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-999256
-2.797858
0.069466
2.872227
other
Sc2Mn1C1
4
216
51.8
mp-1077428
-9.637985
-4.990999
4.035785
other
Nd1Cu4Ag1
6
216
92.53
mp-1209989
-8.05517
-6.687892
6.564271
other
Nd16Cd4Pt4
24
216
705.59
mp-1209063
-4.319801
-1.397505
-0.465714
other
Re4As5S4
13
216
246.37
mp-1228804
-6.981877
-0.047154
4.093746
other
Al1V1Fe2
4
216
50.07
mp-22589
-6.469374
-3.604048
3.489234
other
Ti1Fe1Sn1
3
216
60.3
mp-31457
-6.371185
-3.317217
1.392094
other
Zr1Sb1Ru1
3
216
63.01
mp-1212943
-8.351401
-6.380534
6.375906
other
Er16Mg4Rh4
24
216
621.42
mp-1207117
-6.907243
-0.306765
3.27647
other
Fe2Co1Si1
4
216
42.95
mp-1071877
-9.056386
-4.352573
3.977966
other
U1Cu4Pd1
6
216
87.6
mp-961655
-7.628022
-6.64279
5.179682
other
Y1Cd1Ga1
3
216
83.59
mp-631484
-5.543124
-3.308946
3.904466
other
Ta1Ti1Al1
3
216
63.94
mp-550759
6.618674
5.81174
-3.346491
other
Rb1Cl1O4
6
216
106.3
mp-10624
-6.021657
-3.91892
1.266406
original
U1Sb1Rh1
3
216
70.64
mp-631257
-2.860415
-1.047861
-4.240955
other
As1Se1Br1
3
216
79.59
mp-1209893
-1.433054
0.595405
-3.645442
other
Nb4S4Br4
12
216
280.7
mp-962065
-5.533362
-7.081874
3.404407
other
Sr1Ca1Sn1
3
216
114.21
mp-1215186
-7.836363
-1.061085
4.327321
other
Zr1Ti1Co4
6
216
79.41
mp-999557
-7.363451
-1.831343
3.18445
other
Mn2Sn1Ru1
4
216
61.96
mp-4174
-6.184551
-3.845117
0.799055
other
Ho1Ni1Sb1
3
216
62.24
mp-1226518
-6.98347
-4.353343
6.043921
other
Ce1Nd1Al4
6
216
126.55
mp-1208958
-8.210694
-6.671481
6.8831
other
Sm16Mg4Ir4
24
216
682.28
mp-1100410
-6.000607
-2.182992
3.124163
other
Ta1P1Ru1
3
216
52.67
mp-1100413
-5.25106
-1.098125
3.553348
other
Ti1Cu1B1
3
216
35.9
mp-961653
-6.143657
-0.735953
3.49238
other
Fe1Si1W1
3
216
42.67
mp-1100432
-4.919586
-4.77547
5.223472
other
Sc1Si1Ag1
3
216
64.99
mp-582119
-8.220398
-6.385377
6.425189
other
Tb16In4Rh4
24
216
637.19
mp-777760
7.561526
8.397238
-0.270641
other
Tb4Ce4O16
24
216
327.99
mp-631395
-6.135338
-4.645001
4.196018
other
Ca1Ta1Tc1
3
216
66.19
mp-21504
-5.317238
-1.5029
-3.285223
other
V4Ga1Se8
13
216
265.66
mp-631703
-5.666132
-2.243286
4.103966
other
Ba1Re2Sn1
4
216
86.93
mp-1210928
-8.480271
-6.391436
6.444022
other
Lu16In4Rh4
24
216
585.65
mp-631410
-3.662566
-4.400819
0.830846
other
Cd1Ni1P1
3
216
54.51
mp-631494
-7.842043
-5.607476
3.201624
other
Sr1Cr1Pd2
4
216
80.74
mp-1018135
-4.963555
-5.257665
0.287631
other
Li1Cd1As1
3
216
61.83
mp-1219072
-7.650936
0.032578
5.78983
other
Sm1Er1Fe4
6
216
97.94
mp-1222650
-7.106785
-6.997442
2.915058
other
Li2Mg1Au1
4
216
65.26
mp-1221616
-6.791049
-2.891153
1.100114
other
Mn1Co1Sb1
3
216
53.3
mp-16327
-6.492199
-3.889
0.766677
other
Dy1Sb1Pt1
3
216
70.92
mp-570592
-8.034595
-6.54558
6.746873
other
Tb16Cd4Co4
24
216
603.45
mp-1218345
-5.922677
-5.450018
5.009635
other
Sr1Ca1Al4
6
216
134.6
mp-1025113
-8.202585
-3.293874
2.53027
other
Dy1In1Pt4
6
216
111.78
mp-672356
-6.86779
-3.247174
0.727511
other
Mn1Sb1Pt1
3
216
57.94
mp-545756
11.326073
3.930371
-7.5683
other
Zn1S1O4
6
216
116.17
mp-1207807
-7.981915
-6.588755
6.741306
other
Y16Mg4Rh4
24
216
655.69
mp-961725
-8.044959
-2.588379
3.973368
other
Cr1Ge1Rh1
3
216
49.19
mp-1222920
-6.994285
-4.409449
6.043856
other
La1Ce1Al4
6
216
129.35
mp-1100419
-5.705484
-2.37765
-0.617838
other
Hf1Te1Ru1
3
216
64.41
mp-1077518
-9.478373
-4.438034
3.885262
other
Er1Cu4Pd1
6
216
84.4
mp-1100392
-4.488777
-4.088686
5.522686
other
Li1Si1B1
3
216
31.43
mp-1207082
-5.507577
-6.028629
0.457775
other
Li1Mg1Sb1
3
216
72.65
mp-22465
-7.475364
-1.652341
2.743305
other
Mn2Co1Sn1
4
216
57.92
mp-999249
-7.284111
-3.356664
5.327154
other
Sc2Mn1Ge1
4
216
67.31
mp-1100424
-5.467842
-5.985339
0.474059
other
Li1Mg1Sb1
3
216
73.74
mp-631475
-8.851221
-5.447898
3.654104
other
Tl1Zn2Tc1
4
216
65.32
mp-1218992
-7.652347
-0.053915
5.820823
other
Sm1Y1Fe4
6
216
100.64
mp-1222607
-7.796577
-5.217986
2.901387
other
Li2Sn1Pt1
4
216
62.65
mp-961651
-0.195232
1.240624
-1.082494
other
Zr1Fe1Se1
3
216
50.08
mp-1222647
-6.175469
-7.217807
3.717194
other
Li2Mg1Ga1
4
216
67.81
mp-13079
-7.417389
-0.83728
3.866656
other
Mn2Al1Co1
4
216
47.34
mp-1221866
-6.686748
-2.551527
0.987973
other
Mn8Co8Sb8
24
216
393.87
mp-1207818
-7.918333
-6.567887
6.48022
other
Y16Cd4Pd4
24
216
647.69
mp-1206989
-6.646742
-4.755999
0.891544
other
Tb1Bi1Pt1
3
216
75.54
mp-1215210
-6.147564
-1.100915
4.084968
other
Zr1Si1W4
6
216
107.27
mp-961687
-7.878273
-4.86637
2.86727
other
Zr1Sn1Pd1
3
216
64.4
mp-570014
-6.441263
-4.208025
0.919495
other
Yb1Sb1Pt1
3
216
72.88
mp-1207188
-6.391093
-4.246048
0.915236
other
Sm1Sb1Pt1
3
216
78.28
mp-672709
-4.884596
-1.250768
-5.6689
other
Fe4Cu8S8
20
216
315.23
mp-1207813
-8.197356
-6.598742
6.497449
other
Y16Cd4Pt4
24
216
645.12
mp-1208955
-7.931224
-6.75001
6.822516
other
Sm16Cd4Pd4
24
216
678.59
mp-631523
-5.817713
-0.843083
3.742454
other
Tc1Ni1W1
3
216
49.68
mp-977381
-9.026369
-1.515438
2.760619
other
Gd1Mg1Ni4
6
216
84.4
mp-1226560
-9.188027
-1.56543
2.957217
original
Ce1Y1Ni4
6
216
92.58
mp-1224500
-8.572845
-0.428708
2.342483
other
In1Ni22B6
29
216
286.45
mp-961645
-5.809066
-5.748782
4.493326
other
Li1Al1Ge1
3
216
50.87
mp-1215217
-6.477592
-1.206768
4.271153
other
Zr1Nb1Cr4
6
216
86.4
mp-1208012
-8.631023
-6.414985
6.667993
other
Tm16Cd4Ir4
24
216
597.33
mp-1227048
-6.772621
-4.832766
5.930016
other
Ca1La1Al4
6
216
132.25
mp-8688
-4.802437
0.26741
-4.665151
other
V4Ge1S8
13
216
227.62
mp-30403
-6.771976
-6.979568
2.702603
other
Li2Pb1Au1
4
216
73.54
mp-570015
-8.489881
-6.441154
6.492912
other
Ho16In4Rh4
24
216
629.22
mp-1024994
-9.576457
-4.699953
3.773414
other
Ho1Cu4Au1
6
216
86.95
mp-1209709
-8.132687
-6.752517
6.909929
other
Pr16Cd4Ir4
24
216
708.28
mp-1224085
-6.31098
-1.817418
4.179819
other
Hf1Zr1V4
6
216
98.68
mp-1008876
-5.567784
-1.50615
-4.232927
other
Mn1Co1S1
3
216
40.25
mp-30377
-8.577174
-6.645227
3.096397
other
Er1Pb1Au1
3
216
76.65
mp-36526
8.585922
1.77164
2.299298
other
Ac1O1F1
3
216
52.59
mp-961659
-5.832401
-4.094995
4.700509
other
Ti1Si1Pd1
3
216
50.89
mp-568983
-6.894365
-3.028586
0.944401
other
Mn1Sb1Rh1
3
216
54.8
mp-1208060
-8.019828
-6.609591
6.886524
other
Tm16Mg4Co4
24
216
589.51
mp-1206712
-6.52386
-4.742244
1.07749
other
Er1Ni1Bi1
3
216
65.37
mp-961689
-6.05854
-3.132332
2.220722
other
Zr1Co1As1
3
216
59.48
mp-961693
-8.412427
-5.816201
3.235866
other
Zr1In1Au1
3
216
67.75
mp-1208037
-8.416753
-6.491458
6.521564
other
Tm16Cd4Pt4
24
216
604.76
mp-1227295
-5.059989
-1.096376
4.434441
other
Be4Ni1Ge1
6
216
57.64
mp-1018161
-6.40169
-2.771052
0.768084
other
Cr1Ni1Sb1
3
216
51.4
mp-1209983
-8.177714
-6.675418
6.796263
other
Nd16Cd4Ir4
24
216
691.11
mp-35033
9.279498
13.29222
-0.915858
other
Zn1Fe5O8
14
216
150.43
mp-924129
-7.144282
-3.629195
3.245595
original
Zr1Ni1Sn1
3
216
57.17
mp-1220015
-7.075704
-4.702294
6.470623
other
Pr1Gd1Al4
6
216
126.81