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-4883
-5.718239
-0.742713
1.87801
other
Ba1Fe2P2
5
139
89.1
mp-755293
-5.125323
-6.229196
1.308521
other
Sr4Sb2O1
7
139
215.4
mp-20510
-7.32892
-0.662076
5.071002
other
Yb1Fe2Ge2
5
139
81.06
mp-560663
-5.259057
-1.096861
-4.348238
other
Rb1Co2S2
5
139
97.24
mp-1214765
-6.001652
-7.023716
3.536804
other
Ba1Mg2In2
5
139
149.75
mp-5508
-5.740261
-3.890285
4.88921
other
Th1Si2Pd2
5
139
89.28
mp-2041196
8.942419
0.479007
0.590737
other
Rb2Cr1F6
9
139
151.85
mp-7879
-7.497777
-6.291624
3.294336
other
Sr1Ag2Ge2
5
139
107.48
mp-569199
1.630268
1.365224
2.447618
other
U2Bi1N2
5
139
109.18
mp-778404
8.253076
10.183814
-0.351415
other
Na8Ni4O8
20
139
395.8
mp-1225756
8.108912
12.240336
-0.912758
other
Cu1Ni4O5
10
139
94.99
mp-21118
-6.960168
-1.720929
5.667794
other
Sr1Mn2Ge2
5
139
96.04
mp-570399
-5.533072
-2.234065
5.391928
other
Nd1Cr2Si2
5
139
83.23
mp-1077918
10.961371
10.626483
1.040517
other
Sr2Tc1O4
7
139
95.84
mp-5429
-5.700193
-2.345431
5.670732
other
Tb1Si2Os2
5
139
83.73
mp-7109
-5.448108
-3.905394
4.738591
other
Lu1Si2Pt2
5
139
83.58
mp-28884
-6.036953
-2.156377
1.002986
other
Cs1Fe2As2
5
139
107.94
mp-753689
13.025847
10.26547
2.235027
other
Ba2Nb8O11
21
139
297.61
mp-1247299
1.483485
1.887541
1.062894
other
Ba2Cd1N2
5
139
124.94
mp-3579
-3.674541
-3.47586
-2.257596
other
U2Ge2Se2
6
139
135.44
mp-568832
-5.951355
-1.414434
1.707573
other
Y1P2Ru2
5
139
77.77
mp-1104490
-6.65948
-1.870961
5.886324
other
Pr1Al8Cr4
13
139
205.93
mp-552265
10.971665
8.892524
-2.367501
other
Bi2Se1O2
5
139
92.18
mp-1104134
-6.831588
-1.70643
5.987604
other
Nd1Mn4Al8
13
139
205.01
mp-20950
-5.328342
-3.915506
4.802258
other
Nd1Si2Pt2
5
139
90.26
mp-1246571
0.296044
2.477144
2.040625
other
Mn4Co2N4
10
139
94.51
mp-4195
-7.687955
-3.173273
4.224168
other
Tm1Ni2Ge2
5
139
77.65
mp-28786
-8.798553
-1.303875
4.048526
other
Zn1B2Ir2
5
139
55.79
mp-1077831
-6.570522
-5.497673
4.498728
other
Eu2Sc2Ge2
6
139
154.49
mp-5292
-5.483747
-3.2545
5.161566
other
Ca1Si2Ni2
5
139
75.68
mp-1232326
9.25236
9.279555
2.108977
other
La2Au1O4
7
139
109.83
mp-1206446
8.068484
0.721519
1.588679
other
Rb3Er1F6
10
139
242.85
mp-753371
-4.533955
-1.456221
-5.675766
other
Li4Cu4S4
12
139
246.24
mp-22788
-5.952092
-1.300032
1.84464
other
Eu1P2Ru2
5
139
87.82
mp-1209519
2.184779
2.614255
-3.865979
other
Pt4I8N8
20
139
520.29
mp-1206776
-5.017642
-3.285113
0.894115
other
Tb1P2Pd2
5
139
82.33
mp-626981
-8.031336
-3.056265
4.399848
other
Eu1Ge2Rh2
5
139
92.1
mp-1076970
-6.131056
-5.164652
2.144811
other
La2Sc2Sb2
6
139
173.72
mp-5459
11.256877
8.080338
2.964729
other
Nd2Te1O2
5
139
106.51
mp-12077
-6.461689
1.383023
4.112036
other
Y1Fe2B2
5
139
60.9
mp-1091385
-8.453976
-4.570003
2.363978
other
Pu1Al2Pd5
8
139
131.28
mp-18854
7.35803
11.444522
1.567461
other
Sr2Cr1O4
7
139
89.88
mp-4302
-7.721107
-3.329336
4.41572
other
Nd1Ni2Ge2
5
139
83.28
mp-610530
-7.532138
0.899667
4.047501
other
Gd1Co2B2
5
139
60.01
mp-1025172
-6.422782
-3.143224
4.455773
other
Ho1Ti2Ga4
7
139
121.93
mp-29881
0.194313
0.637217
-2.911726
other
Ca3Si1Br2
6
139
175.44
mp-754322
6.506299
10.507188
0.383849
other
Sr2Cu1O4
7
139
91.06
mp-5752
-5.74452
-2.872524
5.710098
other
Tb1Si2Ir2
5
139
82.28
mp-1025338
8.86858
0.868037
0.725071
other
Tl2Cu1F4
7
139
116.56
mp-570163
-7.38697
-4.751559
3.59716
other
Tm8Mn8Sn14
30
139
650.74
mp-1025365
-7.130721
-2.325639
4.867306
other
Sc1V2Ga4
7
139
107.25
mp-760417
-0.347485
2.798661
-3.559663
other
Rb4I2O1
7
139
282.75
mp-567909
-7.694986
-4.357
3.29594
other
Pr1Ni2Sn2
5
139
102.18
mp-569713
-7.363312
-5.110127
5.974504
other
La1Al2Zn2
5
139
98.62
mp-567458
-6.005446
-1.480188
1.802175
other
Ho1P2Ru2
5
139
76.96
mp-4729
-5.505239
-2.157024
5.707574
other
Er1Mn2Si2
5
139
77.48
mp-5671
-5.407079
-0.904623
1.191524
other
Sr1Co2P2
5
139
82.53
mp-1181539
3.592467
3.396054
-3.907382
other
Cu1Br2N6
9
139
141.55
mp-3995
-5.133071
-3.949187
5.570003
other
La1Cu2Si2
5
139
84.89
mp-581736
-5.758136
-2.400833
5.932514
other
Eu1Si2Ru2
5
139
87.31
mp-4660
-7.340224
-0.686652
5.379415
other
Tm1Fe2Ge2
5
139
81.36
mp-16486
-7.137564
-0.649441
5.810494
other
Ce1Al8Fe4
13
139
191.91
mp-1221440
11.882421
11.261834
-1.904
other
Na2W4O12
18
139
223.71
mp-1218737
1.594239
1.824844
1.356047
other
Sr2Ni1N2
5
139
92.51
mp-1079799
-5.839623
-5.809971
0.768875
other
Ba2Mn2Bi4
8
139
268.63
mp-8287
-3.670276
-3.905694
0.733236
other
Sm2Cu2P4
8
139
140.62
mp-20038
-5.560103
-0.817038
1.260175
other
Eu1Co2P2
5
139
77.72
mp-1220324
-5.387949
-3.877735
4.701418
other
Nd1Si2Pt2
5
139
92.55
mp-567513
-5.844409
-2.870172
5.694818
other
Ho1Si2Ir2
5
139
81.45
mp-20462
-7.53393
-2.757618
4.966344
other
U3Co4Ge7
14
139
232.51
mp-7878
-7.554105
-6.323338
3.348467
other
Ca1Ag2Ge2
5
139
101.87
mp-4181
8.580091
9.406576
2.16742
other
Pr2Cu1O4
7
139
97.62
mp-4854
-6.820212
-4.498194
5.316547
other
Nd2Sc2Ge2
6
139
149.21
mp-4815
-5.6549
-3.071556
5.834835
other
Pr1Si2Rh2
5
139
85.85
mp-5720
-5.852314
-2.388505
5.867055
other
Ho1Si2Ru2
5
139
82.06
mp-610787
-5.52812
-2.251377
5.331193
other
Gd1Cr2Si2
5
139
80.28
mp-7072
-5.576655
-2.802964
5.840427
other
Th1Co2Si2
5
139
78.32
mp-6956
-5.865786
-0.664969
1.977316
other
La1Fe2P2
5
139
78.97
mp-1147569
8.291269
9.812074
-0.174322
other
Na2Cu1O2
5
139
71.7
mp-4961
8.86629
8.984492
-0.354692
other
Na2Hg1O2
5
139
76.23
mp-570910
1.406046
2.520454
-5.766001
other
Rb2Cr1Cl4
7
139
201.97
mp-28895
-3.675565
-3.732341
0.47775
other
Ba1P4Pd2
7
139
139.9
mp-1207147
-4.964121
-4.635559
6.063381
other
Nd2Sc2Si2
6
139
153.15
mp-1101363
-1.167735
2.047691
-1.901633
other
Sr3Ca1I8
12
139
513.66
mp-558896
8.104831
1.667905
1.243681
other
Yb3S2F4
9
139
137.72
mp-568161
-6.241443
-3.579206
0.775317
other
Nd1Ni2Sb2
5
139
101.9
mp-1103523
-6.863133
-1.653406
5.956947
other
Lu1Mn4Al8
13
139
199.46
mp-1247370
1.400651
1.785809
1.31655
other
Ba2Mn1N2
5
139
112.53
mp-570100
-5.776205
-1.524424
0.998967
other
Tm1Ni2P2
5
139
67.67
mp-17435
-5.773491
-1.736348
5.110596
other
Zr8Fe8Si14
30
139
427.48
mp-19791
-7.758312
-2.211152
5.091938
other
Ca1Ge2Ru2
5
139
90.5
mp-866952
-3.317721
-1.676898
-5.626226
other
Ca5Sn4S13
22
139
545.35
mp-567769
-5.56383
-4.370561
4.912496
other
Ca1Si2Pd2
5
139
87.05
mp-4908
-7.904188
-2.327187
5.236075
other
Y1Co2Ge2
5
139
77.65
mp-5068
-5.506463
-3.913049
2.586178
other
Dy2Zr2Sb2
6
139
151.36
mp-5934
-5.191799
-3.935961
5.369895
other
Yb1Cu2Si2
5
139
79.87
mp-643257
3.36568
-0.525354
-2.454463
other
K2H4Pd1
7
139
129.1
mp-5386
-5.832088
-2.964927
5.685871
other
Er1Si2Rh2
5
139
80.11
mp-568961
-6.101453
-2.106869
1.329902
other
Ba1Fe2As2
5
139
98.01
mp-1214750
-7.84932
-4.554214
3.315506
other
Ba1In2Pt2
5
139
122.25