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-1096051
-2.90096
-8.411394
1.503111
other
Li1Cd2Cu1
4
71
904.67
mp-1097354
-1.565985
-8.136844
2.278286
other
Ta2Mo1Rh1
4
71
747.15
mp-1096376
-2.226206
-8.457314
1.819515
other
Hf1Sc1Pd2
4
71
841.65
mp-1096359
-2.586437
-8.484791
1.402738
other
Cd2Cu1Pt1
4
71
887.88
mp-1106355
-8.050033
-6.520206
6.53277
other
Dy12Ni4Sn2
18
71
457.04
mp-1096663
-1.689022
-8.435595
2.197381
other
Zr1Al1Tc2
4
71
879.86
mp-1096289
-2.849812
-8.498899
1.671527
other
Sc2In1Hg1
4
71
1,244.84
mp-1015814
-6.621237
-10.462061
5.626568
other
Li1Mg2Al1
4
71
89.23
mp-1096730
-1.726661
-8.158822
2.293666
other
Ti2Nb1Sn1
4
71
894.82
mp-1104032
-8.236552
-3.699514
5.007514
other
Lu3Ga8Ir3
14
71
244.08
mp-1093636
-3.017385
-8.338764
1.411835
other
Na1Cd1In2
4
71
1,322.82
mp-1093898
-2.194017
-8.328663
1.823024
other
Mn2Be1Cr1
4
71
668.11
mp-1093837
-2.250184
-8.454237
1.560647
other
Mn1Zn2Rh1
4
71
829.51
mp-1095795
-2.127304
-8.556198
1.772157
other
Be1Zn1Ir2
4
71
691.99
mp-1097596
-2.410749
-8.392993
1.700411
other
Sc2Zn1Rh1
4
71
906.91
mp-1097535
-1.811417
-8.242117
1.952122
other
Hf1Ti1Ni2
4
71
728.34
mp-1093569
-2.684909
-8.331325
1.52331
other
Li2Zn1Pd1
4
71
686.3
mp-1096168
-3.080563
-8.253427
1.56515
other
Ca2Zn1Ag1
4
71
1,371.48
mp-1221258
8.517297
1.111625
1.57638
other
Na2Th1F6
9
71
127.45
mp-1210166
-7.813142
-6.606333
6.820117
other
Nd12Co4Sn2
18
71
503.68
mp-1096306
-1.347594
-8.194065
2.430893
other
Ta1Nb1Mo2
4
71
748.19
mp-17794
-7.899662
-2.975533
4.81534
other
Ho4Ge8Ir4
16
71
300.19
mp-1096541
-2.518761
-8.346572
1.763214
other
Li1Sc2Pd1
4
71
1,200.81
mp-1093801
-2.135101
-8.445226
1.826676
other
Sc2Os1Rh1
4
71
816.68
mp-1095782
-1.970898
-8.338195
1.790526
other
Mn1As1Ru2
4
71
686.93
mp-1096034
-1.415184
-8.218217
2.407374
other
Ta1Ti1Mo2
4
71
706.88
mp-1077589
-4.566741
-2.118143
1.397541
other
Ta2P2S2
6
71
97.8
mp-1097573
-2.872113
-8.221812
1.432061
other
Na1Tl2Pt1
4
71
1,438.45
mp-1219887
-6.962361
0.055095
5.119199
other
Pr1Al6Fe6
13
71
189.46
mp-1097684
-1.632648
-8.386457
2.132025
other
Mn1V2Mo1
4
71
667.17
mp-1093754
-1.964344
-8.368612
1.88528
other
Y1Sc1Ru2
4
71
854.17
mp-1095833
-3.60598
-8.275645
1.454644
other
Tl2Hg1Te1
4
71
1,469.32
mp-1096462
-2.208504
-8.385508
1.555017
other
Al1Cd1Rh2
4
71
851.22
mp-1093626
-2.574892
-8.592175
1.347387
other
Cd2Pt1Au1
4
71
981.04
mp-1097634
-1.612159
-8.348231
2.262588
other
Nb1Fe1Tc2
4
71
785.6
mp-1015061
-6.016866
-7.012466
2.90744
other
Na1Li2Sn1
4
71
102.35
mp-1093770
-2.38201
-8.446008
1.442034
other
Mn1Ga1Pd2
4
71
718.5
mp-1096719
-2.828817
-8.245905
1.790572
other
Zr1Sc1Tl2
4
71
1,353.97
mp-1096127
-2.691988
-8.365563
1.757433
other
Y2Cu1Ag1
4
71
1,263.99
mp-1095830
-3.240198
-8.288517
1.624233
other
Sr2Li1Sn1
4
71
1,683.02
mp-1093674
-2.437514
-8.361042
1.443584
other
Mg2Cu1Pt1
4
71
847.94
mp-1097384
-1.936771
-8.361805
2.046732
other
Hf2Tc1Pd1
4
71
833.64
mp-1096711
-2.73431
-8.413482
1.666758
other
Y1Cd1Cu2
4
71
1,017.21
mp-1213263
-8.001077
-1.232011
4.435412
other
Dy1Ga6Co6
13
71
179.07
mp-573267
-7.683272
-3.402014
4.545176
other
Yb4Ni4Ge8
16
71
283.99
mp-1093766
-3.190565
-8.150671
1.615124
other
Ca2Zn1In1
4
71
1,575.79
mp-1096736
-1.905255
-8.365216
2.206194
other
Zr2Al1Tc1
4
71
920.23
mp-1104861
-7.27316
-7.654735
2.055913
other
Ba3Cd1Hg10
14
71
423.42
mp-1217045
-8.389488
-1.723559
2.815693
other
U1Si2Ni10
13
71
155.03
mp-1096226
-2.584389
-8.469698
1.923807
other
Y2Tc1Pb1
4
71
1,270.77
mp-1095945
-3.22952
-8.718626
1.340588
other
La1Sn1Hg2
4
71
2,458.81
mp-1096250
-1.501705
-8.335819
2.30065
other
Ti1V1Mo2
4
71
693.42
mp-1095996
-1.742882
-8.353576
2.17886
other
Hf1Tc2Ge1
4
71
834.45
mp-1093594
-2.63535
-8.558796
1.384032
other
Cd2Rh1Au1
4
71
910.48
mp-1096639
-1.782659
-8.543159
1.811697
other
Zn1Ge1Ru2
4
71
717.69
mp-1093907
-2.644097
-8.186644
1.810848
other
Y2Ge1Pd1
4
71
1,511.48
mp-1096057
-2.741163
-8.318954
1.728335
other
Sc2Tl1Cu1
4
71
1,067.16
mp-1096501
-2.536145
-8.413773
1.429244
other
Na1Zn1Pd2
4
71
985.63
mp-22002
-7.660067
-4.001707
3.469103
other
Sm3Co6Sn5
14
71
264.72
mp-1093939
-3.819007
-7.207325
1.607024
other
Ba2Sb1Br1
4
71
1,589.9
mp-1093597
-3.362039
-8.694885
1.067998
other
In1Hg2Bi1
4
71
1,238.6
mp-1096683
-2.7867
-8.49035
1.42433
other
Li1Pd1Pb2
4
71
1,055.2
mp-1096657
-2.57532
-8.357909
1.723262
other
Y2Rh1Au1
4
71
1,095.98
mp-1093938
-2.221966
-8.490471
1.657952
other
Be2Ag1Pt1
4
71
601.4
mp-1093864
-1.56546
-8.57986
2.075144
other
Al1Ru2W1
4
71
732.04
mp-1096402
-2.224039
-8.444896
1.405542
other
In2Ir1Rh1
4
71
695.41
mp-1097609
-3.228492
-8.240862
1.629091
other
Li1Ca2Pb1
4
71
1,634.11
mp-1096486
-1.576129
-8.181279
2.202488
other
Ta2Tc1Ru1
4
71
758.19
mp-1095858
-1.60726
-8.459251
2.180683
other
V1Tc2Mo1
4
71
679.2
mp-1096283
-3.090316
-8.222135
1.567018
other
Li2Ca1Cd1
4
71
1,438.55
mp-1097567
-2.653851
-8.529589
1.624608
other
Hf1Ga1Au2
4
71
984.62
mp-1212844
-7.723612
-3.874638
3.476584
other
Er3Co6Sn5
14
71
254.44
mp-1093588
-2.084656
-8.604904
1.425635
other
Mg1Sn1Pt2
4
71
729.64
mp-1097610
-2.546769
-8.470614
1.742769
other
Hf1Cu2Au1
4
71
576.21
mp-1220531
-7.488328
0.80155
4.748599
other
Nd1V2Fe10
13
71
171.51
mp-1096661
-1.83754
-8.329974
2.196763
other
Hf2Nb1Ir1
4
71
898.47
mp-1096332
-3.411181
-8.434713
1.236164
other
Tl2Cd1Hg1
4
71
1,396.75
mp-1096135
-3.197009
-8.343304
1.731867
other
Ca1Y1Pb2
4
71
1,504.15
mp-1093853
-2.721962
-8.390922
1.793747
other
Sc2Zn1Cd1
4
71
1,173.23
mp-1096050
-2.096472
-8.471604
1.466091
other
Mg1Al1Pt2
4
71
827.17
mp-1096377
-1.540699
-8.233905
2.164657
other
Ti2Ga1Tc1
4
71
800.44
mp-1093724
-1.920238
-8.480402
1.994186
other
Mn1Si1Os2
4
71
675.89
mp-1097543
-1.604448
-8.229548
2.266283
other
Mn1Nb2Tc1
4
71
834.39
mp-1096319
-1.908378
-8.346964
2.128226
other
Zr2Tc1Ag1
4
71
982.4
mp-1097618
-1.42005
-8.346768
2.415485
other
Ta1Mo1W2
4
71
790.37
mp-569873
-0.13901
0.342502
-2.871686
other
La4C2Br5
11
71
307.52
mp-1097665
-2.411204
-8.353848
1.78744
other
Mg1Co2Si1
4
71
710.52
mp-1093826
-1.909739
-8.312407
2.085893
other
Hf2Fe1Rh1
4
71
674.03
mp-1097316
-1.847245
-8.394907
2.19866
other
Zr2Mn1Tc1
4
71
912.53
mp-1096590
-3.594012
-7.78355
1.575863
other
K2Cd1Au1
4
71
1,662.42
mp-1103910
-7.452953
0.002621
4.557244
other
Zr1Ga6Fe6
13
71
180.71
mp-1096469
-1.837069
-8.386824
2.193784
other
Hf2Re1Pt1
4
71
871
mp-1097209
-1.529948
-8.369918
2.227121
other
V1Re1Mo2
4
71
750.53
mp-1095752
-3.737272
-7.323056
1.582615
other
Cs1K1Au2
4
71
1,566.16
mp-1093737
-1.933943
-8.262209
1.997556
other
Hf2Co1Rh1
4
71
785.73
mp-1097638
-3.327231
-8.342555
1.740809
other
Ca1La1Pb2
4
71
782.27
mp-1096045
-3.288521
-8.340393
1.722983
other
Sr1Y1Pb2
4
71
1,669.75
mp-1097518
-1.725762
-8.419215
2.300183
other
Ta1Cr2Re1
4
71
790.99
mp-1093746
-2.78729
-8.414531
1.381379
other
Na1Ag2Pd1
4
71
1,177
mp-1096077
-2.991795
-8.338281
1.387069
other
Na1In2Sn1
4
71
1,246.83