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-766239
12.346194
13.540541
-0.798353
other
Li7V5O12
24
2
222.59
mp-771214
9.968607
4.453302
-6.88331
other
Rb8S8O28
44
2
787.98
mp-27664
2.219074
2.5322
-4.428551
other
Ti2P2Cl18
22
2
582.65
mp-770895
7.784715
10.091198
-3.955372
other
Li8Cr8O28
44
2
573.63
mp-1182403
12.276192
10.517655
-1.484278
other
Ca2Mo2O8
12
2
168.42
mp-879635
7.81175
5.398328
-2.064992
other
K1Ti16O32
49
2
630.59
mp-1100553
7.143866
19.43865
-0.143715
other
Li9Mn7O16
32
2
298.5
mp-935592
7.533285
5.027219
-1.857866
other
Cr4P6O24
34
2
435.02
mp-540314
11.995399
7.739861
-7.45226
other
Fe4P12O36
52
2
663.73
mp-795772
7.663991
5.163696
-1.725664
other
Rb10Co4O8
22
2
528.12
mp-752692
9.850276
8.695359
0.396774
other
K8Sn4O8
20
2
435.8
mp-1415265
7.838426
5.764383
-1.743656
other
Li8Mo2O10
20
2
185.14
mp-675711
-5.701717
1.3582
-4.685394
other
Li2Mo12S16
30
2
557.09
mp-686139
-3.611021
-1.505237
-5.425602
other
Na38Zr22S60
120
2
2,547.18
mp-559828
11.583574
11.066006
-3.759042
other
Ce4Mo8O30
42
2
668.36
mp-818255
9.090369
11.218981
-4.10688
other
V4Ni2O14
20
2
297.74
mp-755698
13.958176
5.513622
-7.592403
other
Hf2P4O14
20
2
287.72
mp-1209769
9.227702
6.550224
-5.750102
other
Rb6P6O24
36
2
644.26
mp-1173614
7.707625
11.884596
2.116121
other
Nd20Mn19O60
99
2
1,232.01
mp-752751
7.522526
13.677144
-1.655622
other
Mn8Fe4O24
36
2
431.71
mp-1178781
8.116655
7.094063
-4.920922
other
Zn4P6O32
42
2
855.17
mp-1246957
1.349229
1.85955
1.449599
other
Ca8Rh2N8
18
2
276.73
mp-1174308
7.072492
19.547953
-0.171754
other
Li8Mn6O14
28
2
260.25
mp-1246335
0.663908
2.6563
1.748994
other
Zr2Ni8N8
18
2
194.27
mp-22030
10.875038
6.334531
-2.868042
other
Eu4B4O12
20
2
239.34
mp-754448
10.501845
0.945811
-1.307998
other
Co6O4F8
18
2
203.11
mp-9655
9.52303
8.792702
0.087386
other
Na8Sn2O8
18
2
265.75
mp-557229
10.452712
10.674113
-3.837643
other
Li6Mo12O39
57
2
800.5
mp-1247498
0.469678
2.457121
1.841291
other
Mo4Ru4N12
20
2
301.91
mp-1213664
-3.434191
-0.491429
-4.523689
other
Hg1Mo6S12
19
2
5,014.83
mp-531264
7.778606
13.391421
-1.220478
other
Mg3Fe22O36
61
2
599.35
mp-772882
11.737171
7.375726
0.229669
other
Dy8Ge8O28
44
2
577.17
mp-772119
8.994989
13.307419
-2.80419
other
Mn6V4O20
30
2
385.54
mp-1446179
11.776595
11.573201
0.18979
other
Mg4Fe4O8
16
2
196.08
mp-1192488
1.505772
2.297078
-4.756306
other
Al4Te4Cl14
22
2
1,206.23
mp-1246019
0.57862
2.123409
2.021386
other
Ca6V6N10
22
2
301.61
mp-774600
5.86602
12.990562
-1.500347
other
Li4Ni7O14
25
2
236.62
mp-504457
10.599228
12.262186
2.272228
other
Ba2Ti12O26
40
2
462.19
mp-1359598
10.883191
9.379261
-7.009761
other
V4P6O24
34
2
412.5
mp-675102
9.469957
8.747543
2.925549
other
Ce9Gd1O20
30
2
401.55
mp-726771
2.319574
2.626515
-3.809895
other
Cu3I4N4
11
2
299.34
mp-29697
11.111506
11.197602
-2.679442
other
Na5W14O44
63
2
895.23
mp-1237388
8.483732
1.335985
1.053437
other
Na3Sb1F6
10
2
174.55
mp-10560
9.056623
9.122845
2.179294
other
Sm3Au1O6
10
2
144.98
mp-1247442
2.607997
2.234788
1.438434
other
K6Si6N10
22
2
310.47
mp-1173475
-5.455558
-2.247339
-1.633844
other
Nb4Si2Te8
14
2
389.16
mp-554461
8.173179
11.142374
-0.250307
other
K2Os4O12
18
2
224.12
mp-1215120
8.289021
2.271163
-0.421986
other
Co1Sn3F6
10
2
3,136.66
mp-690584
11.698642
7.971097
-7.143108
other
Fe7P4O20
31
2
365.85
mp-570568
1.793898
2.895474
-4.578175
other
W2N1Cl8
11
2
292.35
mp-704227
11.475558
8.144759
-8.146179
other
Mn9P8O32
49
2
647.07
mp-1174305
4.221651
19.219027
-1.858853
other
Li7Co5O12
24
2
209.11
mp-645740
10.378486
4.462042
-6.778033
other
Sn4S4O16
24
2
400.19
mp-760267
5.90535
12.690221
-1.38443
other
Na5Ni9O18
32
2
341.4
mp-562107
11.317
12.701016
-3.478951
other
Mn8V8O28
44
2
591.96
mp-1192304
9.767529
10.953808
-2.972218
other
Na4W4O16
24
2
350.79
mp-1192037
12.600297
6.547335
-5.517213
other
La2P6O14
22
2
464.26
mp-1277107
11.914036
12.615697
0.668321
other
Ti4Fe4O12
20
2
219.17
mp-1199357
5.629365
3.325699
-4.676848
other
Os6C20O20
46
2
878.65
mp-2224992
10.882703
12.75443
-3.644789
other
Mg1V4O10
15
2
192.47
mp-1191627
9.900151
10.497534
-3.788275
other
K4Mo4O16
24
2
415.57
mp-1210587
-7.89466
-3.834551
4.466111
other
Lu4Al24Pt9
37
2
615.97
mp-1232067
-4.369695
-4.197053
-3.901179
other
Dy8Mg4Se16
28
2
883.06
mp-676128
2.415506
2.516081
-4.434048
other
Si6N2Cl18
26
2
909.71
mp-1276496
12.727257
13.275849
-0.960599
other
Na2V4O8
14
2
178.07
mp-27670
-3.848776
-1.548633
-5.500343
other
Rb8In4S10
22
2
709.92
mp-1273356
6.548409
12.973965
-1.899495
other
Co4Ag4O12
20
2
224.6
mp-1173350
6.850677
11.927399
1.559427
other
Sr13Mn8O30
51
2
718.88
mp-976627
-4.561491
-2.53656
-3.44159
other
Ge12Rh8Se12
32
2
614.94
mp-28883
12.86432
6.328865
-7.064334
other
Ge2P4O14
20
2
234.79
mp-1174348
6.999374
19.763577
-0.162695
other
Li8Mn6O14
28
2
260.31
mp-17761
11.754699
7.256321
-0.398274
other
Ca6Ge6O18
30
2
436.38
mp-795689
7.333138
4.862163
-1.742318
other
Pb2W2O8
12
2
179.12
mp-1222772
-5.732758
-2.480752
-1.532238
other
Li1Ti5Te10
16
2
444.91
mp-540779
7.842498
10.062268
-3.79775
other
Rb8Cr8O28
44
2
854.69
mp-540262
9.051511
7.927011
-5.631709
other
Co2P4O14
20
2
261.83
mp-1232285
-4.404958
-4.156535
-3.842016
other
Tb8Mg4Se16
28
2
889.08
mp-753807
8.096683
12.163456
-0.859878
other
Zn1Ni9O10
20
2
190.78
mp-1100335
-3.416726
-1.667894
-5.637126
other
Ca6Sn6S18
30
2
812.68
mp-622755
-3.679426
-1.570586
-5.713743
other
In10Pb6S21
37
2
868.23
mp-1100526
7.188725
19.427011
-0.129106
other
Li9Mn7O16
32
2
298.09
mp-1218691
6.305524
12.005097
0.601065
other
Sr8Mn10O30
48
2
572.59
mp-1238840
-5.182214
-0.253083
-5.604821
other
K4Cr8S16
28
2
689.71
mp-1276717
11.569815
12.082312
0.367738
other
Li8Cr4O8
20
2
200.97
mp-753413
13.368142
4.663874
-1.518704
other
Ba4B4O10
18
2
287.25
mp-1220622
-2.620593
0.620851
2.601895
other
Nd15B6C20
41
2
648.49
mp-1212313
8.260853
1.832274
-0.279831
other
Li3Pt1F6
10
2
497.33
mp-1386790
8.005475
3.859326
-1.387061
other
Li2Mn2F10
14
2
179.32
mp-758025
8.35974
11.590907
-0.785072
other
Ba6Rh28O56
90
2
1,114.64
mp-1305526
12.555795
13.312428
-1.190014
other
Li4V10O20
34
2
386.57
mp-613162
-4.623109
-2.809828
-3.730418
other
Cs2Sn2Se6
10
2
362.34
mp-1246660
0.406761
2.471383
1.900032
other
Rh4W4N12
20
2
288.23
mp-1100537
7.157842
19.590889
-0.115611
other
Li9Mn7O16
32
2
296.71
mp-1228683
6.98535
4.806597
-4.840003
other
Fe6C14O38
58
2
1,106.15
mp-1246879
0.859962
2.615809
1.802281
other
Sc4Mo4N12
20
2
311.77
mp-1245550
1.990007
2.284833
1.283538
other
Zr2Cd8N8
18
2
289.72
mp-763780
11.994363
7.716034
-7.392018
other
Fe2P6O18
26
2
353.9
mp-1188684
-0.21517
0.483676
-3.000823
other
Tb6Ru1Br10
17
2
545.54
mp-1174037
4.336166
18.568489
-1.868733
other
Li5Co3O8
16
2
132.06
mp-562435
8.804819
10.390269
-0.040686
other
Na20Co8O18
46
2
631.74