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-1093893
-1.603563
-8.306555
2.271067
other
Zr1Ta1Tc2
4
71
844.19
mp-1206412
-7.923463
-4.252765
6.195948
other
Nd2Ga1Co2
5
71
101.26
mp-1096322
-2.484318
-8.384178
1.627105
other
Sc2Ag1Rh1
4
71
974.99
mp-1095738
-3.542871
-8.490414
1.214559
other
Ba1Cd1Hg2
4
71
1,733.71
mp-1096468
-2.641612
-8.451001
1.526033
other
Li1Zn2Cu1
4
71
616.15
mp-1219335
-7.485394
0.796824
4.580625
other
Sm1Fe10Mo2
13
71
176.26
mp-1095848
-2.228627
-8.481667
1.669014
other
Zn1Fe1Co2
4
71
660.72
mp-1104210
-8.100194
-4.786252
4.805075
other
Ho3Ga9Pd2
14
71
257.16
mp-1096186
-3.193738
-8.410343
1.438529
other
Ca2Tl1Hg1
4
71
1,583.68
mp-1096262
-1.929015
-8.33311
2.160936
other
Mg1Zr2Tc1
4
71
1,666.51
mp-1095906
-3.172486
-8.180623
1.791653
other
Sr1La1Zn2
4
71
1,214.95
mp-1096616
-2.612219
-8.353475
1.730412
other
Mg1Zr1Cd2
4
71
1,217.67
mp-1097635
-3.588074
-8.036518
1.932196
other
Na1Sr2Ca1
4
71
2,327.69
mp-1096214
-3.262494
-8.254072
1.698161
other
Ca2Mg1Pb1
4
71
1,623.24
mp-1095865
-1.661951
-8.207776
2.105638
other
Ti2Fe1Rh1
4
71
644.51
mp-1096353
-1.687839
-8.405416
2.041833
other
Mn1V2Tc1
4
71
649.86
mp-1096167
-2.769795
-8.269875
1.638297
other
Li1Sc1In2
4
71
1,133.27
mp-1096281
-3.205487
-8.596959
1.36707
other
Li1Al1Hg2
4
71
950.1
mp-1209874
-7.648423
-3.994788
3.532621
other
Nd3Co6Sn5
14
71
268.72
mp-1102095
-5.264316
-4.042786
5.385716
other
Lu3Cu4Si4
11
71
177.06
mp-1229166
-4.379165
-3.295307
-3.1134
other
Cs1Np2Se6
9
71
272.47
mp-1105061
-8.219805
-3.806278
4.865783
other
Yb3Ga8Ir3
14
71
259.55
mp-1224152
-7.51587
0.812588
4.715758
other
Ho1V2Fe10
13
71
168.39
mp-2423265
6.95024
10.927576
-0.966968
other
K4Co4O8
16
71
243.7
mp-1220552
-8.983622
-5.256762
3.741623
other
Nd1In6Cu6
13
71
237.86
mp-1097132
-2.961257
-8.478755
1.692729
other
Y2Hg1Pb1
4
71
1,438.08
mp-1206476
-8.063295
-3.712853
5.868846
other
Dy2Ga1Co2
5
71
90.46
mp-1095968
-1.600187
-8.365955
2.283595
other
Nb1Cr1Tc2
4
71
776.75
mp-1101786
-8.044331
-5.339041
3.314134
other
Tm3Cu4Sn4
11
71
219.81
mp-1096357
-1.91688
-8.261872
1.972256
other
Ta1Mn2Ga1
4
71
857.81
mp-1097454
-2.171528
-8.466476
1.474161
other
Sc1Cd1Pt2
4
71
895.29
mp-1096079
-2.781852
-8.307649
1.504505
other
Li2Tl1Rh1
4
71
1,155.3
mp-1096348
-2.722804
-8.280498
1.556488
other
Li2Al1Au1
4
71
830.92
mp-1096656
-1.746365
-8.183485
2.288878
other
Ta2Cr1Re1
4
71
867.75
mp-1097590
-3.239107
-8.715631
1.10295
other
Cd1In1Hg2
4
71
1,307.56
mp-10531
-4.992932
-4.22649
6.320454
other
Lu2Al1Si2
5
71
94.69
mp-1095762
-1.602654
-8.608978
2.058571
other
Mg1Ru2W1
4
71
788.01
mp-1097118
-2.50457
-8.31919
1.901625
other
Sc2Al1Ga1
4
71
977.86
mp-1097302
-1.680729
-8.282618
2.246177
other
Ti2Nb1Rh1
4
71
850.03
mp-1096740
-1.517841
-8.329081
2.294075
other
Ti2Fe1Re1
4
71
615.59
mp-1093619
-2.855784
-8.424094
1.511186
other
Sc1Tl1Ag2
4
71
1,254.14
mp-1095917
-2.193531
-8.377554
1.424741
other
Al1Ga1Pd2
4
71
777.08
mp-1093637
-2.613601
-8.339044
1.612998
other
Y1Tl1Pd2
4
71
1,015.19
mp-1096016
-3.174053
-8.338928
1.572576
other
Ca2In1Pb1
4
71
1,680.13
mp-1097662
-1.632541
-8.307103
2.253329
other
Nb1In1Tc2
4
71
902.88
mp-1093706
-2.201568
-8.300098
1.817069
other
Hf1Sc1Ni2
4
71
715.23
mp-1096384
-1.522139
-8.498816
2.316189
other
Nb1Cr2Tc1
4
71
922.58
mp-1224510
-4.617834
0.425003
3.030253
other
Hf1Nb8B12
21
71
225.06
mp-1097214
-3.557331
-8.167516
1.309497
other
Tl2In1Bi1
4
71
1,347.31
mp-1096093
-2.79146
-8.331726
1.80261
other
Li1Y2Cd1
4
71
1,413.99
mp-1222160
17.006451
9.47367
7.413584
other
Mg4Cu1O5
10
71
96.39
mp-1096519
-2.1186
-8.394037
1.800119
other
Nb1Cu1Rh2
4
71
683.3
mp-1096576
-2.10151
-8.329556
1.90393
other
Al2Cu1Tc1
4
71
627.39
mp-1096552
-2.926973
-8.260191
1.568997
other
Li2Zn1In1
4
71
1,024.21
mp-1226901
9.593302
9.048259
2.760315
other
Ce4Sn1O10
15
71
198.41
mp-1097627
-2.928615
-8.638903
1.443105
other
Sc1Hg1Au2
4
71
1,021.15
mp-1097331
-3.082766
-8.136951
1.65985
other
Li2Ca1Ga1
4
71
1,311.33
mp-1068296
-5.667331
0.335427
3.140464
other
Fe1B2W2
5
71
51.05
mp-1219370
-9.010046
-5.265232
3.701908
other
Sm1In6Cu6
13
71
236.02
mp-29132
2.309592
2.869457
-4.710454
other
Ru1Cl2O1
4
71
75.07
mp-1394400
8.456792
1.586951
1.432603
other
Y1Sn1F5
7
71
140.52
mp-1093824
-3.469869
-7.638304
1.752855
other
Ba2Ag1Pd1
4
71
1,611.42
mp-1097642
-3.630863
-7.678408
1.725712
other
Ba2Ag1Au1
4
71
1,683.29
mp-1097547
-1.554072
-8.275166
2.229105
other
Nb2Os1Ru1
4
71
732.17
mp-1096398
-2.079648
-8.371067
2.28122
other
Zr2Fe1Co1
4
71
831.27
mp-1095892
-2.6727
-8.558437
1.415878
other
Mg1Ga1Au2
4
71
924.25
mp-1096716
-2.993054
-8.31785
1.658073
other
Ca1Y1Cd2
4
71
1,533.91
mp-1206300
-7.887533
-3.313272
4.516671
other
Ce3Ge4Rh4
11
71
216.87
mp-1097247
-3.532486
-7.612263
1.540122
other
K1Rb1Au2
4
71
1,512.19
mp-1104960
-5.343385
-3.883175
5.469465
other
Sc3Cu4Si4
11
71
164.34
mp-1097534
-1.710334
-8.342672
2.2093
other
Nb1Tc2Sn1
4
71
835.51
mp-1097615
-3.564426
-7.841859
1.667549
other
Ba2Mg1Hg1
4
71
1,759.58
mp-1093612
-2.532292
-8.376485
1.728341
other
Y2Ir1Au1
4
71
1,095.46
mp-1095970
-2.457366
-8.441431
1.558033
other
Fe1Cu1Pd2
4
71
807.08
mp-1093880
-2.292809
-8.40262
1.743031
other
Y1Ti1Pd2
4
71
990.35
mp-1176398
7.970098
10.353005
-0.311616
other
Na2Cu3O4
9
71
102.43
mp-1097651
-2.185447
-8.38719
1.81656
other
Be2Cu1Ni1
4
71
478.69
mp-1097205
-2.699059
-8.551224
1.339128
other
Mg1In1Au2
4
71
983.98
mp-1097236
-2.891694
-8.378883
1.510119
other
Li2Sn1Pb1
4
71
1,118.36
mp-1095807
-2.719682
-8.656116
1.540276
other
Sc1Sn1Au2
4
71
989.16
mp-1093605
-1.604978
-8.170292
2.154999
other
Ta2Os1Ru1
4
71
730.89
mp-1096107
-2.656778
-8.362826
1.427527
other
Li1Mg1Sn2
4
71
1,064.06
mp-1097353
-2.883232
-8.489305
1.467166
other
Y1Bi1Au2
4
71
1,132.15
mp-1093716
-2.683696
-8.479468
1.604753
other
Y1Pd1Au2
4
71
1,075.09
mp-1225218
-7.496129
0.757396
4.502018
other
Er1Fe10Mo2
13
71
172.62
mp-1096496
-2.935152
-8.364227
1.395513
other
Na1Zn2Au1
4
71
1,058.57
mp-1096393
-2.70494
-8.413466
1.513664
other
Li1Ga2Au1
4
71
807.57
mp-1095741
-2.369879
-8.491923
1.35385
other
Mg1Zn2Pt1
4
71
776.63
mp-1096300
-2.726618
-8.347858
1.754236
other
Y2In1Cu1
4
71
1,286.74
mp-1096644
-2.022206
-8.444057
1.803416
other
Al2Os1Rh1
4
71
685.56
mp-1096124
-2.936949
-8.361533
1.551162
other
Li2Cd1In1
4
71
1,044.54
mp-1096558
-2.283554
-8.432336
1.753932
other
Be1Co2B1
4
71
435.37
mp-1096642
-2.765639
-8.462464
1.567769
other
Y1Mn1Au2
4
71
1,240.44
mp-1097608
-1.631342
-8.228311
2.128252
other
Ti2Mn1Tc1
4
71
759.43
mp-8622
-4.687566
-2.620159
-3.609288
other
Rb2Pt1Se2
5
71
147.51
mp-1097589
-1.507945
-8.257656
2.334724
other
Ta1V1Mo2
4
71
772.62
mp-1208573
-7.931095
-6.485682
6.63305
other
Tb12Co5Bi1
18
71
447.75
mp-1096441
-2.117392
-8.474874
1.55933
other
Ga2Co1Rh1
4
71
813.93
mp-1093844
-1.95447
-8.392725
1.623516
other
Cr1Ga1Rh2
4
71
676.39
mp-1225683
-7.683554
0.768772
4.778141
other
Dy1Cr2Fe10
13
71
165.93