Back to search page
LiMn7O12_5

Solved Structure

No saved CIF is available for this run. The log and PXRD CSV remain available for inspection.
Energy-R2 Fit

No Energy-R2 PNG is available for this run.
Run Summary

FormulaLiMn7O12
Crystal Systemmonoclinic
Input SG5
Solved SGn/a
R2n/a
Chi2n/a
Rwp/Wrn/a
Statusno_saved_cif
Valid Structures182
Candidates3
Total Time2h 13m 39.5s
Download PXRD CSV Download Log
Search Details

Phase 1 SGs11
Phase 2 Pairs3
Refined Structures0
Refine Failures0
More than one attempt reached and Stop further generation.
Log Preview

ID 91-144: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.577, -5.687, 0.203, 0.090
ID 92-148: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.631, -5.627, 0.128, 0.065
ID 93-149: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.545, -6.193, 0.101, 0.096
ID 94-155: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.591, -5.408, 0.146, 0.061
ID 95-163: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.568, -5.603, 0.028, 0.074
ID 96-164: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.600, -5.560, 0.194, 0.080
ID 97-166: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.613, -5.812, 0.075, 0.069
ID 98-168: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.607, -5.712, 0.063, 0.078
ID 99-169: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.639, -5.700, 0.046, 0.070
ID 100-178: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.549, -5.451, 0.013, 0.078
ID 101-179: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.554, -5.909, 0.165, 0.035
ID 102-181: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.560, -6.138, 0.144, 0.071
ID 103-183: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.581, -5.374, 0.091, 0.071
ID 104-190: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.573, -5.683, 0.192, 0.072
ID 105-193: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.587, -5.613, 0.143, 0.026
ID 106-194: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.637, -5.626, 0.138, 0.076
ID 107-196: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.564, -6.136, 0.141, 0.083
ID 108-199: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.545, -6.192, 0.096, 0.083
ID 109-203: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.565, -6.255, 0.105, 0.057
ID 110-204: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.592, -5.588, 0.158, 0.076
ID 111-209: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.633, -5.922, 0.076, 0.094
ID 112-210: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.545, -5.641, 0.179, 0.044
ID 113-214: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.554, -6.073, 0.094, 0.069
ID 114-216: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.622, -5.692, 0.106, 0.077
ID 115-217: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.616, -6.101, 0.065, 0.091
ID 116-220: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.599, -5.983, 0.069, 0.069
ID 117-223: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.605, -5.709, 0.032, 0.075
ID 118-228: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.617, -5.404, 0.012, 0.055
ID 119-229: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.637, -5.650, 0.069, 0.055
ID 120-237: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.564, -5.886, 0.157, 0.080
ID 121-241: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.561, -6.138, 0.142, 0.059
ID 122-243: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.590, -5.482, 0.128, 0.088

[Pair 3/3] vol=456.3 Å³, spg=12, dims=   5.225     8.941    10.252    72.290: 1 WP choices.
WP #1: spg=12, count=2, dof=10, n_wps=10, wyckoff=[['2a'], ['4f', '4e', '2d', '2c', '2b'], ['8j', '8j', '4i', '4i']]
ID 123-3: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.638, -6.132, 0.073, 0.095
ID 124-6: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.578, -5.900, 0.102, 0.059
ID 125-8: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.561, -5.921, 0.158, 0.075
ID 126-9: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.631, -5.284, 0.174, 0.097
ID 127-10: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.634, -5.922, 0.073, 0.082
ID 128-20: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.561, -6.138, 0.142, 0.088
ID 129-21: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.545, -6.192, 0.098, 0.078
ID 130-23: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.627, -6.089, 0.065, 0.087
ID 131-25: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.559, -5.963, 0.103, 0.090
ID 132-26: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.551, -6.075, 0.090, 0.084
ID 133-35: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.599, -6.120, 0.107, 0.087
ID 134-37: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.582, -5.733, 0.191, 0.086
ID 135-38: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.626, -6.089, 0.064, 0.094
ID 136-46: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.652, -5.644, 0.051, 0.092
ID 137-48: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.625, -5.691, 0.075, 0.070
ID 138-52: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.620, -5.265, 0.156, 0.040
ID 139-54: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.633, -5.663, 0.134, 0.068
ID 140-59: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.567, -6.114, 0.165, 0.067
ID 141-61: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.550, -6.077, 0.091, 0.037
ID 142-71: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.564, -6.092, 0.167, 0.233
ID 143-77: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.580, -5.729, 0.183, 0.094
ID 144-78: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.604, -5.417, 0.051, 0.070
ID 145-79: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.609, -5.697, 0.043, 0.092
ID 146-83: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.595, -5.636, 0.222, 0.087
ID 147-96: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.610, -6.141, 0.069, 0.095
ID 148-101: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.580, -6.125, 0.153, 0.073
ID 149-106: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.631, -6.129, 0.085, 0.175
ID 150-107: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.588, -6.135, 0.152, 0.078
ID 151-114: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.573, -6.026, 0.138, 0.078
ID 152-120: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.583, -6.114, 0.094, 0.080
ID 153-121: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.637, -5.364, 0.012, 0.078
ID 154-124: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.574, -5.603, 0.027, 0.074
ID 155-134: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.552, -6.077, 0.094, 0.066
ID 156-136: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.566, -5.601, 0.032, 0.067
ID 157-140: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.608, -5.659, 0.204, 0.068
ID 158-142: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.635, -5.668, 0.067, 0.086
ID 159-144: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.631, -5.806, 0.139, 0.074
ID 160-148: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.618, -5.616, 0.133, 0.068
ID 161-149: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.580, -5.767, 0.074, 0.382
ID 162-159: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.613, -5.753, 0.149, 0.059
ID 163-164: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.586, -5.743, 0.203, 0.060
ID 164-166: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.615, -6.100, 0.066, 0.086
ID 165-168: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.670, -5.327, 0.000, 0.096
ID 166-169: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.663, -5.688, 0.136, 0.201
ID 167-178: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.613, -5.472, 0.002, 0.262
ID 168-179: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.561, -5.921, 0.158, 0.076
ID 169-181: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.598, -6.103, 0.111, 0.069
ID 170-183: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.606, -5.634, 0.155, 0.071
ID 171-199: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.545, -6.192, 0.098, 0.066
ID 172-203: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.608, -6.141, 0.076, 0.245
ID 173-204: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.587, -6.037, 0.128, 0.068
ID 174-209: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.604, -5.698, 0.046, 0.125
ID 175-210: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.596, -5.636, 0.219, 0.063
ID 176-214: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.635, -5.947, 0.080, 0.029
ID 177-216: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.598, -5.836, 0.103, 0.075
ID 178-217: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.564, -6.255, 0.106, 0.064
ID 179-219: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.579, -5.661, 0.217, 0.072
ID 180-220: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.615, -6.100, 0.066, 0.063
ID 181-223: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.619, -5.657, 0.073, 0.063
ID 182-228: * 40  14   12 C2/m           4.25 2a 4f 4e 2d 2c 2b 8j 8j 4i 4i ,  vol=456.3 Å³ 0.616, -6.100, 0.065, 0.077
More than one attempt reached and Stop further generation.
Timing breakdown:
  1) SPG + cell inference: 7m 33.1s
  2) Structure inference: 2h 6m 06.4s
  Total: 2h 13m 39.5s