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-4900
9.216626
8.6949
3.195577
other
Ba2Ce2O6
10
167
172.44
mp-1188939
6.665049
5.987956
-3.651966
other
Al2Cl6O12
20
167
318.96
mp-1246224
5.190268
2.141843
-2.920099
other
Ti4C6N12
22
167
267.19
mp-653954
-3.022026
0.531376
-4.038443
other
Cs12Re12S30
54
167
1,662.9
mp-29784
-6.011325
1.529502
-4.763684
other
K4Mo18S22
44
167
924.14
mp-19051
6.56999
11.373116
1.164272
other
La4Co4O12
20
167
222.25
mp-13554
9.929627
9.600306
-0.60492
other
Sn2Hg2O6
10
167
132.33
mp-1191926
-7.886733
-2.904666
4.379327
other
Eu2Ge14Rh6
22
167
375.01
mp-861228
-4.211997
-1.403001
-5.655049
other
Li6Cu2S4
12
167
196.11
mp-16626
-8.212353
-5.045391
4.325493
other
Sm2Al14Au6
22
167
396.02
mp-18814
8.805264
3.644974
-7.297228
other
Mn2C2O6
10
167
102.17
mp-18792
6.301696
11.758257
0.7238
other
Ca6Co4O12
22
167
245.7
mp-16622
-8.192156
-5.026233
4.352284
other
Nd2Al14Au6
22
167
399.69
mp-28370
2.073882
1.944871
1.900989
other
Ce30B16N50
96
167
1,204.13
mp-19168
7.977592
11.726137
2.231343
other
La2Mn2O6
10
167
124.66
mp-568768
4.323618
2.174966
-2.997252
other
Yb4C6N12
22
167
370.41
mp-16621
-8.180843
-5.066593
4.299743
other
Ho2Al14Au6
22
167
389.88
mp-1199234
-6.947871
1.463039
-4.134101
other
Tl4Mo30Se38
72
167
1,647.51
mp-15905
-5.98475
1.515033
-4.77562
other
Rb4Mo18S22
44
167
941.95
mp-768500
10.109941
4.602457
-6.903988
other
Sb4S6O24
34
167
569.83
mp-4710
12.296797
6.196643
-3.590352
other
Hg6B4O12
22
167
303.49
mp-989588
0.942022
2.346807
1.785717
other
La2Os2N6
10
167
123.04
mp-18946
14.460962
7.952024
-2.19845
other
V2B2O6
10
167
89.7
mp-1029677
4.837687
2.113011
-2.777139
other
In4C6N12
22
167
311.39
mp-1019734
2.105759
2.133083
1.485155
other
Eu6B6N12
24
167
289.13
mp-1193312
-0.388283
0.904804
-4.468911
other
Cs6Er4Br18
28
167
1,053.8
mp-2714011
12.01909
3.709437
-7.997484
other
Y12S18O72
102
167
1,777.16
mp-1246515
-5.349248
-4.090602
-1.882017
other
Ca12Te6N4
22
167
551.54
mp-685609
0.978713
2.663356
1.620564
other
Cs20Mo12N30
62
167
1,435.03
mp-16623
-8.175711
-5.065924
4.329872
other
Dy2Al14Au6
22
167
390.77
mp-1029975
4.902953
2.020168
-2.71252
other
Al4C6N12
22
167
240.73
mp-19299
14.205361
6.114389
-2.598719
other
Cr2B2O6
10
167
86.64
mp-754307
7.182156
8.36698
-0.259295
other
Ba2Nd2O6
10
167
187.37
mp-8180
6.270967
4.874163
-4.469043
other
Li2N2O6
10
167
92.8
mp-9028
2.558002
2.102877
1.492949
other
Pr6B6N12
24
167
302.4
mp-557481
7.68946
10.2112
1.263285
other
Sr8Rh2O12
22
167
324.41
mp-651741
-3.108164
0.262181
-3.509073
other
Cs12Re12Se30
54
167
1,856.75
mp-1245918
5.130768
2.188526
-3.107099
other
Fe4C6N12
22
167
222.14
mp-756014
9.123174
8.827085
2.812944
other
Ba8Hf2O12
22
167
417.59
mp-779587
14.615894
8.120156
-4.186666
other
Ti6P6O24
36
167
452.07
mp-777470
10.366848
1.690563
2.126061
other
Li6Fe6F18
30
167
349.06
mp-774537
10.682763
7.426054
-6.583799
other
Ti4P6O24
34
167
462.4
mp-1246822
5.477542
2.256605
-3.039235
other
W4C6N12
22
167
230.84
mp-1203207
6.473935
13.827672
-1.83013
other
Na16Co24O48
88
167
1,002.06
mp-1198018
-6.891912
1.411515
-4.111598
other
Cd4Mo30Se38
72
167
1,609.3
mp-1079935
3.457649
-0.683558
-2.395857
other
Li2Ca2H6
10
167
97.42
mp-568937
-0.364527
0.982001
-4.463196
other
Cs6Y4Br18
28
167
1,065.32
mp-11031
-8.105886
-4.989077
4.350597
other
Ce2Al14Au6
22
167
408.26
mp-1245995
5.054739
2.135494
-2.843092
other
Sb4C6N12
22
167
397.01
mp-7607
11.0218
11.909596
1.83731
other
Ti2Hg2O6
10
167
118.34
mp-1238763
1.64588
2.395428
0.058506
other
K6Yb2N12
20
167
480.21
mp-1029602
4.893778
2.081876
-2.711679
other
Sc4C6N12
22
167
304.98
mp-1078259
13.638077
4.907156
-2.415557
other
Ga2B2O6
10
167
85.93
mp-754936
10.817044
8.40342
2.322103
other
Dy2Al2O6
10
167
103.67
mp-9890
11.1637
11.779702
2.80052
other
Ta2Ag2O6
10
167
125.04
mp-15567
-3.822478
-1.58156
-5.387694
original
Na6Au2S4
12
167
274.62
mp-3474
7.018914
10.444357
1.271595
original
La2Cu2O6
10
167
114.5
mp-4385
8.762457
3.803091
-7.014692
other
Cd2C2O6
10
167
115.53
mp-558966
8.681296
11.178799
0.404098
other
Ca30Re12O72
114
167
1,486.78
mp-1197196
-6.908735
1.449111
-4.069674
other
Li4Mo30Se38
72
167
1,603.46
mp-979264
-4.038402
-0.806843
-2.60008
other
Te12Rh2Cl6
20
167
606.48
mp-1238804
-1.08919
2.999078
-3.107559
other
Cs8Pb2I12
22
167
1,163.75
mp-16620
-8.151221
-5.086051
4.29936
other
Lu2Al14Au6
22
167
386.54
mp-755417
13.090284
4.89869
-1.435992
other
Ba6B4O12
22
167
357.99
mp-774561
11.011556
6.833057
-6.661419
other
Zr4P6O24
34
167
527.07
mp-1205361
-5.486536
-2.250993
-2.19837
other
Te12Rh2I6
20
167
789.67
mp-572604
-3.129451
0.791545
-3.883851
other
Eu4Re12S22
38
167
760.22
mp-1120755
7.806128
5.504345
-5.915587
other
Na2C2O6
10
167
123.8
mp-29075
1.344461
2.30613
-5.234242
other
Ga6Bi10Cl24
40
167
1,237.25
mp-1192040
2.479097
2.112785
1.579832
other
Sm6B6N12
24
167
283.88
mp-989472
5.064474
2.149236
-3.027936
other
B4C6N12
22
167
473.09
mp-5348
8.626861
3.874002
-7.215049
other
Mg2C2O6
10
167
92.61
mp-554708
-5.916114
1.526166
-4.763684
other
Cs4Mo30S38
72
167
1,499.78
mp-1201941
-6.044973
1.499516
-4.76037
other
Rb12Mo54S62
128
167
2,844.88
mp-30005
-0.113559
1.858638
-4.565747
other
Rb12Br8O2
22
167
821.09
mp-29637
-0.429074
1.377235
-4.635034
other
K8Mn2Br12
22
167
721.33
mp-1245672
5.329647
2.203017
-3.012097
other
Mo4C6N12
22
167
233.55
mp-28993
8.460894
1.677683
-0.619817
other
La2Au6F24
32
167
528.89
mp-559525
7.532296
5.913764
-3.468245
other
K12Mo6O48
66
167
1,069.01
mp-19147
8.1953
4.533872
-6.576923
other
Ni2C2O6
10
167
88.95
mp-4100
7.990778
10.320168
1.165653
other
Ca8Ir2O12
22
167
288.73
mp-34291
8.717655
1.587259
1.06336
other
Zr6In2F30
38
167
472.41
mp-18969
8.992872
3.703552
-7.045687
other
Fe2C2O6
10
167
95.45
mp-10299
7.50053
10.41168
0.888399
other
Ca8Pd2O12
22
167
279.92
mp-17242
14.511432
6.762184
-5.935367
other
Nb4P6O24
34
167
495.04
mp-2713792
11.609097
4.287201
-8.094995
other
Ga12S18O72
102
167
1,353.85
mp-772938
10.861464
11.80959
2.979626
other
Li4Ta8O22
34
167
419.89
mp-754409
13.54495
4.608641
-1.272181
other
Ho2B2O6
10
167
119.96
mp-772548
6.961282
10.532475
1.101998
other
Sm2Cu2O6
10
167
113.18
mp-17668
-8.151247
-5.590266
3.430619
other
Yb2Ga14Au6
22
167
420.61
mp-672306
-5.341386
-6.987018
3.198775
other
Ba12In10N2
24
167
884.63
mp-16800
12.422158
3.863062
-8.231454
other
Sc4S6O24
34
167
504.12
mp-1203016
-4.724673
-5.201149
0.516084
other
Ba18Al18As30
66
167
1,971.8
mp-540706
10.836763
11.854027
2.826643
other
Na4Nb8O22
34
167
427.98
mp-29983
0.58931
2.469221
-5.384235
other
Cs12Cl8O2
22
167
861.37
mp-554648
9.398417
8.440172
-2.414148
other
Ag10I2O12
24
167
343.47
mp-866519
-3.374215
-1.615473
-5.737778
other
Ca2Sn2S6
10
167
235.57
mp-756214
10.8901
8.313765
2.345412
other
Y2Al2O6
10
167
104.07
mp-2713787
11.59873
4.148731
-7.98789
other
In12S18O72
102
167
1,587.27
mp-555890
7.859856
10.54854
1.69163
other
La28Ru12O72
112
167
1,609.78