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-1097482
-3.081575
-8.311797
1.665341
other
Sr1La1Cd2
4
71
1,438.71
mp-1189487
-8.081027
-6.528093
6.63132
other
Dy12Ga2Ni4
18
71
436.01
mp-1096297
-1.701387
-8.325132
2.06468
other
Nb1Fe1Ru2
4
71
731.69
mp-1097297
-2.25745
-8.34095
1.772939
other
La1Y1Ir2
4
71
1,046.92
mp-1096463
-2.775757
-8.459617
1.739623
other
Sc2Cd1Au1
4
71
1,141.01
mp-1097390
-1.873436
-8.345389
2.03543
other
Hf2Co1Ru1
4
71
762.26
mp-1097098
-2.885571
-8.323964
1.716629
other
Ca1La1Cu2
4
71
784.61
mp-1097467
-2.725768
-8.472893
1.49944
other
Sc1Zn1Ag2
4
71
1,062.31
mp-1093570
-2.126072
-8.463002
1.591154
other
Li1Fe1Pt2
4
71
739.98
mp-13430
-7.753977
-4.427314
6.265706
other
Nd2Al1Co2
5
71
99.83
mp-1096320
-2.482174
-8.247986
1.72064
other
Y2Mg1Ir1
4
71
1,238.83
mp-1096037
-3.491152
-7.976597
1.751914
other
Ba1Sr1In2
4
71
1,723.57
mp-1096195
-2.634243
-8.281336
1.909419
other
Sc2Tl1V1
4
71
1,226.06
mp-1251112
9.404001
0.899348
0.73653
other
Al1Co1F5
7
71
84.6
mp-568519
-7.957342
-4.417187
4.54108
original
Tm3Cu4Ge4
11
71
185.45
mp-1224395
-6.925752
0.049922
4.923305
other
Hf1Al6Fe6
13
71
176.25
mp-1097240
-1.777073
-8.345603
2.147747
other
Hf2V1Os1
4
71
871.55
mp-1097564
-1.860817
-8.368125
2.212651
other
Zr2Co1Re1
4
71
783.09
mp-1096141
-3.300653
-8.110853
1.737832
other
Sr2Li1Ga1
4
71
1,527.69
mp-1093556
-2.226242
-8.486819
1.697451
other
Hf1Ga1Pd2
4
71
864.14
mp-1096510
-2.804137
-8.549821
1.659665
other
Y2Sn1Hg1
4
71
1,358.78
mp-1095818
-2.446759
-8.410525
1.734342
other
Y1Sc1Pd2
4
71
1,375.97
mp-1095780
-3.07239
-8.416642
1.760311
other
La2Zn1Hg1
4
71
1,265.62
mp-1095912
-1.725466
-8.293508
2.092008
other
Mg1Nb1Os2
4
71
840.36
mp-1093914
-2.021623
-8.493751
1.855638
other
Mn1Be2Ru1
4
71
544.56
mp-1096033
-2.687588
-8.496874
1.614851
other
Hf1Cu1Au2
4
71
990.76
mp-1096418
-2.008435
-8.337566
1.985946
other
Hf2Cu1Ni1
4
71
825.93
mp-1096105
-1.787298
-8.146774
2.230731
other
Ti2Nb1Pb1
4
71
823.74
mp-1095043
-2.636793
0.45647
2.409015
other
Sc3Os1C4
8
71
92.82
mp-1097574
-3.617398
-7.748578
1.747852
other
Ba2Hg1Ge1
4
71
1,587.05
mp-1209038
-7.933984
-6.667498
6.834975
other
Sm12Co4Sn2
18
71
485.32
mp-17760
-7.807591
-4.01399
3.74395
other
Er4Ge8Pt4
16
71
311.47
mp-1098699
-2.992743
-8.389101
1.75168
other
La2Mg1Hg1
4
71
1,359.43
mp-1096333
-3.669487
-7.909392
2.008735
other
Ba1Na2Ca1
4
71
2,393.89
mp-1096017
-3.24648
-8.628353
1.086275
other
Na1Hg2Sb1
4
71
1,293.71
mp-1096103
-2.879816
-8.418844
1.501304
other
Ca2Hg1Pt1
4
71
1,286.72
mp-1096426
-3.866821
-7.414556
1.398491
other
Cs1Na2Bi1
4
71
2,141.31
mp-29876
12.91939
10.838105
2.012439
other
Mn4Nb12O24
40
71
489.9
mp-1095981
-3.050265
-8.30862
1.323916
other
Na1Mg1Cd2
4
71
1,399.26
mp-1096727
-3.448371
-7.693491
1.795817
other
Ba2Li1Mg1
4
71
2,094.91
mp-1093563
-3.904242
-7.152878
1.569616
other
Cs1Rb1Au2
4
71
1,670.35
mp-1015811
-6.679851
-2.472385
5.125859
other
Al1Co2Si1
4
71
55.21
mp-1095756
-1.562265
-8.447056
2.366493
other
Ti1Re1W2
4
71
777.11
mp-1096700
-2.006975
-8.261289
2.006707
other
Ta1Be1Co2
4
71
591.62
mp-1096499
-1.763427
-8.323923
1.968139
other
Li1Nb1Ru2
4
71
756.52
mp-1093633
-3.704355
-7.297495
1.366378
other
K1Na2As1
4
71
1,735.27
mp-1097215
-2.923725
-8.426278
1.534235
other
Sr1Cd1Au2
4
71
1,332.83
mp-1223382
1.254043
2.026414
-5.495111
other
K1Na4Cl5
10
71
238.36
mp-1192626
-7.60478
-2.943921
4.854805
other
Th2Al15Ni10
27
71
401.02
mp-1096444
-2.140456
-8.395755
1.783041
other
Be1Fe1Co2
4
71
507.65
mp-1392327
9.00987
2.034651
1.539566
other
Y1V1F5
7
71
123.3
mp-1104739
-7.483244
0.077079
4.79465
other
Ho1Ga6Fe6
13
71
183.63
mp-10530
-5.005215
-4.206438
6.347144
other
Tm2Al1Si2
5
71
96.9
mp-1207239
-8.030569
-5.394378
5.896348
other
Pr2Ga1Ni2
5
71
99.9
mp-1095940
-2.28912
-8.398007
2.02678
other
Zr2Zn1Cu1
4
71
956.63
mp-1104317
-7.489964
0.069432
4.788189
other
Lu1Ga6Fe6
13
71
185.13
mp-1093578
-3.282902
-8.449573
1.275875
other
Ca2Hg1Bi1
4
71
1,500.35
mp-1096194
-3.347318
-8.391856
1.304758
other
Tl2Hg1Au1
4
71
1,339.97
mp-1102698
-5.709465
-3.371854
5.618403
other
Ce3Si4Rh4
11
71
206.36
mp-1096717
-1.618976
-8.393119
1.985441
other
V2Mo1Rh1
4
71
541.29
mp-1095972
-3.313183
-8.230839
1.714983
other
Sr2Hg1Ge1
4
71
1,547.73
mp-1245992
0.285861
2.503187
1.930546
other
Mn10Co1N8
19
71
203.13
mp-1096636
-1.818665
-8.508486
2.200163
other
Cr1Si1Tc2
4
71
722.4
mp-1096721
-1.882972
-8.391038
2.170358
other
Y1Zr1Tc2
4
71
954.72
mp-1096139
-2.82067
-8.428109
1.473569
other
Li1Cd2Ni1
4
71
1,048.48
mp-1095796
-3.304727
-8.293769
1.584151
other
Sr2Zn1Hg1
4
71
1,769.04
mp-1095993
-2.592313
-8.459873
1.54144
other
Zr1In1Ag2
4
71
1,115.89
mp-1222058
-8.359841
-6.325032
2.335208
other
Na26Ge14Au41
81
71
1,648.1
mp-1095973
-2.775699
-8.520758
1.576186
other
Li1La1Au2
4
71
1,151.97
mp-570498
0.657059
1.046148
-3.436533
other
Pr4C2Cl5
11
71
266.71
mp-1096401
-2.164959
-8.53454
1.514227
other
Zn2Ir1Pt1
4
71
759.28
mp-1097121
-1.792842
-8.617418
2.100143
other
Cr1Si1Os2
4
71
653.07
mp-1097420
-2.724279
-8.454611
1.608507
other
Y1Al1Au2
4
71
1,127.53
mp-574262
-0.455973
0.446586
-2.586818
other
Ce4C2Br5
11
71
292.84
mp-1096500
-3.312663
-8.667799
1.106725
other
Tl1In1Hg2
4
71
1,363.69
mp-1096684
-2.878462
-8.424498
1.48394
other
Li2Cd1Ag1
4
71
973.38
mp-1097355
-2.79811
-8.535342
1.697573
other
La1Sc1Au2
4
71
1,117.45
mp-1208446
-7.963065
-6.447685
6.515936
other
Tb12Co4Sn2
18
71
458.02
mp-1097432
-1.87953
-8.22269
2.187556
other
Hf2In1Mo1
4
71
1,070.67
mp-1095767
-2.886297
-8.445684
1.365013
other
Mg2Hg1Pb1
4
71
1,220.82
mp-1096204
-3.304977
-8.313097
1.430727
other
Na1Sr1Pb2
4
71
1,722.71
mp-1096555
-3.504313
-7.777462
1.838438
other
Ba2Cd1Ga1
4
71
1,915.54
mp-1093835
-3.196176
-8.448461
1.749478
other
La2Hg1Pb1
4
71
1,522.25
mp-1093719
-2.134531
-8.434235
1.694916
other
Mg1Be2Pt1
4
71
786.14
mp-1093653
-1.87073
-8.315122
1.845778
other
Hf1Ti1Rh2
4
71
787.75
mp-1068813
-5.712399
-3.566118
-1.957211
other
K2Te2Pd1
5
71
193.23
mp-1093568
-2.569777
-8.472804
1.603598
other
Y1Zn2Pd1
4
71
1,080.21
mp-1095894
-2.390718
-8.481104
1.661364
other
Hf1Cd1Pd2
4
71
874.5
mp-1093744
-2.729629
-8.555388
1.45285
other
Sc1Ag2Sn1
4
71
1,032.98
mp-1096203
-2.609375
-8.508287
1.638444
other
Zr1Pd1Au2
4
71
969.27
mp-1225118
-7.317695
0.624879
4.564769
other
Er1Fe10Si2
13
71
163.7
mp-1096534
-2.401044
-8.392467
1.827336
other
Y1Zr1Pd2
4
71
1,002.01
mp-1104965
-8.258485
-3.985114
4.945625
other
Y3Ga8Rh3
14
71
257.07
mp-1096006
-1.533499
-8.345629
2.231086
other
Nb1V1Tc2
4
71
997.2
mp-1178001
11.467571
12.30299
0.324047
other
Li8Cr4O8
20
71
212.72
mp-1093803
-1.473809
-8.32219
2.249107
other
Ti2Mo1Ru1
4
71
721.06
mp-1093965
-3.42037
-7.886593
1.458255
other
Na2Tl1As1
4
71
1,533.52
mp-1096202
-2.810682
-8.290979
1.792186
other
Y2Pd1Pb1
4
71
1,420.24
mp-1097657
-3.401808
-8.17966
1.684283
other
Sr2Tl1In1
4
71
1,997.77
mp-1276702
5.585061
10.6021
-2.130499
other
Li12Fe4O16
32
71
279.04