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-1179898
6.523055
5.98075
-3.779812
other
Pr2Cl6O12
20
13
388.42
mp-555747
10.170553
10.838778
0.863183
other
Lu8W4O24
36
13
421.73
mp-1041585
11.713986
11.127394
-2.160224
other
Re2W4O16
22
13
278.07
mp-1041809
11.565868
11.290774
-2.304032
other
Ta2W4O16
22
13
284.56
mp-758899
8.225306
2.247197
-0.798933
other
Sb8O4F32
44
13
776.66
mp-27024
9.972528
8.242463
-6.707695
other
Co4P10O32
46
13
599.61
mp-1047617
9.392931
10.818897
-3.224716
other
Co2W4O16
22
13
271.42
mp-1190209
-0.677913
0.914601
-3.908005
other
Rb2Hf4Br18
24
13
830.62
mp-27345
6.096828
8.814924
-0.874449
other
Na6Bi2O8
16
13
206.35
mp-561455
-3.139919
-1.710297
-5.358079
other
Ba32Sb24S68
124
13
3,726.58
mp-10543
9.657718
9.089013
0.229157
other
K6Sb2O8
16
13
259.48
mp-1188760
6.543754
5.993987
-3.777953
other
Nd2Cl6O12
20
13
355.84
mp-1019892
13.968416
4.211514
-2.298026
other
La4B16O30
50
13
444.64
mp-7461
9.568876
5.761382
-5.229992
other
Hg4S2O8
14
13
236.18
mp-760102
9.128008
2.939742
0.449777
other
W8O4F32
44
13
782.52
mp-775211
10.311371
10.715393
1.022535
other
Ho8W4O24
36
13
441.75
mp-765573
10.361797
10.877972
3.13261
other
Li8Zr6O16
30
13
340.99
mp-26134
11.679221
7.912606
-7.44565
other
Cr4P10O32
46
13
644.91
mp-779528
12.309705
12.750975
2.384424
other
Ti34N12O48
94
13
1,113.54
mp-1181242
8.070746
6.812603
-4.478431
other
Np8S4O40
52
13
1,060.99
mp-1047717
10.924378
11.458744
-2.918004
other
V2W4O16
22
13
272.57
mp-1182681
6.429628
6.045493
-3.755221
other
Eu2Cl6O12
20
13
350.6
mp-39025
11.00569
11.857474
2.515743
other
Nb4O8F4
16
13
237.62
mp-1041365
6.242919
9.002247
-1.196321
other
Mg2Bi8O18
28
13
419.95
mp-30136
11.077287
10.913176
-3.772593
other
Hg4Mo4O14
22
13
335.08
mp-17646
7.333694
9.634969
-1.927981
other
Yb8W4O24
36
13
473.11
mp-1190313
6.526714
5.98531
-3.73862
other
Dy2Cl6O12
20
13
369.19
mp-558781
10.877889
10.522658
3.17502
other
Sc2Ta2O8
12
13
140.55
mp-1176637
10.649237
0.004077
0.17432
other
Li4Mn4F16
24
13
278.08
mp-30023
1.569639
2.171624
-5.141335
other
Ba2Al4Cl16
22
13
701.96
mp-1237269
7.163085
6.101031
-4.171644
other
Ca2B4O20
26
13
405.53
mp-29710
11.496901
7.531363
-4.150418
other
Hg8P4O14
26
13
429.66
mp-1192801
7.254248
5.807816
-3.782798
other
Ca2B4O20
26
13
310.55
mp-554878
8.958896
6.801629
-2.92892
other
Pr4Sb4O16
24
13
374.17
mp-752970
13.986994
12.015874
-2.158909
other
V4O4F8
16
13
201.31
mp-772579
10.103488
10.693417
1.170022
other
La8W4O24
36
13
529.21
mp-1195412
6.297061
11.628132
0.186024
other
Ca16Co16O40
72
13
883.76
mp-653062
2.243773
2.849781
-4.463063
other
Mo8Cl32O4
44
13
1,257.83
mp-1213553
1.211338
2.279975
-3.914435
other
Fe4Br16N4
24
13
884.29
mp-1283971
7.455112
12.820706
-1.59311
other
Co4Pt4O8
16
13
182.57
mp-1041563
9.568508
11.282583
-2.921367
other
Mn2W4O16
22
13
260.85
mp-1041598
9.522549
11.020727
-3.18371
other
Fe2W4O16
22
13
281.86
mp-772962
10.801782
11.259056
-2.514095
other
K12W18O60
90
13
1,376.06
mp-1173424
10.396999
7.338036
-5.958313
other
Nb2P2O10
14
13
202.69
mp-1189972
6.603202
5.943044
-3.637041
other
Tb2Cl6O12
20
13
369.64
mp-4574
7.690213
8.94696
-1.555043
other
Yb2Ta2O8
12
13
155.39
mp-1181167
9.202382
6.112183
-3.827031
other
Na8B16O44
68
13
1,080.38
mp-19455
11.199249
11.38935
-2.842579
other
Mn2Mo2O8
12
13
134.72
mp-1212557
6.620432
6.02976
-3.763711
other
Ho2Cl6O12
20
13
341.81
mp-5489
10.61447
10.497764
3.261182
other
Lu2Ta2O8
12
13
141.16
mp-1176449
5.828674
12.079397
-1.685792
other
Na4Fe8O16
28
13
356.01
mp-504907
12.954163
10.975539
-0.52742
other
K4Mo16O32
52
13
732.25
mp-1273133
8.67164
14.838479
-0.971793
other
Mn14Pb2O24
40
13
431.47
mp-771981
-0.309466
0.716297
-3.72739
other
Ba2La4Br16
22
13
925.88
mp-27016
10.465906
7.969655
-6.823066
other
Fe4P10O32
46
13
669.24
mp-770871
9.657174
12.504976
-1.033247
other
Li12Cr4O14
30
13
326.16
mp-1245338
1.244008
2.495249
1.772223
other
Mg16Mn6N18
40
13
458.02
mp-9576
-4.538573
-2.872232
-3.677175
other
K4Sb4Se8
16
13
532.39
mp-764033
8.391957
14.843068
-0.983736
other
Na4Mn8O16
28
13
350.5
mp-759985
7.985476
2.084505
1.064697
other
Bi12O8F20
40
13
645.35
mp-1190169
4.517214
2.229462
-3.283351
other
Li2C12N8
22
13
359.69
mp-1102003
10.116935
12.712993
-3.547977
other
V2In2O8
12
13
137.79
mp-1188744
6.767083
5.952137
-3.46832
other
Pr2Br6O12
20
13
429.48
mp-1190101
6.542543
6.013461
-3.812442
other
Pr2Cl6O12
20
13
372.93
mp-756457
10.596321
10.535848
3.330725
other
Er2Nb2O8
12
13
156.44
mp-7703
10.590428
10.547367
3.326962
other
Dy2Ta2O8
12
13
146.87
mp-12933
10.661648
10.497877
3.289212
other
Tm2Ta2O8
12
13
142.31
mp-731726
7.803501
7.117013
-4.597446
other
S8N12O32
52
13
911.06
mp-1201711
6.927392
6.350466
-3.972249
other
Na10As4O36
50
13
925.6
mp-559510
10.34005
10.834896
0.954105
other
Y8W4O24
36
13
449.02
mp-777151
9.988926
0.654621
0.234434
other
Li2Fe4F14
20
13
289.08
mp-22296
12.130064
11.995286
-2.205023
other
V10Pb4O24
38
13
504.13
mp-675391
-5.255558
-2.187262
-3.574415
other
Tl4Fe6Se8
18
13
419.53
mp-752426
-3.773405
-1.254084
-5.556417
other
Li6Sb2S8
16
13
292.25
mp-1276026
12.904882
12.904128
-0.470534
other
Li4V4O8
16
13
150.26
mp-19421
11.974238
11.603087
-1.771987
other
Fe2W2O8
12
13
132.55
mp-1933075
9.585424
9.597788
-0.218318
other
Mg2Sn4O10
16
13
225.84
mp-1214155
6.392418
6.138103
-3.760864
other
Ce2Cl6O12
20
13
374.82
mp-553898
11.628677
7.356453
-1.443661
other
Ge12Pb12O36
60
13
963.4
mp-1192983
6.790946
6.054619
-3.947327
other
Ca2B4O20
26
13
371.67
mp-557189
12.89793
6.693819
-7.164449
other
Li20P20O60
100
13
1,212.14
mp-1209998
1.201955
1.834406
-5.320135
other
Na2Tm2Cl8
12
13
319.32
mp-23498
-1.183745
0.854816
-3.807934
other
Nb4Se4Br12
20
13
614.98
mp-3203
10.559485
10.567829
3.373588
other
Nd2Ta2O8
12
13
158.93
mp-1173397
10.786429
9.488007
3.305302
other
Sc6Nb2O14
22
13
263.6
mp-769144
12.553908
8.0484
-0.890401
other
Sn12Ge12O36
60
13
970.8
mp-752545
10.536091
0.180737
0.174358
other
Li2Mn4F14
20
13
281.47
mp-1106337
8.489017
13.718137
-0.928939
original
Mn4Pb4O12
20
13
308.61
mp-1041411
6.119196
8.969481
-1.091342
other
Ca2Bi8O18
28
13
411.14
mp-4875
10.506007
10.625665
3.302287
other
Gd2Ta2O8
12
13
151.82
mp-1047821
6.455296
11.627101
-1.777178
other
Zn2Co8O18
28
13
329.97
mp-1041777
7.709481
9.98653
-3.833328
other
Cr12Cu6O42
60
13
1,045.93
mp-1189107
1.352059
2.366541
-4.948095
other
Cs2Ti4Cl14
20
13
531.99
mp-676815
8.3615
2.463805
-0.845157
other
Os2Cl2F16
20
13
323.49
mp-778814
10.420802
10.760076
0.804211
other
Tm8W4O24
36
13
430.44
mp-21179
10.617202
11.461879
-2.282769
other
Ni2W2O8
12
13
127.58
mp-21723
12.247975
6.564335
-1.04172
other
Si12Pb12O36
60
13
894.27
mp-995206
7.922244
1.913727
-4.520096
other
H8C4O4
16
13
175.38
mp-771017
10.244172
10.832782
1.071489
other
Tb8W4O24
36
13
452.94
mp-560085
9.435281
8.312373
-0.529247
other
Bi48Cl20O62
130
13
2,385.28