.605659
-7.367285
5.59496
other
Dy1Lu1Tl2
4
225
104.26
mp-973066
-8.265819
-2.718891
3.523859
other
Sc1Ge1Rh2
4
225
59.91
mp-1185366
-7.054125
-9.787348
4.833194
other
Li1Mg2In1
4
225
82.23
mp-864808
-8.634456
-5.063414
3.190279
other
Tb1In1Pd2
4
225
77.44
mp-1187618
-8.491391
-5.602108
3.64976
original
Yb1Nd1Pd2
4
225
89.74
mp-1184089
-8.913224
-6.780547
4.465111
original
Dy2Ag1Au1
4
225
92.17
mp-23067
1.633932
2.71761
-5.450146
other
K2Pd1Cl6
9
225
230.96
mp-16735
-7.473712
-1.107564
3.391364
other
Cr1In1Co2
4
225
53.42
mp-982613
-7.917172
-7.168458
5.931568
other
Pm2In1Hg1
4
225
111.78
mp-1185976
-6.556434
-1.438238
4.911529
other
Mn1Al2Tc1
4
225
55.19
mp-865854
-8.069861
-5.426623
4.207243
other
Yb2Cu1Rh1
4
225
76.02
mp-980195
-9.347379
-4.570684
4.514639
other
Tm6Al7Cu16
29
225
446.8
mp-981247
-6.373518
-3.006321
1.133232
other
Zn7Sb8Ru9
24
225
433.29
mp-10891
-8.430826
-3.953171
2.211454
other
Mn1Al1Pd2
4
225
59.22
mp-867115
-7.820908
-6.26744
2.881005
other
Li1Cd2Rh1
4
225
66.6
mp-1192814
-8.128347
-4.389237
2.237398
other
Ce3Si6Pd20
29
225
467.6
mp-20481
-8.227543
-4.036688
2.025373
other
Mn1Sn1Pd2
4
225
65.33
mp-1184080
-8.629293
-6.786296
4.754542
other
Dy1Tm1Ag2
4
225
91.89
mp-1183318
-5.865069
-7.331594
2.889776
other
Ba1Na1Tl2
4
225
139.5
mp-23465
1.579562
2.751205
-5.669233
other
Cs2Te1Cl6
9
225
294.27
mp-1186309
-7.612472
-7.366595
5.549983
other
Nd1Ho1Tl2
4
225
111.77
mp-1212455
-5.342331
-1.388914
4.468453
other
Hf6Be15Cu8
29
225
334.93
mp-1187861
-9.056385
-5.4279
6.104802
other
Y1Lu1Ir2
4
225
76.82
mp-1185246
-6.13046
-7.144277
4.169042
other
Li1Yb2Cd1
4
225
112.58
mp-1206848
-1.310683
2.992692
-2.926065
other
Cs2Tc1I6
9
225
395.55
mp-1114259
8.732281
1.160416
0.442949
other
Na3Rh1F6
10
225
136.69
mp-1225788
-6.556899
-3.950287
1.042669
other
Cu2Ni1Sb1
4
225
57.16
mp-862968
-5.905552
-3.932352
-1.851017
other
Pm1Tl1Te2
4
225
124.09
mp-972424
-8.265718
-4.374178
3.719351
other
Tb1Yb1Pt2
4
225
83.57
mp-865794
-7.940373
-7.737486
3.563444
other
La1Yb1Hg2
4
225
113.31
mp-30439
-5.247426
-1.52449
4.383019
other
Ta6Be15Cu8
29
225
312.35
mp-631406
-7.134195
-6.538085
4.66166
other
Sc1Tl2W1
4
225
83.52
mp-20363
-7.994009
-4.364522
3.703124
other
Li1Ga2Pt1
4
225
56.76
mp-865929
-8.236581
-4.303638
3.061376
other
Cd2Pt1Rh1
4
225
67.12
mp-1066394
-6.041958
-3.180576
-2.148748
other
Al1Cu1Te2
4
225
86.85
mp-864747
-7.324003
-7.375809
5.114845
original
Ho1Mg1Tl2
4
225
103.1
mp-1079457
6.374515
3.73684
-2.164336
other
Cu1Br2N6
9
225
131.18
mp-862932
-8.271896
-6.822482
3.412927
other
Th1In1Ag2
4
225
91.25
mp-979045
-9.056958
-6.103492
5.269363
other
Tm2Cu1Pd1
4
225
79.56
mp-862492
-7.251169
-7.37971
4.899384
other
Li1Er1Tl2
4
225
94.66
mp-862730
-8.147871
-2.468572
3.562582
other
Li1Ga1Rh2
4
225
51.25
mp-867243
-8.312882
-4.610004
5.331333
other
Sc2Zn1Os1
4
225
69.07
mp-1185102
-7.858652
-6.859623
4.911643
other
La2Zn1Hg1
4
225
112.75
mp-862372
-8.323948
-4.136205
4.857658
other
Sc2Ru1Rh1
4
225
65.83
mp-1110853
8.093855
0.780336
1.613385
other
K3Nd1F6
10
225
223.35
mp-867149
-6.022689
-7.012357
3.302849
other
Sr2Cd1Sn1
4
225
131.71
mp-622041
-8.969163
-6.427312
2.750011
other
Th1In1Au2
4
225
91.22
mp-865566
-8.546061
-3.003909
3.870541
other
Lu1Zn1Rh2
4
225
62.9
mp-976151
-7.926131
-8.912004
6.923216
other
Pr1Er1Mg2
4
225
113.02
mp-867207
-6.193155
-7.288737
3.072909
other
Sr2Hg1Pb1
4
225
133.23
mp-1187087
-5.322496
-7.326842
3.503483
other
Sr2Li1Cd1
4
225
137.24
mp-978912
-9.061866
-5.531548
6.197011
other
Tb1Y1Ir2
4
225
80.21
mp-27829
1.627526
2.843687
-5.222248
other
Rb2Se1Cl6
9
225
255.68
mp-864922
-8.729732
-5.906371
2.235609
other
Mg1Zn1Au2
4
225
65.78
mp-1187609
-8.188557
-6.87218
4.900932
other
Yb1Dy1Zn2
4
225
92.44
mp-1192877
-7.281828
-2.424314
5.579645
other
Ti6Al16Co7
29
225
407.71
mp-972914
-7.588125
-5.384643
5.335715
other
Sc2Al1Cd1
4
225
82.81
mp-1187687
-8.045407
-4.893914
3.44228
other
Yb1Eu1Pt2
4
225
87.31
mp-1185415
-7.790545
-6.402077
5.180084
other
Li1Nd1In2
4
225
101.78
mp-1183553
-8.547834
-5.900892
4.04307
other
Ca1Tb1Pd2
4
225
87.5
mp-864955
-7.274151
-0.548756
4.021198
other
Mn2Cr1Co1
4
225
50.96
mp-973142
-8.884905
-5.133774
3.762713
other
Sc1Zn2Pd1
4
225
63.99