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-1190638
-8.308584
-4.80619
3.483958
other
Dy8Ge8Pd8
24
59
452.16
mp-1372438
12.795721
10.703107
1.865925
other
Mg4Ti8O16
28
59
306.72
mp-849436
5.857372
11.977342
-1.673103
other
Na4Fe8O16
28
59
314.39
mp-583224
-6.09844
-0.526635
1.441625
other
Eu2Co16P10
28
59
338.09
mp-1246035
2.0394
2.229286
1.518128
other
Mg10Cu2N8
20
59
247.39
mp-754881
7.767202
17.894175
-0.076074
other
Li6Mn6O12
24
59
221.84
mp-1180685
6.916884
5.907538
-3.295719
other
La2I6O18
26
59
446.33
mp-1372314
12.933867
12.484863
-0.594685
other
V8Zn4O16
28
59
319.74
mp-732177
7.274557
8.395219
-1.93394
other
Y6Cl4O12
22
59
409.52
mp-669436
-6.33552
-3.22158
1.628835
other
Zr10As10Pd10
30
59
517.63
mp-1202782
-4.706943
-1.940381
-3.22143
other
Hg6Pd16Se18
40
59
810.42
mp-1246623
0.226839
2.710557
1.930189
other
Cd2Fe10N8
20
59
206.59
mp-754113
10.585206
8.108315
2.842385
other
Tm2Cl2O2
6
59
141.69
mp-1372476
-4.637634
0.102931
-4.9609
other
Mg2V4S10
16
59
337.36
mp-1198168
11.866103
5.977491
-3.31995
other
Fe10B12O36
58
59
746.03
mp-1049210
6.365164
12.324572
-1.948813
other
Zn2Co4O10
16
59
178.97
mp-1246592
0.173348
2.561115
2.036107
other
Mg2Fe10N8
20
59
199.3
mp-1041794
10.601649
9.316689
0.192936
other
Mg4Sn8O16
28
59
481.42
mp-1246956
0.575824
2.566819
1.745101
other
Co4Cu2N4
10
59
92.49
mp-1247554
0.388742
2.488292
1.888343
other
Mg2Co10N8
20
59
201.89
mp-754285
8.984382
12.537077
-0.05756
other
Li10Mn2O8
20
59
202.43
mp-662558
-6.354768
-4.457064
0.749784
other
Ce6Sb10Pd12
28
59
615.13
mp-1042158
12.788318
10.116984
0.369347
other
Ca4W8O16
28
59
417.05
mp-531071
12.670875
10.723237
2.17185
other
Na6Ta24O48
78
59
972.21
mp-601322
-5.294827
-6.385208
3.34277
other
Ba12Ge10N4
26
59
774.68
mp-1193824
7.369361
6.474038
-3.124758
other
La2I6O18
26
59
392.37
mp-754010
8.038355
10.923876
-0.444458
other
Zn2Cu4O6
12
59
131.36
mp-1246265
0.531792
2.680435
1.744968
other
Co2Ni10N8
20
59
204.7
mp-1245643
1.707235
1.863757
1.135561
other
Ca10Cd2N8
20
59
366.04
mp-1173548
-5.216796
-4.402284
0.36467
other
Pr6Zn4As12
22
59
506.24
mp-1204407
-5.946416
-0.566424
1.483518
other
Tm6Co18P12
36
59
455.43
mp-1348032
-4.976336
-0.712747
-4.8557
other
Zn2Fe4S10
16
59
292.19
mp-754255
8.544154
9.128588
-0.242427
other
Rb20Fe4O16
40
59
950.39
mp-755629
10.06871
2.570074
1.667535
other
Li2V2F8
12
59
138.41
mp-540828
8.382586
12.558352
-1.710757
other
Fe2Cl2O2
6
59
103.12
mp-1372620
11.434333
13.149526
-0.025072
other
Mg4Cr8O16
28
59
306.78
mp-7535
10.375198
11.788654
0.167121
other
Li10Al2O8
20
59
181.74
mp-1246052
1.669145
1.746523
1.250829
other
Sr2Ca10N8
20
59
401.4
mp-1245724
1.574303
1.685328
1.251014
other
Ba4Ca2N4
10
59
253.04
mp-754042
7.468382
13.710475
-1.733799
other
Cd4Co8O16
28
59
297.11
mp-1397062
7.879525
13.407935
-1.6442
other
Mn4Zn2O10
16
59
182.63
mp-570157
1.942326
1.943328
2.371476
other
Zr2Br2N2
6
59
134.53
mp-1189189
9.663545
10.902927
-0.054395
other
Li8I2O6
16
59
237.38
mp-1394225
6.68675
11.408484
-1.424915
other
Mg2Ni4O10
16
59
181.39
mp-540582
11.26443
12.935691
0.069981
other
Ca4Cr8O16
28
59
330.1
mp-1410425
6.811226
11.289923
-1.299589
other
Ca2Ni4O10
16
59
218.15
mp-17093
-5.677389
-3.997741
4.953984
other
Er8Si8Pd8
24
59
437.35
mp-1403610
10.574347
11.68542
2.631532
other
Ca2Ti4O10
16
59
205.68
mp-1246916
0.66407
2.64065
1.645851
other
Mg2Ni10N8
20
59
202.79
mp-1245431
0.573503
2.66174
1.697034
other
Mn2Ni10N8
20
59
208.25
mp-1374814
-5.00811
-0.813414
-4.675184
other
Zn2Ni4S10
16
59
304.52
mp-1192293
2.063266
2.462462
-3.650787
other
Pt4Br12N8
24
59
1,046.13
mp-510341
-4.505715
-6.117966
1.715067
other
Cs6Ge8Au2
16
59
589.09
mp-37919
-0.337901
0.752516
-2.680932
other
Y2C2Br2
6
59
123.58
mp-1238825
-5.358862
-0.142065
-5.762098
other
Na4Cr8S16
28
59
559.51
mp-1247468
1.866453
2.228739
1.639215
other
Mg10Co2N8
20
59
246.41
mp-28728
-4.624091
-5.595237
0.43135
other
K24Sn12As20
56
59
1,761.21
mp-1238839
-5.308441
-0.164462
-5.679595
other
K4Cr8S16
28
59
626.26
mp-732343
10.532693
8.172848
-4.607174
other
Cr4As12O38
54
59
781.05
mp-22946
11.718115
12.696018
-0.513124
other
Cr2Cl2O2
6
59
98.09
mp-1247535
1.722881
1.80632
1.20699
other
Ca10Zn2N8
20
59
347.34
mp-560054
-2.360371
-2.107199
-5.366056
other
Lu2S2Br2
6
59
187.07
mp-1247476
-0.069539
2.396616
2.079997
other
Mn2Fe10N8
20
59
180.42
mp-1247514
0.116427
2.397904
2.136005
other
Mn10Fe2N8
20
59
189.53
mp-1245912
1.557073
1.657494
1.365349
other
Ba2Sr4N4
10
59
238.42
mp-601326
-5.776263
-6.484437
3.304186
other
Sr12Ge10N4
26
59
660.88
mp-637052
-7.049365
-3.148533
4.975702
other
Hf6Mn4Ga12
22
59
360
mp-7466
7.56937
10.109981
-0.01655
other
Ca2Cu4O6
12
59
152.37
mp-30171
-8.113865
-2.721118
4.232301
other
Ho8Ge18Ir26
52
59
863.05
mp-1190672
-6.936713
-3.133584
4.866834
other
Hf6Cr4Ga12
22
59
359.02
mp-1195461
-5.029744
-6.07899
0.7104
other
Ba14Al8Sb18
40
59
1,456.02
mp-1247497
2.082701
2.214939
1.552312
other
Mg10Mn2N8
20
59
252.79
mp-1239181
-5.267693
-0.169043
-5.686714
other
Rb4Cr8S16
28
59
654.46
mp-1105626
11.283084
8.139778
2.809775
other
Nd8Sb4O8
20
59
443.43
mp-23002
12.83506
10.867167
2.163303
other
Ti2Br2O2
6
59
113.26
mp-766225
6.738824
14.008138
-1.822935
other
Na6Co8O16
30
59
296.11
mp-27703
10.310965
8.617728
-0.135303
other
In2Br2O2
6
59
132.48
mp-1245758
1.802419
2.295412
1.450653
other
Zn10Ni2N8
20
59
269.8
mp-1200073
-5.924028
-0.556374
1.466069
other
Lu6Co18P12
36
59
459.04
mp-1394047
9.049565
11.463264
-2.572901
other
Ca2Cr4O10
16
59
207.02
mp-1339741
12.97797
12.490954
-0.490621
other
Mg4V8O16
28
59
316.59
mp-28928
-2.358525
-2.226923
-5.599807
other
Dy2S2Br2
6
59
186.8
mp-1247266
0.006871
2.477549
2.006466
other
Fe10Ni2N8
20
59
186.37
mp-1041808
10.381649
9.317694
0.288395
other
Ca4Sn8O16
28
59
526.29
mp-1247509
0.422105
2.494558
1.849929
other
Co10Cu2N8
20
59
198.87
mp-27226
8.137116
11.197837
-0.339736
other
Mg2Cu4O6
12
59
124.19
mp-1101696
11.2518
10.526738
0.164866
other
Na20V4O16
40
59
601.3
mp-27616
-2.363545
-2.127484
-5.727274
other
Er2S2Cl2
6
59
163.86
mp-1247361
0.162354
2.538032
2.063812
other
Mn4Fe2N4
10
59
93.05
mp-1198411
11.235423
9.052378
0.910599
other
U22Pb6O72
100
59
1,659.81
mp-1018731
-2.187919
-1.498017
-4.220713
other
Ho2S2I2
6
59
218.69
mp-1238778
-5.36955
-0.09393
-5.726632
other
Li4Cr8S16
28
59
510.92
mp-753783
9.572057
11.617385
0.0942
other
Li10In2O8
20
59
222.25
mp-755832
9.305999
8.707022
0.428494
other
Na10Gd2O8
20
59
336.62
mp-1193187
-5.864961
-0.077619
3.368827
other
Ta10Co10B10
30
59
328.37
mp-1204360
-5.801106
-0.66367
1.443495
other
Pr6Co18P12
36
59
500.3
mp-1190467
-5.476418
-6.248572
0.823929
other
K12Zn2Bi10
24
59
988.75
mp-755689
10.643336
8.111894
2.850071
other
Er2Cl2O2
6
59
131.27
mp-1193437
7.412997
6.470837
-3.109685
other
Nd2I6O18
26
59
381.11
mp-1013900
-3.224695
0.142409
-4.313868
other
Ti2S2Cl2
6
59
123.71