mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
-12.01
23.9
z
float64
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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-978286
-7.907086
-10.834213
5.57468
other
Mg3Mn1
4
221
79.37
mp-1183420
-5.395731
-5.263366
3.161751
other
Be1Ge3
4
221
68.08
mp-1187486
-5.694109
-6.786001
1.43048
other
Tl3Sb1
4
221
120.81
mp-11261
-9.037707
-6.470953
3.800305
other
Y1Au1
2
221
46.14
mp-1184575
-7.212826
-6.740834
7.020649
other
Ho3Er1
4
221
123.94
mp-23289
1.217399
2.290378
-5.616645
other
K1Cl1
2
221
56.59
mp-1185925
-5.885634
-1.379837
1.845565
other
Mn3I1
4
221
60.11
mp-21085
-7.603817
-4.383604
2.27833
other
Pu1Pd3
4
221
70.5
mp-21008
-7.944224
-1.552583
2.460441
other
Ni3Ge1
4
221
44
mp-568106
-5.430707
-6.173054
5.343034
other
Mg41Al67
108
221
2,023.09
mp-1518
-8.688746
-2.704586
3.894269
other
Ce1Rh3
4
221
65.78
mp-1185494
-7.517348
-1.272433
5.265717
other
Lu1Mn3
4
221
66.3
mp-1186225
-7.096251
-1.53159
4.356233
other
Nb1Os3
4
221
60.28
mp-981545
-6.945631
-6.540426
6.853673
other
Ho3Zr1
4
221
114.22
mp-2773
-6.679019
-0.813048
3.973916
other
Be1Co1
2
221
17.01
mp-12599
-7.448707
-7.34695
5.463924
other
Pr1Tl1
2
221
60.04
mp-977
-7.874565
-6.158659
4.921879
other
Lu1In3
4
221
95.69
mp-1060962
-4.50887
-5.614531
2.473658
other
Tl1C1
2
221
33.84
mp-985282
-7.755097
-6.461853
2.066976
other
Ag3Ge1
4
221
72.14
mp-1007656
-8.549022
-4.421951
2.377813
other
Hf1Pd3
4
221
62.98
mp-20258
-7.973436
-6.188292
4.998262
other
Gd1In3
4
221
99.85
mp-2228
-7.881033
-8.931326
6.840095
other
Er1Mg1
2
221
53.18
mp-979114
-5.973786
-5.897563
5.785392
other
Th3U1
4
221
119.54
mp-867248
-6.363948
-5.372044
1.162032
other
La1Bi3
4
221
125.88
mp-1183480
-5.086999
-7.36013
4.168789
other
Ca3Lu1
4
221
154.14
mp-569352
-7.245477
-7.409524
4.721185
other
Nd1Tl3
4
221
110.26
mp-1183446
-6.504506
-5.519382
0.523685
other
Bi3Au1
4
221
112.43
mp-1977
-7.196913
-5.70103
3.704906
other
Nd1Sn3
4
221
108.02
mp-1186967
-7.805332
-5.623268
5.119084
other
Sc3Hg1
4
221
88.99
mp-12086
-9.011537
-4.387988
3.361033
other
Cu3Pt1
4
221
49.96
mp-1186880
-3.93069
-7.090878
2.391937
other
Rb3Zr1
4
221
241.35
mp-983230
-5.8603
-5.829873
3.869759
other
Ga3B1
4
221
62.1
mp-2516
-8.441736
-6.837982
5.335005
other
Y1Zn1
2
221
45.21
mp-1291
-7.910006
-6.010784
4.858023
other
Er1In3
4
221
96.96
mp-1187906
-8.105023
-5.814945
2.885993
other
Zn3N1
4
221
48.88
mp-1009220
3.393817
-0.678153
-2.376512
other
Na1H1
2
221
25.81
mp-1183210
-7.53356
-7.475805
1.807566
other
Ag1Hg3
4
221
91.42
mp-2415
-7.262832
-7.479143
4.616129
other
Dy1Tl3
4
221
104.95
mp-1008279
-7.197575
-0.293156
3.419248
other
Co3Mo1
4
221
45.22
mp-10680
-4.181389
-3.286481
-3.998088
other
Ba1Se1
2
221
64.7
mp-974627
-4.336131
-7.204712
1.750142
other
K3Tl1
4
221
206.05
mp-1187864
-5.109477
-5.053536
4.407802
other
Y1Np3
4
221
101.82
mp-1184361
-6.324902
-6.093435
3.269223
other
Ga3Pb1
4
221
92.74
mp-1094958
-7.80283
-9.616746
6.815965
other
Hf1Mg3
4
221
87.14
mp-1184845
-4.131633
-7.118902
2.111153
other
K3Li1
4
221
236.62
mp-11222
-7.359879
-6.615525
6.946125
other
Sm3Al1
4
221
113.96
mp-20828
-7.954968
-3.237384
2.382201
other
Pt3Pb1
4
221
68.91
mp-570291
-7.759065
-4.713807
5.656555
other
Dy1Ga3
4
221
76.24
mp-12983
-6.064561
-4.798646
1.763506
other
Sc1Sb1
2
221
47.81
mp-188
-8.022425
-2.873552
2.712206
other
Al1Pt3
4
221
58.86
mp-11570
-7.158962
-5.592037
3.433066
other
Tb1Sn3
4
221
103.69
mp-2333
-8.660687
-4.428757
2.537404
other
Nd1Pd3
4
221
72.5
mp-1183075
-6.222126
-7.873295
5.217811
other
Ac3Cr1
4
221
150.45
mp-1017519
-5.353545
-0.471153
2.641244
other
Ir1C1
2
221
20.35
mp-1431697
10.56391
9.059502
-0.37619
other
Sb1N1
2
221
28.39
mp-1183300
-4.698966
-6.696303
3.418098
other
Ba3Se1
4
221
162.5
mp-1681
-6.927009
-6.287087
5.567562
other
La3Sn1
4
221
127.92
mp-1183761
-6.998119
-6.510189
6.529866
other
Ce1Er3
4
221
122.05
mp-971703
-6.499064
-1.266134
3.871273
other
V3Ag1
4
221
58.48
mp-1212658
4.458539
2.450189
-3.131834
other
Ga1C6
7
221
156.6
mp-862970
-7.364973
-7.448299
4.843393
other
Pm1Tl3
4
221
108.9
mp-11541
-6.951062
-2.43978
4.440495
other
Zr1Os1
2
221
35.17
mp-1187305
-7.16717
-6.574484
6.858996
other
Tb3Sc1
4
221
120.57
mp-1185395
-6.928368
-7.157683
6.840714
other
Li1Pm3
4
221
124.92
mp-13132
2.225068
1.597933
2.21408
other
La1N1
2
221
31.87
mp-1187500
-6.433812
-6.674155
1.63707
other
Tl3Cl1
4
221
126.03
mp-20786
-7.939943
-6.603125
6.271938
other
Dy3In1
4
221
112.53
mp-12793
-7.33399
-5.946342
6.598008
other
Nd1Al1
2
221
51.74
mp-979269
-6.141955
-7.185766
1.984844
other
Tl3Cd1
4
221
113.18
mp-980945
-5.544486
-3.000031
3.769892
other
Ti3Nb1
4
221
70.62
mp-2417
-8.426951
-2.521254
3.979572
other
Dy1Ir3
4
221
66.81
mp-1184853
-6.008289
-6.640718
3.175006
other
In3Si1
4
221
97.24
mp-1183514
-5.195388
-7.36926
4.169122
other
Ca3Y1
4
221
158.59
mp-11257
-9.053035
-6.504415
3.698396
other
Sm1Au1
2
221
48.6
mp-33032
9.584135
8.576138
2.821177
other
La2O3
5
221
95.59
mp-1061123
-5.930357
-2.430143
4.508462
other
Ti1Al1
2
221
32.13
mp-1184429
-5.528252
-7.404446
4.434577
other
Eu3Th1
4
221
154.66
mp-571188
-7.361205
-6.560162
6.183466
other
Pr3Sn1
4
221
123.72
mp-976799
-7.485507
-2.261991
1.296152
other
Ni3Bi1
4
221
55.83
mp-978303
-8.074012
-10.75968
6.530504
other
Mg3Re1
4
221
71.72
mp-1198736
-7.697408
-7.069726
3.016237
other
Nd3Cd33
36
221
814.82
mp-977997
-6.006828
-0.978104
3.468646
other
Zn1Mo3
4
221
61.31
mp-30825
-8.700132
-2.604303
3.762951
other
Pa1Rh3
4
221
65.49
mp-1009826
-6.431483
-1.395024
3.665391
other
Ta1Co1
2
221
28.89
mp-495
-7.630069
-4.6324
5.621697
other
Lu1Ga3
4
221
72.9
mp-2393
-7.248391
-7.447942
4.559778
other
Y1Tl3
4
221
105.88
mp-21253
-5.998371
-8.178309
4.863137
other
Eu1Mg1
2
221
66
mp-975511
-5.798793
-5.458565
0.653456
other
In1Sb3
4
221
111.03
mp-1184849
-3.894037
-7.160437
2.122602
other
K3Mg1
4
221
218.76
mp-1009128
0.567866
2.275331
2.311324
other
Mn1N1
2
221
16.21
mp-607223
-5.223539
-4.797427
4.182036
other
Np3In1
4
221
96.14
mp-1183401
-6.601714
-0.872587
4.103611
other
Be1Cr3
4
221
43.29
mp-19390
10.458282
11.153097
-3.043295
other
W1O3
4
221
55.14
mp-1008278
-6.778993
-0.611724
3.796057
other
Cr3Ni1
4
221
45.47
mp-1185081
-5.147215
-7.44106
3.546369
other
K1Eu3
4
221
203.82
mp-1420858
1.949554
2.145873
0.816672
other
Bi1N1
2
221
32.14
mp-11478
-7.804756
-6.439546
2.451707
other
Ga1Ag1
2
221
36.5
mp-1186709
-5.575144
-3.934926
3.252799
other
Mn1Ge3
4
221
63.57
mp-11258
-9.13387
-6.496438
3.710863
other
Tb1Au1
2
221
46.22
mp-1183331
-4.704257
-7.272417
3.798382
other
Ba3Th1
4
221
194.05