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-961646
-5.917678
-2.255624
-0.642709
other
Ti1Te1Os1
3
216
58.73
mp-1077082
-9.186305
-1.458275
2.791739
other
Tb1Cd1Ni4
6
216
84.71
mp-1215252
-6.096974
-1.335934
3.895195
other
Zr1Al1W4
6
216
108.07
mp-631551
-6.843518
-1.501983
4.792727
other
Mn1Al1Tc1
3
216
49.4
mp-30582
-8.044241
-7.493099
3.176126
other
Hf1Cu1Hg2
4
216
75.9
mp-1221375
-3.958605
-5.990755
4.781144
other
Na2Ca1Si1
4
216
98.8
mp-3726
-7.944823
-5.246467
3.32547
other
Li2Ga1Pt1
4
216
54.14
mp-1221620
-7.263234
-0.053461
4.152052
other
Mn1Al1Fe2
4
216
49.18
mp-16246
-6.418805
-5.437392
0.822267
other
Cd1Sb1Au1
3
216
72.02
mp-30466
-6.533361
-5.138371
0.882161
other
Yb1Bi1Pd1
3
216
77.8
mp-1009547
-4.473029
-5.735418
0.637731
other
Cs1Rb1As1
3
216
156.11
mp-1071645
-9.459913
-4.787406
4.108274
other
Y1In1Cu4
6
216
92.46
mp-1071839
-9.200838
-4.41337
3.947336
other
U1Cu4Au1
6
216
91.26
mp-1100393
-4.796807
-2.751316
-4.008248
other
Li1Ag1Se1
3
216
56.04
mp-961656
-6.08122
-2.0133
-0.494878
other
V1Fe1Te1
3
216
49.62
mp-631435
-5.766925
-1.169557
3.595124
other
Re1Ru1Br1
3
216
56.43
mp-962061
-6.95435
-7.281357
5.270325
other
Y1Mg1Tl1
3
216
91.66
mp-1206720
-6.533945
-5.098722
0.84241
other
Pr1Bi1Pd1
3
216
80.86
mp-1206095
-9.576313
-4.869075
4.125865
other
Sm1In1Cu4
6
216
94.68
mp-631319
-5.764522
-2.850293
4.581694
other
Li1Ti1Re1
3
216
52.98
mp-1072553
-9.139575
-1.454234
2.829017
other
Tm1Cd1Ni4
6
216
82.78
mp-631696
-6.503669
-5.909238
4.229738
other
Ca2Co1W1
4
216
78.73
mp-1222785
-6.991521
-4.639781
6.401787
other
La1Nd1Al4
6
216
131.74
mp-22276
-7.455682
-0.845438
3.537489
other
Mn2In1Co1
4
216
58.84
mp-1222695
-7.869969
-9.174728
6.642585
other
La1Y1Mg4
6
216
162.69
mp-568466
-6.564995
-6.791141
2.452837
other
Li1In1Sn1
3
216
78.02
mp-1071051
-9.608547
-4.753119
4.321186
other
Nd1Mg1Cu4
6
216
95.74
mp-1207519
-8.811634
-1.618427
2.767551
other
Yb1Ni4Sn1
6
216
83.77
mp-961648
-3.558404
-4.981826
1.12044
other
K1Ba1P1
3
216
99.86
mp-631458
-5.705611
-6.074449
1.013587
other
Ca1Re1Bi1
3
216
77.12
mp-37906
2.189117
2.221462
1.509674
other
Li1Mg1N1
3
216
30.45
mp-1213974
-8.210297
-6.314315
1.952084
other
Ca1Bi1Au4
6
216
127.8
mp-1227289
-5.254084
-1.107387
4.570872
other
Be4Co1Ge1
6
216
55.28
mp-1206218
-9.085914
-1.656915
2.825992
other
Nd1In1Ni4
6
216
88.68
mp-631464
-3.159983
-7.679643
1.809575
other
K1Be1Pt1
3
216
69.2
mp-961675
-5.793351
-1.773025
1.222508
other
Sc1Ni1P1
3
216
45.67
mp-1217206
12.1988
9.040524
2.489115
other
Ti16Cu8O4
28
216
377.1
mp-631303
-6.221045
-1.751424
3.713247
other
In1Re1Ge1
3
216
61.16
mp-30848
-7.314797
-4.031882
3.174994
other
U1Sn1Pt1
3
216
73.92
mp-570213
-5.959836
-6.10864
0.505119
other
Li1Mg1Bi1
3
216
77.94
mp-631408
-3.402169
-5.732155
5.693053
other
K1Si2Hg1
4
216
94.02
mp-631256
-6.748149
-0.025412
3.680603
other
Fe1Ni1Mo1
3
216
43.41
mp-1224275
-6.057984
-1.565723
3.964235
other
Hf1Ta1V4
6
216
93.95
mp-866208
-6.380158
-6.832866
4.04647
other
Yb16Mg4Pd4
24
216
734.16
mp-1077397
-8.992474
-1.473018
2.896564
other
Sc1Cd1Ni4
6
216
79.34
mp-1211003
-7.997418
-6.441484
6.508756
other
Lu16Mg4Ni4
24
216
588.76
mp-605878
-7.604867
-6.280509
6.474615
other
La16Mg4Ru4
24
216
734.52
mp-1228748
-4.692282
-0.885786
-5.97135
other
Al4Cr1S8
13
216
242.11
mp-35555
8.540324
1.981302
2.472932
other
La1O1F1
3
216
47.96
mp-10180
-6.123472
-4.978873
0.764525
other
Li2Sb1Pd1
4
216
63.65
mp-1207825
-7.568929
-6.59042
6.617343
other
Y16Mg4Ni4
24
216
641.32
mp-1100401
-5.928891
-6.61521
4.870069
other
Y1Cd1B1
3
216
57.72
mp-1206953
-6.701561
-4.994891
0.858251
other
Er1Bi1Pd1
3
216
73.25
mp-636297
-6.63691
-3.848297
3.382004
other
Hf1Ni1Sn1
3
216
66.1
mp-1227230
-6.726987
-4.781479
5.977716
other
Ca1Dy1Al4
6
216
124.19
mp-631424
-5.611828
-0.767251
3.284904
other
Re1W2Br1
4
216
66.4
mp-1208937
-8.353403
-6.691113
6.880482
other
Sm16Cd4Ir4
24
216
663.97
mp-1215908
-8.660506
-0.496664
5.025874
other
Y1Ho1Co4
6
216
91.23
mp-631398
1.984998
2.805989
-4.543821
other
Te1Os1Cl2
4
216
74.03
mp-961723
-5.946368
-7.028197
3.879518
other
Li1Ca1Rh1
3
216
59.87
mp-31441
-8.25635
-4.439816
4.2893
other
Li2Ga1Ir1
4
216
52.4
mp-35208
8.546207
2.120463
2.444118
other
Nd1O1F1
3
216
45.2
mp-631399
1.873219
2.639102
-4.777181
other
Os1Pt1Cl2
4
216
65.95
mp-669370
-5.341724
-2.126412
3.368788
other
Ta20Au4S4
28
216
495.05
mp-1209278
-5.966206
-4.621543
0.928586
other
Tb6Cu40Sb22
68
216
1,210.74
mp-7575
2.055693
2.12332
1.382619
other
Li1Zn1N1
3
216
28.78
mp-1206679
-6.606019
-4.81545
0.919845
other
Y1Bi1Pt1
3
216
75.44
mp-1213878
-7.250693
-5.433508
5.419583
other
Ce16Cd4Ir4
24
216
656.59
mp-631539
-5.941595
-5.70243
2.350453
other
Bi1B1Cl1
3
216
72.79
mp-631514
-5.069095
-6.263708
3.987806
other
Al1B2Pb1
4
216
65.37
mp-1222079
-6.801664
-11.143902
5.215891
other
Mg4Si1Sn1
6
216
130.37
mp-631520
-5.551515
-4.094815
-1.330961
other
Tl1B1Te2
4
216
103.81
mp-1222651
-6.346153
-6.874308
3.634323
other
Li2Mg1Ge1
4
216
65.08
mp-9124
-4.993843
-4.991744
0.104553
other
Li1Zn1As1
3
216
51.47
mp-631561
-6.035911
-3.699414
3.681301
other
Zr1Ag1Mo1
3
216
64.86
mp-961650
-7.561198
-2.591239
4.291158
other
Al1V1Ni1
3
216
46.3
mp-1207794
-7.749589
-6.564307
6.542283
other
Y16Cd4Ni4
24
216
621.01
mp-11839
-6.436169
-4.018287
0.698907
other
Gd1Sb1Pt1
3
216
72.81
mp-569703
-8.991426
-6.153666
4.767629
other
Ce20Mg19Zn81
120
216
2,269.34
mp-10194
-6.550585
-3.846454
0.798358
other
Lu1Sb1Pt1
3
216
68.13
mp-1018118
-6.348398
-4.433268
0.999296
other
Tm1Sb1Pd1
3
216
74.94
mp-567435
-6.484588
-4.469596
3.273035
other
U1Ni1Sn1
3
216
84.37
mp-1206997
-7.622127
-1.574184
4.344473
other
Mn1Ga1Ru1
3
216
49.04
mp-674514
-4.176105
-1.346329
-5.787465
other
In5Cu1S8
14
216
302.39
mp-1222613
-6.356111
-7.273729
3.227437
other
Li2Mg1Tl1
4
216
77.56
mp-1224259
-5.777371
-1.527057
3.724818
other
Hf1Ti1Mo4
6
216
106.05
mp-1222606
-5.558975
-6.004375
0.602694
other
Li2Zn1Sb1
4
216
76.4
mp-961665
-7.755051
-5.470792
5.221121
other
Mg1Sc1Ga1
3
216
67.96
mp-999059
-6.041502
-2.092649
4.304193
other
Ti2Ga1Fe1
4
216
57.08
mp-605835
-7.992634
-6.72161
7.000958
other
Nd16Mg4Ru4
24
216
699.87
mp-1226553
-7.190191
-4.177676
5.87754
other
Ce1Sc1Al4
6
216
118.77
mp-1008813
8.443958
8.560291
-0.424367
other
Rb1Ag1O1
3
216
65.02
mp-1077340
-9.312031
-1.542764
2.781659
other
Ho1Ni4Au1
6
216
81.61
mp-631519
2.394886
2.899702
-4.466858
other
Tl1B1Cl2
4
216
91.69
mp-1226528
-7.061001
-4.411646
6.092751
other
Ce1Y1Al4
6
216
126.1
mp-631509
-5.549377
-5.629981
4.064608
other
Zr1Be1Cd1
3
216
66.43
mp-571107
-8.432234
-6.317738
6.247216
other
Er16In4Rh4
24
216
609.42
mp-1227275
-5.011289
-1.501068
4.568919
other
Be4Al1Cu1
6
216
56.55
mp-1222280
-6.528925
-6.814659
2.449507
original
Li1In1Sn1
3
216
75.69
mp-672375
-6.158476
-6.049874
3.280666
other
Th1Ni1Sn1
3
216
86.36