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-1181907
6.25488
5.908515
-3.82688
other
Co2Br4O12
18
11
493.37
mp-14448
-5.748816
-3.742959
-1.532805
other
Ba4Si2Te8
14
11
539.94
mp-27952
4.632864
3.001083
-4.040883
other
S6N6Cl6
18
11
450.11
mp-1209174
1.029778
2.032048
-5.632234
other
Rb4Sr4Cl12
20
11
697.65
mp-21218
-7.905729
-4.148008
3.31758
other
La2Ge4Pt4
10
11
194.99
mp-1245421
1.776513
1.665944
1.396289
other
Ca6Y2N6
14
11
248.64
mp-1046310
8.524661
11.142035
0.508646
other
Ca4Co4O8
16
11
224.18
mp-1208175
-1.182671
2.789107
-2.997208
other
Tl4Co2I8
14
11
565.14
mp-23940
10.86151
4.456364
-3.717421
other
Na2H2O2
6
11
61.36
mp-1199144
-2.621202
-2.820424
-5.508124
other
Pr8Er8S24
40
11
924.83
mp-568224
-4.283991
-4.099852
-3.786032
other
Sm12Cu4Se24
40
11
970.88
mp-1209531
-1.23011
3.058111
-2.809413
other
Rb4Cd2I8
14
11
666.09
mp-752614
13.095452
0.599341
1.626346
other
Fe8O6F10
24
11
290.55
mp-1188950
-3.036061
-2.392424
-5.340962
other
Yb6Pr2S12
20
11
512.24
mp-1207832
7.456546
8.425673
-1.419161
other
Y6Ge2O16
24
11
332.29
mp-24428
8.121474
1.262145
-3.835304
other
K2H4N2
8
11
104.73
mp-1105535
-3.371679
-3.980702
0.494555
other
Ba4P14Br2
20
11
529.01
mp-770998
10.83365
11.505228
3.181669
other
Gd2Ta6O18
26
11
327.46
mp-756598
10.871656
11.550339
3.206716
other
Er2Ta6O18
26
11
318.23
mp-1357103
8.970469
1.53752
-0.828503
other
Al2Ni6F30
38
11
535.35
mp-973441
-2.629908
-2.768487
-5.496905
other
La2Er6S12
20
11
469.06
mp-29154
-5.795402
-2.157812
3.10051
other
Hf4Co2P2
8
11
127.53
mp-1095589
2.735218
3.679895
-4.13512
other
U2Cl4O6
12
11
387.63
mp-1211977
-1.161267
2.82996
-2.806608
other
K4Co2I8
14
11
583.56
mp-1203950
7.412868
6.823092
-3.658957
other
Mo6N4O22
32
11
971.55
mp-31263
-3.947338
-1.376473
-5.844969
other
In10S10Cl2
22
11
537.28
mp-1041196
14.219672
7.095341
-6.177612
other
Ti6P6O26
38
11
507.2
mp-1103121
6.911619
6.376043
-3.847313
other
K2Li4O6
12
11
161.35
mp-1102830
-3.686985
-1.570857
-5.50498
other
Zr2Tl4S6
12
11
312.78
mp-1047904
10.617043
8.441113
-6.987175
other
Cr6P6O26
38
11
483.28
mp-997054
9.453728
8.758378
-0.314839
other
Cu2Bi2O4
8
11
128.41
mp-20178
13.819191
6.45424
-1.253961
other
Ce2B2O6
10
11
124.85
mp-29092
-4.232428
-5.245972
2.161616
other
Ba6Ge4N4
14
11
370.09
mp-570801
-7.920592
-4.026512
3.517406
other
Y6Ge12Pt8
26
11
494.39
mp-602328
-8.069776
-4.374484
3.662296
original
Ce4In8Pt8
20
11
423.6
mp-1279116
10.689619
11.882828
0.218332
other
Y2Fe4O8
14
11
183.79
mp-29153
-5.436953
-2.741686
2.617535
other
Zr4Ni2P2
8
11
133.5
mp-1104611
-0.795302
1.039684
-1.622856
other
Gd6C2I6
14
11
413.12
mp-27517
-1.199398
3.026001
-2.88759
other
Rb4Co2I8
14
11
619.02
mp-9697
-4.736609
-6.172246
0.662815
other
Cs12Ga2Sb6
20
11
909.07
mp-997042
7.359358
10.498459
-0.649967
other
Tl2Cu2O4
8
11
160.58
mp-2506699
8.581666
3.632798
-6.908357
other
Ba2C2O6
10
11
158.49
mp-696804
-3.386365
-1.416348
-5.711998
other
Rb2H2S2
6
11
159.44
mp-770405
-0.224208
0.735446
-3.674539
other
Ba2La2Br10
14
11
526.02
mp-1207071
-5.181156
-2.568923
5.906285
other
Sm2Fe2Si4
8
11
133.53
mp-1188223
6.325149
6.060522
-4.42523
other
Cu4N2O12
18
11
236.92
mp-779454
12.306749
12.751699
2.383492
other
Ti34N12O48
94
11
1,114.5
mp-504801
12.207745
5.908335
-0.598901
other
Er2H2O4
8
11
84.49
mp-616255
-3.889538
-1.395831
-5.801963
other
In4Sn6S14
24
11
556.73
mp-569613
-3.40704
-4.030069
0.524422
other
Ba4P14Cl2
20
11
526.44
mp-1188829
-3.50634
-3.791795
0.298684
other
K4Te4P8
16
11
468.85
mp-998299
-0.583471
1.407239
-4.5403
other
Rb2Se2Br6
10
11
354.43
mp-626421
8.404149
7.347448
-3.640543
other
Yb2H6O6
14
11
121.29
mp-23680
7.731068
3.156961
-4.513356
other
H4C8O8
20
11
221.76
mp-28653
10.807397
11.452092
3.227235
other
Nd2Ta6O18
26
11
335.3
mp-1188862
-2.643556
-2.727854
-5.524166
other
La2Ho6S12
20
11
473.91
mp-1238416
7.447646
6.663499
-3.918069
other
Mo6N4O22
32
11
706.62
mp-11902
-4.454494
-3.183974
-3.67313
other
Ba4Ge2Se8
14
11
445.12
mp-1025545
7.43133
8.705098
-1.619063
other
Eu2Br2O4
8
11
150.65
mp-1207170
7.818216
5.719754
-3.467317
other
La2Cl2O4
8
11
146.27
mp-989645
0.933277
2.588227
1.848101
other
Y2W2N6
10
11
156.86
mp-559848
12.530334
7.544477
-0.91469
other
Li56Si14O56
126
11
1,186.6
mp-752548
12.6509
13.567997
-0.972911
other
Li2V4O8
14
11
164.31
mp-1080587
3.056394
3.088989
-4.197156
other
Cd2N2Cl6
10
11
320.94
mp-1105435
-6.362607
-0.918164
2.110106
other
Ca2Fe10As6
18
11
257.68
mp-1091390
-7.800711
-4.071305
3.064804
other
Ca2Ge4Pt4
10
11
192.44
mp-768503
13.369598
5.89585
-6.843345
other
Lu4P12O36
52
11
739.55
mp-1190909
9.072089
11.167731
-4.182471
other
V6N2O16
24
11
354.38
mp-27317
8.307383
2.127534
-0.861497
other
Sb2As2F16
20
11
303.51
mp-1445115
9.637796
10.510241
-2.970713
other
Re2Sb2O12
16
11
206.55
mp-752515
10.887531
11.512703
3.199445
other
Y2Ta6O18
26
11
322.64
mp-777447
9.949081
0.740637
0.158676
other
Li2Fe4F14
20
11
290.56
mp-1191917
7.522035
8.57361
-1.262156
other
Gd6Ge2O16
24
11
339.34
mp-1272351
8.555361
10.632562
-2.737552
other
Ba6Cr4O16
26
11
427.87
mp-1215841
12.652358
13.111241
-1.085877
other
Yb2V8O16
26
11
294.72
mp-554900
8.47042
13.6107
0.207799
other
K12Mn12O24
48
11
709.79
mp-1200571
-2.599502
-2.754369
-5.441133
other
La8Er8S24
40
11
939.23
mp-29388
-4.556722
-2.918858
-3.626536
other
K8Ge8Se20
36
11
1,191.92
mp-765339
8.565049
1.117506
-0.401439
other
Li4Ag4F16
24
11
328.66
mp-1041240
13.198131
7.245931
-5.893289
other
Sb6P6O26
38
11
598.93
mp-1104926
-3.140436
-1.722902
-5.733079
other
Sr4Si2S8
14
11
345.41
mp-780293
11.691372
7.329079
0.158149
other
Dy4Ge4O14
22
11
315.06
mp-504831
8.231638
10.429132
1.757641
other
La6Re2O16
24
11
344.29
mp-768633
1.046144
1.692351
-5.242854
other
Sr4La2Cl14
20
11
667.75
mp-642649
7.983361
7.439519
-3.600215
other
Ba2H4O6
12
11
165.05
mp-1204904
7.924536
10.41659
1.766773
other
Nd12Ru4O28
44
11
626.93
mp-28746
-0.954423
1.028909
-1.597432
other
Pr6Ru2I6
14
11
511.82
mp-1105904
4.719022
3.239854
-3.622093
other
C2N12Cl2
16
11
282.56
mp-625718
11.322575
4.144955
-3.397245
other
Y2H6O6
14
11
126
mp-18996
10.028419
12.376856
-4.011949
other
Tl2V6O16
24
11
325.6
mp-625406
11.135911
4.277601
-3.300248
other
La2H6O6
14
11
147.33
mp-1409697
8.530953
11.510536
0.123597
other
Mg4Cu4O8
16
11
163.34
mp-505747
-4.018262
-1.491883
-5.757421
other
Tl2In10S12
24
11
617.46
mp-1047553
8.250123
1.961623
-0.415028
other
Y2Sb6F30
38
11
679.66
mp-34195
8.570698
3.625315
-6.913271
other
Ba2C2O6
10
11
151.33
mp-1194512
9.431029
11.547507
-3.916678
other
V4Cu6O18
28
11
387.79
mp-1188689
-2.722328
-2.739007
-5.550007
other
Nd2Y6S12
20
11
475.17
mp-1190422
-3.028524
-2.392831
-5.312464
other
La2Yb6S12
20
11
519.85
mp-3245
-3.344229
-3.66877
0.448161
other
Sn2P14Au6
22
11
426.39
mp-555119
8.67319
1.55221
0.75697
other
Sr2Ta2F14
18
11
234.73