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-1401831
8.658042
0.997259
-0.250596
other
Mg2Ag2F10
14
15
209.9
mp-18347
-6.057978
-3.530154
-2.002844
other
K8Al8Te16
32
15
1,155.43
mp-755373
11.310615
7.761507
1.13305
other
Lu4Ge2O10
16
15
198.05
mp-1247486
2.501549
2.386463
1.717438
other
Si4Ge10N12
26
15
398.08
mp-1246717
0.961436
2.235529
1.721885
other
Ca6Mn4N8
18
15
234.19
mp-579125
13.354927
5.979988
-6.699072
other
Gd8P24O72
104
15
1,617.4
mp-570728
-0.980435
1.225684
-1.71313
other
Ce2Nd2I8
12
15
450.04
mp-1197344
7.506673
7.641762
-3.90188
other
P4Rh4O40
48
15
834.52
mp-569822
0.636717
3.575816
-5.361787
other
Bi4W24Cl60
88
15
2,347.05
mp-1078590
7.49956
4.341393
-5.938303
other
Na2C2O4
8
15
124.28
mp-1323719
13.12931
7.188247
-1.006067
other
Si4Sb2O12
18
15
240.23
mp-756897
10.359527
9.458333
-1.859796
other
Dy2Te6O16
24
15
332.79
mp-540258
13.200581
6.759865
-7.054429
other
Ti2P8O24
34
15
454.25
mp-1196563
13.846353
4.329093
-2.025836
other
Gd20B40O90
150
15
1,404.98
mp-1101345
-1.162622
2.027429
-1.892748
other
Sr2Ca2I8
12
15
480.97
mp-542860
10.193903
12.204817
-3.940783
other
V4Cu4O14
22
15
292.6
mp-756318
1.89218
2.419143
-5.021756
other
Al4Co2Cl16
22
15
598.94
mp-780585
12.198329
11.811486
0.289479
other
Ti4Fe8O16
28
15
304.84
mp-768972
1.129669
1.708459
-5.231378
other
Ba6Y4Cl24
34
15
1,116.56
mp-755481
6.547752
5.864973
-3.556636
other
Ca2Cl4O12
18
15
264.75
mp-775925
-3.566428
-1.236935
-5.428986
other
Li16Sb14S38
68
15
1,483.02
mp-1212855
8.505029
7.791184
-4.780076
other
Fe6P6O30
42
15
619.25
mp-505700
-4.784141
-3.029858
-3.91487
other
K8In8Se16
32
15
1,032.31
mp-770537
9.482713
14.673109
-0.054269
other
Li4Mn8O12
24
15
246.63
mp-1179727
2.001157
2.796237
-4.407519
other
Rh12S12Cl60
84
15
2,257.25
mp-1193594
-4.79109
-1.728542
1.115155
other
Mn4P24W2
30
15
432.08
mp-752672
9.729708
8.467944
3.203125
other
Na4Dy4O8
16
15
216.27
mp-557914
10.561337
10.554689
3.312398
other
Dy2Ta2O8
12
15
146.9
mp-555983
11.816067
7.167038
0.825378
other
Er8Si4O20
32
15
415.26
mp-542609
-3.554626
-1.225976
-5.354849
other
Ag12As12S24
48
15
1,051.91
mp-662815
-4.484136
-1.076599
-5.784207
other
Mn6Ga12S24
42
15
875.52
mp-17688
-6.01877
-3.528133
-2.032813
other
Cs8Ga8Te16
32
15
1,290.03
mp-559825
10.852295
10.879694
-3.827121
other
Zr2Mo4O16
22
15
301.94
mp-1847727
10.774263
9.369996
-0.651291
other
Sb20S12O20
52
15
1,192.76
mp-1029872
1.240697
2.018743
1.651376
other
Sr8Re4N12
24
15
386.1
mp-1246580
0.748013
2.224357
2.072961
other
Ca6Mo4N8
18
15
263.33
mp-705670
9.681388
11.954089
-3.966586
other
V4Cu4O14
22
15
266.68
mp-1047802
13.931551
8.988403
-2.949595
other
P8W8O32
48
15
704.67
mp-1195624
-3.138393
-1.586986
-5.370008
other
Ba12Sb8S28
48
15
1,457.68
mp-1245609
0.919138
2.175403
1.773958
other
Ca6Ru4N8
18
15
253.32
mp-27231
10.506963
9.383505
-1.761549
other
Li8Te4O12
24
15
323.24
mp-582797
10.440668
10.590351
0.457707
other
Gd8Mo4O24
36
15
475.86
mp-721861
7.878425
5.096162
-5.935267
other
Mn2C4O12
18
15
254.81
mp-557354
10.511493
9.411835
-1.908689
other
Tm4Te8O22
34
15
477.2
mp-11709
13.946482
4.246872
-2.019212
other
Sm2B6O12
20
15
197.88
mp-4733
10.339244
10.994179
3.195675
other
Th2Ti4O12
18
15
219.35
mp-648893
10.720122
12.19573
-3.316428
other
Na32V16O56
104
15
1,495.71
mp-541355
-3.550678
0.298916
-3.448921
other
Rb8Tc12Se24
44
15
1,135.1
mp-756293
9.895753
9.176794
3.457255
other
La4Hf2O10
16
15
257.3
mp-866787
-3.390085
-1.688449
-5.653049
other
Ca24Sn24S72
120
15
3,217.65
mp-773596
8.000368
9.714869
-0.232138
other
Na14Cu4O12
30
15
435.27
mp-25239
12.624232
7.935188
-1.85844
other
V4Si8O24
36
15
426.69
mp-777444
10.358866
1.720315
2.162649
other
Li6Fe4F14
24
15
278.6
mp-1200365
10.612093
10.735687
-3.82184
other
Cs4Mo10O32
46
15
789.47
mp-555786
11.702972
6.874826
-1.526149
other
Si8Pb16O32
56
15
948.95
mp-1245704
1.272221
1.991151
1.494193
other
Sr8Ir4N12
24
15
389.97
mp-772886
1.095659
1.764767
-5.239021
other
Ba2La4Cl16
22
15
859.54
mp-1105775
0.651706
1.033547
-3.410507
other
Sc8Os2Cl8
18
15
397.22
mp-1246216
1.110829
2.697291
1.6034
other
Fe4Pb6N8
18
15
309.29
mp-505798
-4.722615
-2.937791
-3.732612
other
Na32Ti8Se32
72
15
1,889.72
mp-1299455
5.474763
11.070413
-2.172761
other
Li6Fe6O16
28
15
287.95
mp-867824
8.522129
1.192523
-0.3985
other
Li2Ag6F16
24
15
325.63
mp-2679737
-2.86704
-1.44799
-5.369548
other
Tl4C2S6
12
15
369.66
mp-9882
-5.17893
-3.190939
6.128259
other
Y4Si10Rh6
20
15
325.5
mp-630336
6.454334
6.194905
-3.715385
other
Au2Cl10O36
48
15
814.17
mp-1197653
-4.075367
-3.627231
-2.821234
other
U12Cu4Se26
42
15
1,029.65
mp-568456
-8.043784
-3.558836
2.715864
other
Tb4Ge6Pt18
28
15
470.68
mp-766232
10.563566
12.463017
-3.784329
other
Mg4V12O32
48
15
627.67
mp-679989
0.772782
3.294705
-4.737814
other
Bi4Mo24Cl60
88
15
2,310.02
mp-753818
-4.786893
-0.961304
-5.302915
other
Li6Fe4S8
18
15
316.61
mp-9884
-5.045793
-2.4362
-3.594651
other
K2Fe2Se4
8
15
216.05
mp-1040936
9.341576
8.112145
-6.064397
other
Co8P8O32
48
15
620.59
mp-1236886
7.953374
0.92383
-4.133907
other
B12H20N12
44
15
466.93
mp-1392127
10.178356
0.67053
0.148737
other
Zn2Co2F8
12
15
131.44
mp-772919
13.819955
4.51244
-1.788079
other
Tm8B12O30
50
15
475.39
mp-756506
10.188138
12.13625
-3.960468
other
V4Ni2O12
18
15
233.57
mp-1443056
9.216482
1.804919
1.571294
other
Mg2Ti2F10
14
15
183.95
mp-1095283
9.192133
7.14096
-5.707046
other
P2Au2O8
12
15
168.95
mp-1106022
-8.024884
-3.041802
4.569498
original
Y4Ge10Rh6
20
15
364.06
mp-989627
1.109419
2.321581
1.566433
other
Sr4Tc4N12
20
15
332.21
mp-767776
14.071433
8.171327
-5.448615
other
P8W2O24
34
15
439.13
mp-755335
11.922018
12.36917
0.290823
other
Li4Cr8O12
24
15
239.49
mp-770655
8.659923
13.02758
-1.021143
other
Li6Fe10O18
34
15
412.17
mp-29521
9.302013
8.525702
-0.310583
other
Rb2Bi2O4
8
15
169.88
mp-769026
6.790276
9.958878
-1.206625
other
Li8Bi4O12
24
15
292.54
mp-16183
-4.341276
-2.464264
-3.645575
other
Tl4B4Se14
22
15
588.26
mp-760809
5.3918
10.718852
-2.077129
other
Li18Fe12O36
66
15
646.36
mp-26212
8.677444
7.880816
-5.075601
other
Ni4P8O28
40
15
527.44
mp-570046
1.250134
2.027568
1.467062
other
Sr18Mo6N24
48
15
905.41
mp-779511
9.302804
8.638398
2.373715
other
Ba8Mg4O12
24
15
442
mp-756100
10.140217
0.620933
0.383226
other
Li2Fe2F8
12
15
161.2
mp-755889
10.185013
2.680419
1.535913
other
Li2V4F14
20
15
255.8
mp-22248
12.972303
5.053229
-2.502721
other
Eu2B6O12
20
15
201.71
mp-672352
1.5383
2.506262
-4.65219
other
Al4I12Cl24
40
15
1,398.28
mp-761223
10.897019
-0.094445
0.12571
other
Mn6O2F16
24
15
307.64
mp-571490
0.774006
1.178526
-3.978445
other
Pr12C4Cl20
36
15
962.3
mp-1179355
6.306958
5.508814
-4.299034
other
Sr2N4O20
26
15
415.38
mp-38017
7.738716
10.750992
-0.419401
other
Na4Pt2O6
12
15
139.28
mp-1203700
10.502995
8.570049
-5.517148
other
Re12P12O72
96
15
1,339.19
mp-989634
1.103859
2.413631
1.585172
other
Ca4Tc4N12
20
15
317.79