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-36529
11.406605
11.270751
-2.463114
other
Na3W10O30
43
10
588.62
mp-542654
-3.860973
-1.404602
-5.706592
other
Rb3In9S15
27
10
677.33
mp-1215863
-4.197307
-4.365434
-3.754673
other
Yb1Er2Se4
7
10
195.71
mp-753338
9.989567
2.50411
1.526314
other
Li1V1F4
6
10
77.76
mp-763931
10.203129
1.618502
-2.094078
other
Co6O6F6
18
10
184.61
mp-1215857
-4.196817
-4.301334
-3.773546
other
Yb1Y2Se4
7
10
200.36
mp-2225402
8.773592
14.771718
-0.379051
other
Mg1Mn2O4
7
10
85.82
mp-1219464
-6.418534
-3.022526
0.563816
other
Sb2As2Ru2
6
10
118.45
mp-1290247
6.282493
13.752764
-2.264403
other
Li2Co8O16
26
10
279.12
mp-765739
14.773727
12.331649
-0.851782
other
V8O8F8
24
10
279.22
mp-19617
11.3801
11.271806
-2.389812
other
Rb2W6O18
26
10
382.72
mp-1216764
-5.131867
-1.417813
-3.182652
other
Ti1V1Se4
6
10
134.29
mp-1174403
4.227527
19.134056
-1.874032
other
Li7Co5O12
24
10
209.26
mp-37458
8.758117
1.301289
-0.123561
other
Na2H1F4
7
10
89.33
mp-1174683
6.651952
19.593029
-0.374552
other
Li10Mn6O16
32
10
286.22
mp-2228365
8.432135
14.687534
-1.351495
other
Mg1Mn6O12
19
10
312.65
mp-1174439
4.064131
19.614475
-1.80515
other
Li7Co5O12
24
10
215.06
mp-552024
6.456354
14.003277
-2.033907
other
Li2Co4O8
14
10
132.95
mp-1045561
8.436527
15.023203
-0.883524
other
Li1Mn2O4
7
10
75.85
mp-1175358
6.568069
20.285704
-0.224792
other
Li7Mn5O12
24
10
223.98
mp-1224768
-6.309374
-2.107454
0.882746
other
Fe3Ni1As8
12
10
183.92
mp-1216907
-5.390654
0.211327
3.079511
other
V11Fe1B8
20
10
196.3
mp-2225307
-5.072502
-0.761179
-5.315506
other
Mg1Mn2S4
7
10
131.39
mp-33500
10.232568
13.575902
-1.668411
other
Cr2H1O4
7
10
70.99
mp-1640700
4.605128
18.644398
-1.82279
other
Li14Co10O24
48
10
402.11
mp-776976
10.214117
1.603341
-2.084731
other
Co8O8F8
24
10
248.26
mp-1222147
-8.068023
-2.152969
3.655926
other
Mg8P8Ir23
39
10
586.82
mp-755455
9.434387
10.513275
-2.298701
other
Cu1Te1O4
6
10
83.52
mp-773525
11.111597
12.591337
-0.211017
other
Li1Fe3O4
8
10
78.91
mp-1174391
5.84822
16.228069
-1.673081
other
Li7Co5O12
24
10
189.21
mp-1185486
12.405455
12.084176
1.828054
other
Li4Ti8O16
28
10
285.86
mp-1224515
-5.264565
-3.456564
4.571945
other
Hf20Si12B1
33
10
599.61
mp-766483
-4.707998
-1.599348
-5.85676
other
Li14Cu24S20
58
10
868.24
mp-1218659
6.700188
11.979947
1.430154
other
Sr7Mn7O20
34
10
414.41
mp-1306886
6.315666
13.712664
-2.241342
other
Li2Co8O16
26
10
263.04
mp-997038
7.734056
10.643119
-0.857494
other
Ag2Pd2O4
8
10
105.66
mp-1234904
15.53857
5.708204
0.259917
other
Mg1Si16O32
49
10
834.66
mp-1223354
-7.590005
-5.958624
5.973756
other
La3Nd3Ni6
12
10
321.41
mp-1286090
5.381336
10.776944
-2.117814
other
Li6Fe4O12
22
10
210.7
mp-1226104
-6.288204
-2.026954
0.980251
other
Cr2Fe4As12
18
10
286.39
mp-1226078
-6.483204
-3.437795
-0.578954
other
Co2Bi2Te2
6
10
135.18
mp-1226035
-6.598104
-2.708665
0.139052
other
Co2Sb2Se2
6
10
113.91
mp-1181830
8.286169
3.729917
-6.204443
other
Ca4C8O16
28
10
429.1
mp-1002568
9.104056
14.617503
-0.277988
other
Mg2Mn4O8
14
10
160.06
mp-1205839
-7.955896
-6.362142
6.448495
other
Dy4Mg3Co2
9
10
213.97
mp-1174722
6.319612
20.048733
-0.394729
other
Li5Mn3O8
16
10
146.68
mp-1223301
-9.419894
-4.601761
4.413056
other
La2Al3Cu7
12
10
197.58
mp-756418
5.782845
12.727158
-2.582987
other
Fe3Co5O16
24
10
286.84
mp-1222092
-7.334891
-0.809922
4.035887
other
Mn12Rh4N1
17
10
194.45
mp-29354
-3.071773
-1.434353
-5.318098
other
Ba9Ta6S24
39
10
1,008.54
mp-2468835
-3.128143
1.60284
2.826247
other
Li7B18O1
26
10
238.55
mp-1100481
7.161258
19.542276
-0.117559
other
Li9Mn7O16
32
10
296.41
mp-754675
12.865576
-0.884881
0.44512
other
Mn6O6F6
18
10
209.89
mp-558543
8.335484
3.506778
-6.419069
other
Ca4C8O16
28
10
451.36
mp-569343
-7.865366
-6.249466
6.363417
other
Tb4Mg3Co2
9
10
216.89
mp-675581
10.396614
13.412992
-1.585166
other
Cr2H1O4
7
10
62.35
mp-1217829
-4.803114
-1.1654
-3.02918
other
Ta1Ti1Se4
6
10
138.75
mp-1237584
-6.446909
-2.401339
-1.021764
other
Cr1Fe2Te4
7
10
151.5
mp-504752
13.856272
8.299135
-2.186365
other
Fe6B2O10
18
10
177.73
mp-1207236
-7.532069
-7.042558
6.660571
other
Pr4Mg3Co2
9
10
238.97
mp-989406
0.854935
2.115685
1.952419
other
La2Tc2N6
10
10
142.52
mp-1247834
13.549819
5.303784
-1.532496
other
Al4B2O9
15
10
152.64
mp-759203
12.887675
-0.939319
0.513307
other
Mn8O8F8
24
10
278.66
mp-1175394
4.352906
19.269279
-1.822288
other
Li9Co7O16
32
10
284.36
mp-675334
12.408345
11.944485
1.779899
other
Li1Ti2O4
7
10
67.82
mp-1176774
9.913268
13.957962
-0.963632
other
Li1Cr2O4
7
10
74.36
mp-754922
12.694506
13.540522
-1.019544
other
Li1V2O4
7
10
75.95
mp-763065
13.238018
0.385497
0.866795
other
Fe6O6F6
18
10
208.29
mp-1238831
-5.531714
-0.113024
-5.782463
other
Cr2Ag1S4
7
10
131.67
mp-1205474
11.143607
6.80301
-6.173578
other
Al12P12O48
72
10
3,084.52
mp-1215787
9.069869
7.562253
-5.089854
other
Zr2P4O17
23
10
389.57
mp-615789
7.130784
9.86195
0.318954
other
Ba8Cu12O24
44
10
720.47
mp-1174646
6.764939
19.612259
-0.344152
other
Li5Mn3O8
16
10
142.85
mp-1225526
-4.809798
-5.056963
0.240789
other
Eu4Ga8As8
20
10
475.04
mp-560321
12.889489
6.956326
-0.431927
other
Mg8Si4O16
28
10
305.94
mp-757448
7.141176
13.116188
-1.845896
other
Co11Cu1O16
28
10
289.48
mp-8677
-5.616589
-2.544493
-1.393534
other
Zr1Ti1Te4
6
10
183.12
mp-1079063
1.937202
1.993418
0.790125
other
Na5Li1N2
8
10
149.93
mp-1225243
-5.688416
-1.401186
-3.035933
other
Fe8Ni2Se20
30
10
509.41
mp-1189312
-3.506187
1.393314
2.60566
other
Sr4Ni8B8
20
10
272.76
mp-1238784
-5.29555
-0.040176
-5.975283
other
Cr2Hg1S4
7
10
145.39
mp-1225168
-5.190226
-4.370502
6.024663
other
Er20Si12C1
33
10
756.65
mp-1202462
10.012525
11.376995
3.169194
other
Sr20Ti32O84
136
10
2,842.41
mp-1216792
-5.263978
0.173847
3.077991
other
V11Re1B8
20
10
200.5
mp-765640
10.865682
11.827849
3.225982
other
Sm3Ta17O47
67
10
925.64
mp-768425
7.110681
12.415454
-1.062681
other
Li18Co4O16
38
10
384.89
mp-996989
6.968695
8.327095
-2.237466
other
Li2Ag2O4
8
10
102.59
mp-850212
7.97402
14.224342
-1.356933
other
Na3Mn5O12
20
10
243.3
mp-753209
8.612567
1.044865
-0.423315
other
Li1Ag1F4
6
10
75.03
mp-1224810
-6.394257
-3.253301
0.72957
other
Fe1Ni1Sb4
6
10
125.07
mp-1198567
10.000051
11.363584
3.176431
other
Sr25Ti39O103
167
10
3,324.55
mp-1227380
-5.818228
-3.810119
-1.683203
other
Ca1Y2Te4
7
10
244.96
mp-2225295
8.427986
10.526982
-0.04996
other
Mg1Cu2O2
5
10
73.36
mp-1227408
-5.825199
-3.778281
-1.728086
original
Ca1Lu2Te4
7
10
235.62
mp-1309401
11.721882
13.607089
-1.917623
other
Mg4V6O16
26
10
286.02
mp-754540
-1.06729
2.234162
-2.624315
other
Ca1Pb1I4
6
10
266.98
mp-1222131
-4.940379
-0.713919
-5.400149
other
Mn2Sn1S4
7
10
146.38
mp-1223651
-3.735068
-0.575454
3.180902
other
La20Os12C13
45
10
997.76
mp-757303
12.174366
7.39029
-1.17998
other
Mg17As6O32
55
10
577.01
mp-1224218
-4.63637
-1.694376
-3.246526
original
Hf1Ti1Se4
6
10
148.23