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-1224066
-6.940436
-1.361808
5.276875
other
Ho1Mn6Al6
13
71
187.2
mp-1253073
9.079438
1.833091
1.414579
other
Al1Sn1F5
7
71
107.11
mp-1095884
-1.772697
-8.262725
2.052098
other
Li1Ta1Os2
4
71
764.64
mp-1096533
-2.995792
-8.355938
1.307891
other
Mg2Tl1Hg1
4
71
1,399.81
mp-1093718
-4.188258
-6.764645
1.380976
other
Cs2Au1Cl1
4
71
1,472.99
mp-1097170
-1.97455
-8.64527
1.903898
other
Be2Ir1Ru1
4
71
518.05
mp-1097491
-1.586172
-8.202188
2.30506
other
Ta2Fe1W1
4
71
785.78
mp-1096240
-2.046767
-8.185901
1.76735
other
Hf1Mg1Ni2
4
71
639.3
mp-1097195
-3.163411
-8.274219
1.53452
other
Sr1Ca1Cd2
4
71
1,825.95
mp-1097473
-2.237889
-8.344919
1.722115
other
Li1Mn1Ir2
4
71
709.29
mp-1096689
-2.683377
-8.376077
1.80249
other
Y2Pt1Pb1
4
71
1,314.85
mp-1096035
-3.115436
-8.311963
1.502573
other
Ca2Tl1Ag1
4
71
1,591.63
mp-1097365
-3.527596
-7.726077
1.738782
other
Ba2Zn1Ag1
4
71
1,688.64
mp-1219496
-6.226462
-3.162545
0.19717
other
Sb8Te4Ru4
16
71
415.05
mp-1205500
-7.877917
-6.53523
3.485358
other
Sm3Ag4Sn4
11
71
262.45
mp-1096611
-2.279444
-8.470763
1.82394
other
Zr1Sc1Pd2
4
71
875.22
mp-1093549
-3.503317
-8.423203
1.220401
other
Ba1Hg2Sb1
4
71
1,614.26
mp-1097249
-2.937269
-8.447605
1.67457
other
Y2Tl1Hg1
4
71
1,470.71
mp-1096176
-2.818266
-8.592722
1.540233
other
Zr1Hg1Au2
4
71
1,028.93
mp-1068053
-7.860885
-6.022484
3.18057
other
Ca2Ag1Pd2
5
71
109.5
mp-1093544
-1.706459
-8.25907
2.086599
other
Ta1Mn1Os2
4
71
777.51
mp-1212284
-7.633689
-3.891013
3.4982
other
Ho3Co6Sn5
14
71
254.2
mp-1097440
-2.305842
-8.315276
1.638223
other
Ca1Sc1Rh2
4
71
944.92
mp-1095840
-2.588784
-8.345222
1.757754
other
Y2Cu1Pd1
4
71
998.04
mp-1216260
-4.580359
-0.001287
2.901691
other
V1W2C3
6
71
60.45
mp-1096327
-1.90373
-8.49305
1.960083
other
Be2Fe1Ru1
4
71
458
mp-1215952
-7.027723
-1.320606
5.330734
other
Yb1Mn6Al6
13
71
186.16
mp-1097321
-2.480881
-8.467675
1.460821
other
Mg1Cu1Pd2
4
71
837.16
mp-1228742
-7.232185
-2.73455
5.803889
other
Al36Co8Ni4
48
71
699.08
mp-1212883
-8.151934
-6.331572
6.285713
other
Er12Co5Bi1
18
71
425.01
mp-1095927
-1.680854
-8.110922
2.343546
other
Ta2Ti1W1
4
71
816.56
mp-1216182
-8.284412
-0.235011
4.209574
other
Y1V2Co10
13
71
160.82
mp-1068244
-8.183114
-4.695599
5.611139
original
Er2Al1Ni2
5
71
89.73
mp-1097629
-1.686935
-8.284808
2.127217
other
Zr1Ta1Os2
4
71
862.22
mp-1225430
-7.405477
0.474217
4.419503
other
Dy1Fe10Re2
13
71
172.18
mp-1096215
-2.306442
-8.349921
1.757031
other
Sc2Co1Pt1
4
71
982.1
mp-1096372
-2.298751
-8.593226
1.600703
other
Ti1Zn2Pd1
4
71
839.34
mp-1096245
-1.822272
-8.557627
1.930238
other
Mn1Be1Ru2
4
71
527.68
mp-1095857
-2.598143
-8.429572
1.686068
other
Sc2Ag1Pd1
4
71
1,013.25
mp-18667
-7.898908
-3.004604
4.772049
other
Tb4Ge8Ir4
16
71
303.77
mp-1224139
-7.487547
0.771663
4.531718
other
Ho1Fe10Mo2
13
71
173.03
mp-1097397
-3.428088
-7.683777
1.784617
other
Ba2Cu1Pd1
4
71
1,393.29
mp-1225943
-6.518239
-1.525079
5.303874
other
Gd1Al6Cr6
13
71
204.23
mp-1095713
-2.515692
-8.523398
1.431133
other
Cu1Ag1Pd2
4
71
804.5
mp-1096043
-2.174608
-8.446032
1.564075
other
Be1B1Pt2
4
71
516.78
mp-1093618
-2.616021
-8.526862
1.450567
other
Cu2Ag1Au1
4
71
576.2
mp-1069801
-8.092965
-4.690288
5.789598
other
Ho2Al1Ni2
5
71
90.94
mp-1070507
-8.132895
-4.624128
5.534455
other
Lu2Al1Ni2
5
71
86.98
mp-1097587
-1.647103
-8.379884
2.146371
other
Zr1Nb1Ru2
4
71
771.77
mp-1095978
-2.72294
-8.361167
1.778991
other
Y2Ga1Au1
4
71
1,229.76
mp-1096556
-1.687351
-8.348395
2.149587
other
Ti2Mo1Au1
4
71
827.85
mp-1096335
-2.311147
-8.342716
1.581663
other
Li1Ge2Pt1
4
71
717.94
mp-1095794
-2.637989
-8.486759
1.41937
other
Pd2Pb1Au1
4
71
1,007.61
mp-1093894
-2.465979
-8.548753
1.35081
other
Zn1Ag1Pd2
4
71
836.91
mp-1096554
-1.648776
-8.245013
2.283738
other
Nb2Re1Rh1
4
71
737.55
mp-12414
-4.09485
-3.629462
-3.033376
other
K1U2Se6
9
71
249.8
mp-1097309
-3.688298
-7.814456
1.688325
other
Ba2In1Hg1
4
71
1,881.61
mp-1097230
-2.072594
-8.418408
2.053006
other
Si2Tc1Ir1
4
71
643.72
mp-1097264
-3.399577
-7.927619
1.708684
other
Ba1Sr1Li2
4
71
2,000.69
mp-1095861
-1.818327
-8.370081
2.029892
other
Hf2Ir1Os1
4
71
820.23
mp-1095947
-2.556294
-8.353026
1.395047
other
Mg1Tl1Pd2
4
71
991.84
mp-1218427
1.019888
1.605647
-5.225808
other
Sr4Ca1Cl10
15
71
418.32
mp-1080524
-7.437731
-3.279326
5.579643
other
La1Al5Ni2
8
71
135.54
mp-1216745
-8.735939
-4.274222
4.719255
other
Tm1Al6Cu6
13
71
183.1
mp-1097332
-3.138412
-8.226118
1.57179
other
Li2Ca1Tl1
4
71
1,346.12
mp-1096649
-1.556321
-8.306233
2.128445
other
Ta1V1Ru2
4
71
717.09
mp-1096421
-1.496169
-8.297565
2.352515
other
Ta1Nb1W2
4
71
786.34
mp-1096338
-3.294451
-8.689761
1.222511
other
Na1Li1Hg2
4
71
1,196.06
mp-1096466
-1.928169
-8.369358
1.915888
other
Al2V1Ir1
4
71
748.79
mp-1096258
-1.596512
-8.156386
2.203172
other
Ta2Tc1Os1
4
71
744.74
mp-1093689
-2.850393
-8.432484
1.578756
other
Y1Tl1Au2
4
71
1,171.73
mp-1097633
-4.084085
-6.863024
1.519577
other
Cs2K1Rb1
4
71
3,836.14
mp-29588
2.305889
2.042395
1.906548
other
Nd3B2N4
9
71
120.79
mp-758193
6.35267
11.076688
0.588645
other
Sr9Co6O18
33
71
454.52
mp-1095958
-3.236189
-8.725274
1.212245
other
Ca1Sn1Hg2
4
71
1,376.67
mp-1096571
-2.628383
-8.567151
1.456759
other
Cu1Ni1Au2
4
71
738.39
mp-1096375
-1.643983
-8.287507
2.26617
other
Ti2Nb1Ir1
4
71
758.46
mp-1096512
-1.567253
-8.306422
2.240939
other
Nb1Al1Tc2
4
71
795.94
mp-1093810
-2.042675
-8.369225
1.811666
other
Mn1Al2Ir1
4
71
755.54
mp-1095908
-3.038249
-8.174702
1.618739
other
Ca2Cu1Pd1
4
71
1,082.6
mp-1095961
-2.944876
-8.407841
1.372611
other
Na1In2Ag1
4
71
1,242.02
mp-1189374
-8.141726
-6.353045
6.554826
other
Ho12Ga2Ni4
18
71
428.54
mp-1095843
-1.527853
-8.328451
2.173931
other
Ti2Fe1Os1
4
71
710.43
mp-1078108
-5.467824
0.544612
3.185566
other
Mn2B4Mo1
7
71
60.08
mp-1097581
-2.578189
-8.523198
1.394093
other
Cd1Cu1Pd2
4
71
870.11
mp-1096025
-2.735468
-8.4739
1.506675
other
Ca1Pd1Au2
4
71
1,122.06
mp-1097632
-1.38852
-8.250799
2.430715
other
Nb1Mo2W1
4
71
695.78
mp-1095966
-2.492959
-8.348679
1.525374
other
In1Cu1Ni2
4
71
700.33
mp-1096349
-2.483277
-8.360574
1.380754
other
Mn1Tl1Pd2
4
71
974.77
mp-1095946
-3.032949
-8.692569
1.104326
other
Ag2Hg1Au1
4
71
1,000.1
mp-1097086
-3.147552
-8.236987
1.386026
other
Li2In1Sb1
4
71
1,013.87
mp-1096091
-2.356017
-8.286983
1.818299
other
Y2Al1Ru1
4
71
1,014.31
mp-1093622
-1.910619
-8.464545
1.86959
other
Al2Tc1Pt1
4
71
712.07
mp-1097130
-1.656029
-8.329705
2.289073
other
Ti1V1W2
4
71
725.61
mp-1095853
-2.801107
-8.411636
1.733888
other
Y2Cd1Ag1
4
71
1,373.27
mp-22713
-7.6015
-4.709706
4.415052
other
Ce2Ni2Sn1
5
71
105.37
mp-1093985
-2.540265
-8.247715
1.732326
other
La2Ni1Ir1
4
71
1,285.17
mp-1103415
-8.053177
-4.465143
4.639102
other
Sm3Cu4Ge4
11
71
204.79
mp-1097173
-2.00044
-8.562105
1.890223
other
Be1Cr1Ir2
4
71
681.92
mp-1093691
-1.659627
-8.183042
2.164656
other
Ta2Fe1Ru1
4
71
648.26