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-1205092
3.867179
2.916567
-4.13395
other
S24N8
32
62
892.74
mp-2416
8.643724
1.28174
1.92602
other
Y4F12
16
62
190.76
mp-22536
-3.17017
-2.758571
-3.850179
other
U12S20
32
62
713.92
mp-20765
-4.903737
-4.370552
5.432238
other
Np4Si4
8
62
134.24
mp-1105669
-8.896397
-6.465683
4.956174
other
Nd4Zn12
16
62
308.36
mp-734030
5.925492
5.261385
-4.321484
other
N8O12
20
62
319.49
mp-1106290
-2.627213
-2.800239
-5.535556
other
Er8S12
20
62
416.93
mp-623038
-5.594
-2.463475
2.597371
other
Nb40As24
64
62
1,108.14
mp-20937
-5.336952
0.010957
3.094614
other
Cr12C8
20
62
172.77
mp-974
-2.60743
-2.819276
-5.546424
other
Tm8S12
20
62
412.24
mp-622565
-8.146315
-6.51906
6.890622
other
Ho12Co4
16
62
396.16
mp-1190274
-7.514489
-1.741224
2.717618
other
Co12Sn8
20
62
300.65
mp-1188656
-8.061319
-6.792882
7.209374
other
Nd12Os4
16
62
472.57
mp-1172826
-8.813377
-6.183459
2.486716
other
Zr4Au16
20
62
401.68
mp-21576
-5.815383
-4.610001
1.457888
other
Sc24Te12
36
62
858.16
mp-542601
-4.504081
-3.792106
-3.68327
other
Yb12Se16
28
62
762.77
mp-1079443
-6.103648
-2.845248
-1.810757
other
Mn4Te4
8
62
203.35
mp-540786
11.329178
10.887094
-3.499313
other
Mo16O44
60
62
981.55
mp-2833
-5.704008
-0.898235
-3.268846
other
Ir8S16
24
62
405.33
mp-1201296
-8.480207
-5.780095
6.223932
other
Nd20Rh16
36
62
860.55
mp-646392
-8.080286
-6.635452
6.985432
other
Dy12Co4
16
62
402.57
mp-17399
-4.788383
-6.134554
0.931424
other
Ba20Sb16
36
62
1,512.92
mp-644751
3.225751
2.571415
0.317097
other
B4N4
8
62
54.28
mp-1182238
7.100106
8.528786
-1.937143
other
Ba8O16
24
62
426.18
mp-680536
-7.868027
-4.443035
4.848656
other
Ce20Ir16
36
62
833.25
mp-560553
8.443532
2.045729
-0.737039
other
Ir4F24
28
62
389.75
mp-30884
-9.0713
-6.454574
4.911304
other
Y4Zn12
16
62
288.74
mp-1102093
-1.15669
2.064674
-1.96838
other
Eu4I8
12
62
509.23
mp-29848
8.096848
2.32582
-1.196401
other
I4F12
16
62
291.45
mp-1181926
3.401121
-0.721151
-2.354379
other
Ca4H8
12
62
135.69
mp-27606
-5.457552
-2.815416
2.002593
other
Zr4As8
12
62
230.51
mp-1198601
-7.098016
-5.997527
4.549673
other
Tb20Bi12
32
62
955.23
mp-755738
8.676079
8.650629
-0.172363
other
Rb8O4
12
62
286.85
mp-28029
-4.998424
-1.619023
1.441802
other
Tc4P12
16
62
245.86
mp-1080204
0.561555
2.68361
1.761675
other
Mn12N16
28
62
264.11
mp-1196980
-7.970325
-5.039715
5.813275
other
Dy12Ga20
32
62
666.57
mp-22079
-6.587747
-2.545694
1.013794
other
As4Rh4
8
62
125.15
mp-1025513
-6.150568
-3.374298
3.917125
other
Zr4Ge4
8
62
150.38
mp-2275
8.747078
1.976088
0.645769
other
U4F24
28
62
426.44
mp-1196421
5.16703
3.08702
-3.939913
other
S16N16
32
62
768.09
mp-1188131
-8.658989
-6.32047
6.676893
other
Er12Os4
16
62
410.93
mp-570356
-5.359394
-7.255548
3.751707
other
Ca20Ir4
24
62
819.38
mp-1118
-7.41389
-1.54654
2.715587
original
Si4Ni8
12
62
127.6
mp-11544
-6.312992
-6.978027
3.818764
other
Yb8Pb4
12
62
373.31
mp-30385
-8.731698
-6.489612
6.068106
other
Ho8Au4
12
62
306.17
mp-1937
-8.566698
-5.803112
4.093229
other
Yb4Cu4
8
62
173.61
mp-585949
-7.016848
-6.788718
3.834589
other
Ca20Cu20
40
62
944.78
mp-1198033
-7.31572
-6.642306
5.54442
other
Tb20Pb16
36
62
1,087.03
mp-1435
-8.980105
-6.040831
3.974467
other
Sr4Zn20
24
62
450.51
mp-1196458
-7.353115
-5.860915
3.560971
other
Eu20Pt16
36
62
940.86
mp-568745
-5.765872
-3.781069
-2.074433
other
Rb8Te4
12
62
515.8
mp-613523
-7.163451
0.739403
3.600705
other
Fe12C4
16
62
165.51
mp-1079231
-3.828168
-7.20445
1.92761
other
K4Co4
8
62
231.68
mp-1181747
9.334599
13.490396
-2.023276
other
Cr4O8
12
62
133.05
mp-21559
-5.152599
-3.082763
2.697898
other
Zr24Te12
36
62
830.13
mp-777479
12.189238
12.635721
-2.546779
other
V4O8
12
62
194.54
mp-1106170
-8.097951
-6.560134
6.559893
other
Gd12Pt4
16
62
458.36
mp-20541
-5.551441
-1.12117
2.258454
other
V8P4
12
62
150.9
mp-1207785
-8.417013
-6.371812
6.648088
other
Y12Ir4
16
62
435.41
mp-568446
-5.119349
-4.298085
6.072724
other
Er20Si16
36
62
802.02
mp-11250
-8.107173
-7.705611
3.3134
other
Mg8Au4
12
62
228.52
mp-1025489
-5.140311
-4.356912
6.318092
other
Sm4Si4
8
62
185.3
mp-1199467
-6.969254
-4.560515
5.670806
other
Lu20Ge16
36
62
778.67
mp-1232181
-4.288049
-4.187761
-3.579983
other
Pm8Se12
20
62
527.36
mp-1105598
-7.690628
-6.491485
6.805227
other
Y12Co4
16
62
422.77
mp-23713
3.416235
-0.695235
-2.394381
other
Ca4H8
12
62
142.6
mp-680570
-5.064121
-2.154436
2.493405
other
Ti20P12
32
62
469.86
mp-672706
-4.38248
-2.621465
-3.740705
other
Sb8Se12
20
62
735.24
mp-608146
-2.705617
-2.721727
-5.44019
other
Gd8S12
20
62
445.89
mp-562610
9.428446
9.936963
-0.507163
other
Sn4O8
12
62
138.51
mp-1207837
-8.710196
-6.501058
7.099826
other
Tm12Ru4
16
62
399.77
mp-1095223
7.905017
3.043872
-1.686392
other
O4F8
12
62
163.3
mp-1204550
1.421746
1.886979
2.452822
other
Ta12N20
32
62
323.63
mp-1105888
-3.135061
-2.223648
-5.098248
other
Yb8S12
20
62
475.67
mp-1080451
-8.948592
-5.846036
4.486692
other
Tb4Pd4
8
62
178.03
mp-818
-6.876303
-2.2794
4.462826
other
Si4Rh4
8
62
109.45
mp-19908
8.643487
0.91394
0.660607
other
Eu4F12
16
62
202.51
mp-19905
-7.196138
-0.849872
3.367257
other
Co8Si4
12
62
125.32
mp-30626
-9.134973
-6.427216
4.953062
other
Dy4Zn12
16
62
286.38
mp-1146
-2.934639
-2.569686
-4.783592
other
Th4S8
12
62
271.24
mp-1106122
-7.477273
-6.69995
7.032043
other
Pr12Ni4
16
62
469.15
mp-1080073
-6.211057
-2.539807
-1.61478
original
Mn4Te4
8
62
179.69
mp-1079574
-5.971463
-3.55455
-2.289188
other
Te4Pb4
8
62
297.67
mp-1190019
-9.184592
-6.300263
4.823498
other
Lu4Zn12
16
62
274.52
mp-1204965
-5.378394
-6.640694
3.591937
other
Ba28Ge24
52
62
1,860.83
mp-568971
-4.649904
-2.443171
-4.155947
other
Ag8Se4
12
62
276.16
mp-1210607
-7.321184
-6.191273
5.103999
other
Lu20Bi12
32
62
877.76
mp-570180
-8.227157
-4.524925
3.513527
other
Yb4Pt4
8
62
175.38
mp-28127
-2.760804
-0.770153
-5.247224
other
Na8S20
28
62
642.57
mp-1103633
-7.921003
-6.667465
6.57918
other
Sm8Au4
12
62
336.94
mp-505759
-5.356881
-3.4472
2.308672
other
Zr20Sb12
32
62
730.33
mp-1047285
5.2902
11.291836
-2.439998
other
Fe8O16
24
62
279.08
mp-1079694
-0.978342
2.971256
-3.385567
other
Cs4I4
8
62
480.4
mp-1189442
-8.472521
-6.326611
6.569803
other
Tm12Pt4
16
62
416.54
mp-1196803
5.728596
2.229413
-2.976129
other
C256Cl16
272
62
3,357
mp-504783
-3.053648
-2.551411
-3.768642
other
Np8S12
20
62
460.66
mp-1205002
1.397543
1.924927
2.438094
other
Ta12N20
32
62
313.52
mp-1182
-5.007413
-4.361156
6.140661
other
Dy4Si4
8
62
171.71
mp-1198083
-6.735712
-4.891641
5.709423
other
Gd20Ge16
36
62
905.73
mp-1190039
1.751559
2.567607
-3.479579
other
I12N4
16
62
866.29