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-774322
12.236004
-0.924642
0.888002
other
Mn12O7F17
36
1
440.72
mp-778809
5.422122
12.255098
-2.463943
other
Fe10O14F6
30
1
331.82
mp-935620
10.108869
8.232203
-6.893562
other
Mn4P8O28
40
1
541.05
mp-1326744
-5.919069
-3.399455
-2.443321
other
Tl4Ag32Te22
58
1
1,584.74
mp-1215849
1.277133
2.148432
-5.373304
other
Yb10Er2Cl26
38
1
911.38
mp-753002
10.513027
0.954795
-1.350815
other
Co6O4F8
18
1
202.04
mp-626504
11.652585
4.16187
-3.832499
other
Al2H6O6
14
1
110.3
mp-532110
11.296084
12.882918
0.098083
other
Ti10Fe14O36
60
1
652.06
mp-1245235
10.913452
12.811251
-0.888545
other
Cr28Fe4O48
80
1
1,056.18
mp-764715
11.292171
2.956233
1.195949
other
V4O2F10
16
1
195.22
mp-1047699
12.995283
10.611783
-0.065685
other
Zn6Mo12O24
42
1
542.88
mp-757480
11.342915
10.975835
2.129862
other
Ti5Pb5O14
24
1
344.58
mp-1048132
8.682756
11.281242
0.363638
other
Ca4Co4O8
16
1
215.84
mp-1181246
5.915119
5.184711
-4.323266
other
Ir1N9O12
22
1
419.94
mp-34036
10.219586
9.500382
0.287763
other
Nb1Bi3O7
11
1
166.31
mp-625208
10.120384
3.861324
-4.069323
other
H16Pt2O12
30
1
231.27
mp-1176426
12.875151
-0.849253
0.38195
other
Mn8O8F8
24
1
273.9
mp-800300
7.544053
4.758285
-1.535392
other
V4O7F5
16
1
209.15
mp-757229
11.832189
12.019234
2.064726
other
Na5Ti16O32
53
1
652.41
mp-673319
7.984768
6.373074
-2.969834
other
U1H2O4
7
1
91.25
mp-531245
9.566801
12.614063
-0.993308
other
Co20Sn10O40
70
1
842.55
mp-766107
11.684963
13.19426
-2.916523
other
Na2V12O26
40
1
481.41
mp-1180763
2.839251
3.195802
-4.354239
other
Nb6Cl12O16
34
1
1,250.03
mp-866691
-4.847477
-3.19754
2.099107
other
La16P8C8
32
1
718.48
mp-1287612
9.598722
14.266915
-0.491139
other
Mn10Sn2O16
28
1
346.41
mp-1096767
-7.129978
0.571527
3.500377
other
Fe11Mo1C4
16
1
156.47
mp-1642031
12.828687
11.71605
-1.050269
other
V4W4O16
24
1
271.13
mp-1282759
10.273708
12.88767
-0.360683
other
Li2Fe4O6
12
1
120.77
mp-1220948
8.522989
1.23271
1.888728
other
Na3Pr3F12
18
1
239.94
mp-1224212
-4.017339
-1.342593
-5.858387
other
In5Ga5S15
25
1
609.21
mp-787745
7.559876
4.914123
-1.703941
other
Zr16N16O8
40
1
538.28
mp-675310
-5.313656
-1.548658
-3.444339
other
Na3V5Se10
18
1
409.72
mp-776335
1.876632
1.760072
2.830339
other
Zr16N16O8
40
1
522.55
mp-33652
13.000596
10.629475
-0.350219
other
Pr2Mo15O28
45
1
633.22
mp-1228160
13.064288
5.886589
-6.072308
other
Ba3P4O13
20
1
306.8
mp-757840
7.817694
10.258143
0.599752
other
Ba12Pt9O27
48
1
775.5
mp-755719
13.709582
12.255934
-3.406813
other
V4O5F7
16
1
195.67
mp-581775
-5.889581
-6.94613
2.202566
other
Cs10K6Pb36
52
1
2,346.2
mp-1294540
5.726729
13.505281
-1.611503
other
Na8Co4O12
24
1
264.45
mp-675045
-3.957494
-4.315593
1.240167
other
Li14V2P8
24
1
317.42
mp-1181751
8.433524
1.393273
-4.194685
other
H24N8Cl8
40
1
690.32
mp-1332850
12.72824
10.133385
0.341328
other
Ca6W12O24
42
1
608.08
mp-760038
12.285898
-0.88815
0.830334
other
Mn12O7F17
36
1
436.99
mp-764606
10.910409
2.817229
1.482064
other
V8O2F22
32
1
395.93
mp-1006593
-4.462229
-2.326907
-3.431017
other
K24Hf16Se88
128
1
4,645.02
mp-849484
13.373355
0.431768
1.195814
other
Fe10O9F11
30
1
348.76
mp-676855
11.153814
4.078655
-4.202413
other
In4H12O12
28
1
263.76
mp-770857
9.637521
10.594544
-1.805079
other
V4Sb16O48
68
1
854.69
mp-801665
10.064363
2.57333
-0.175128
other
V3O1F11
15
1
231.91
mp-674322
7.60114
6.620831
-3.204504
other
Co4I8O24
36
1
564.32
mp-2215029
12.095973
12.64473
-4.168109
other
V4O6F6
16
1
216.77
mp-772965
10.46485
12.84629
-3.833107
other
V24Cu4O58
86
1
1,071.74
mp-758599
11.044739
10.805297
-0.743329
other
Sr5Re12O36
53
1
808.16
mp-1377486
8.367883
1.329244
1.114847
other
Nd1Pb7F17
25
1
429.78
mp-758757
8.450904
15.591075
-0.591514
other
Li12Mn18O36
66
1
680.23
mp-849518
12.271311
-0.858932
0.936115
other
Mn12O7F17
36
1
441.52
mp-849549
11.81227
-0.53668
1.169783
other
Mn12O5F19
36
1
455.99
mp-676325
9.875851
8.874591
-0.356305
other
Nb1Bi7O13
21
1
352.68
mp-34584
11.219482
9.566782
4.228821
other
Zr16N8O20
44
1
543.16
mp-763176
9.818364
14.962853
-1.353074
other
Mn6O8F4
18
1
199.46
mp-780793
12.726125
0.4559
0.242892
other
Fe10O11F9
30
1
343.27
mp-1220668
-4.381552
-3.899647
-3.72645
other
Nd12Si5Se28
45
1
1,181.96
mp-694974
8.48284
14.928756
-1.058604
other
Li7Mn16O32
55
1
592.82
mp-756745
-1.201664
1.821146
-1.607048
other
Ba2La2I10
14
1
579.36
mp-532510
12.436794
7.770101
-0.453235
other
Al28Ni14O56
98
1
937.44
mp-753210
13.138111
0.583728
1.687808
other
Fe8O6F10
24
1
287.81
mp-766377
7.859807
13.24617
-1.105924
other
Zn9Fe15O32
56
1
620.36
mp-665035
7.566227
2.770928
-2.142498
other
C2Cl4F4
10
1
226.01
mp-2232528
9.969456
9.930277
-1.212431
other
Mg1Sb4O10
15
1
216.19
mp-754775
10.300982
1.325124
-1.741027
other
Co6O5F7
18
1
196.92
mp-1272244
5.384354
10.781078
-2.114065
other
Li3Fe2O6
11
1
106.02
mp-675194
-5.334136
-2.117904
-2.343366
other
Te21Mo6I22
49
1
2,434.5
mp-675571
10.39403
9.509116
3.617224
other
Gd6Zr6O21
33
1
591.01
mp-754948
9.425869
0.761103
-0.542235
other
Cu6O1F11
18
1
199.13
mp-676668
12.178167
7.25261
-4.585301
other
Bi16P12O54
82
1
1,396.22
mp-769450
8.404579
14.861113
-0.992384
other
Li9Mn15O32
56
1
587.81
mp-850981
10.693028
2.367285
-0.218079
other
V6O5F19
30
1
382.88
mp-1228578
12.483963
10.77091
2.312308
other
Ba2Ta15O32
49
1
642.24
mp-690161
8.469388
14.941383
-1.019848
other
Li9Mn20O40
69
1
743.48
mp-2218892
12.708177
13.166511
-1.193418
other
Mg1V4O8
13
1
179.07
mp-673411
11.271553
5.051666
-4.171357
other
Ga4H4O8
16
1
134.33
mp-759532
12.71345
-0.075696
-0.059748
other
Mn12O14F10
36
1
394.75
mp-851096
8.307401
10.968137
-3.460637
other
Li9Cr19O48
76
1
889.99
mp-1247631
7.611069
12.274055
1.564471
other
Ca8Mn8O20
36
1
472.54
mp-774388
12.193984
3.138569
1.014588
other
V8O6F18
32
1
396.41
mp-532329
-5.506643
-0.806142
-4.206579
other
Fe12Cu8S40
60
1
860.49
mp-1399593
8.442069
1.639787
0.849657
other
Ca2Sb2F10
14
1
256.62
mp-849383
12.241035
-0.908871
0.895861
other
Mn12O7F17
36
1
442.13
mp-530435
11.654537
12.729273
0.395737
other
Ti11Fe13O36
60
1
654.78
mp-757636
10.959149
11.48635
2.776041
other
Nb8Tl8O24
40
1
622.41
mp-652025
12.769697
6.395799
-1.050131
other
Na8Si7O18
33
1
567.21
mp-756902
10.423964
1.22365
-0.352931
other
Cr4O3F9
16
1
196.42
mp-2215114
8.448956
14.746032
-1.380974
other
Mn4Zn1O8
13
1
153.39
mp-759999
12.742983
-0.044491
-0.05502
other
Mn12O14F10
36
1
397.53
mp-676282
-5.695484
1.298619
-4.64055
other
Mg2Mo12S16
30
1
559.33
mp-532267
-3.641741
-1.519098
-5.73119
other
Sr8Ga16S31
55
1
1,347.47
mp-756345
9.662354
12.499831
-4.011596
other
V4Ni2O12
18
1
202.71
mp-780556
10.750102
0.716124
-0.965535
other
Co10O5F15
30
1
348.63
mp-760138
12.830012
-1.147686
0.716059
other
Mn12O10F14
36
1
417.98
mp-776933
10.223207
1.84427
2.169402
other
Li4Fe8F20
32
1
457.63