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LiO10V5_5

Solved Structure

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Energy-R2 Fit

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Run Summary

FormulaLiO10V5
Crystal Systemmonoclinic
Input SG5
Solved SG5
R20.511
Chi27.7339
Rwp/Wr67.096
Statusbest_result
Valid Structures934
Candidates9
Total Time15h 59m 11.6s
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Search Details

Phase 1 SGs77
Phase 2 Pairs3
Refined Structures291
Refine Failures128
More than one attempt reached and Stop further generation.
Log Preview

ID 851-311: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.597, -6.709, 0.143, 0.069
ID 852-312: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.633, -6.571, 0.095, 0.081
ID 853-316: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.682, -7.151, 0.106, 0.070
ID 854-319: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.526, -6.611, 0.110, 0.072
ID 855-320: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.749, -7.114, 0.079, 0.056 70.973,  0.453,  8.654, -29.4, 43.9s
ID 856-321: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.798, -7.050, 0.088, 0.062 81.339,  0.281, 11.366, -34.4, 27.4s
ID 857-323: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.592, -6.752, 0.103, 0.075
ID 858-328: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.666, -7.127, 0.101, 0.066
ID 859-332: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.738, -7.169, 0.116, 0.074 78.401,  0.332, 10.560, -33.0, 37.0s
  Refinement failed; continuing search without refined metrics.
ID 860-336: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.731, -7.230, 0.095, 0.098 [refine-failed]
ID 861-337: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.671, -7.126, 0.098, 0.092
ID 862-347: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.742, -7.151, 0.052, 0.091 83.859,  0.236, 12.081, -35.6, 27.1s
  Refinement failed; continuing search without refined metrics.
ID 863-349: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.728, -7.163, 0.075, 0.084 [refine-failed]
ID 864-350: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.714, -7.146, 0.078, 0.074 85.414,  0.208, 12.533, -36.4, 45.6s
ID 865-351: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.669, -7.158, 0.089, 0.076
ID 866-352: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.461, -6.714, 0.110, 0.089
ID 867-357: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.686, -7.152, 0.107, 0.072
ID 868-364: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.554, -7.170, 0.089, 0.087
ID 869-369: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.635, -6.531, 0.133, 0.070
ID 870-376: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.694, -7.175, 0.092, 0.073
  Refinement failed; continuing search without refined metrics.
ID 871-377: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.770, -7.152, 0.057, 0.052 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 872-378: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.792, -6.916, 0.137, 0.094 [refine-failed]
ID 873-388: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.710, -7.167, 0.071, 0.077 88.022,  0.158, 13.310, -37.6, 38.9s
ID 874-390: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.619, -7.117, 0.141, 0.081
ID 875-391: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.766, -7.142, 0.097, 0.073 78.511,  0.331, 10.589, -33.0, 46.4s
ID 876-395: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.504, -7.103, 0.087, 0.092
ID 877-396: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.702, -7.049, 0.090, 0.075 81.833,  0.273, 11.504, -34.6, 40.9s
ID 878-400: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.683, -7.152, 0.108, 0.093
ID 879-401: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.505, -6.995, 0.142, 0.061
ID 880-403: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.732, -7.230, 0.095, 0.034 81.116,  0.285, 11.304, -34.3, 9.4s
ID 881-411: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.733, -7.166, 0.119, 0.046 76.881,  0.358, 10.154, -32.2, 46.2s
  Refinement failed; continuing search without refined metrics.
ID 882-415: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.794, -7.040, 0.099, 0.077 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 883-416: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.726, -7.163, 0.075, 0.097 [refine-failed]
ID 884-418: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.741, -7.227, 0.097, 0.098 80.568,  0.295, 11.152, -34.0, 12.9s
ID 885-424: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.588, -7.134, 0.099, 0.081
ID 886-425: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.557, -7.171, 0.090, 0.076
  Refinement failed; continuing search without refined metrics.
ID 887-437: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.755, -7.070, 0.089, 0.073 [refine-failed]
ID 888-438: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.732, -7.169, 0.117, 0.065 79.378,  0.316, 10.825, -33.4, 34.9s
ID 889-439: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.784, -7.036, 0.096, 0.074 77.545,  0.347, 10.330, -32.6, 19.5s
ID 890-446: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.717, -7.161, 0.069, 0.075 85.170,  0.212, 12.462, -36.2, 32.9s
  Refinement failed; continuing search without refined metrics.
ID 891-453: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.809, -7.072, 0.140, 0.071 [refine-failed]
ID 892-454: * 32  26    5 C2             3.95 2b 4c 4c 4c 4c 4c 4c 2b 2a 2a ,  vol=354.7 Å³ 0.739, -7.228, 0.098, 0.080 82.532,  0.260, 11.702, -35.0, 43.3s
WP #3: spg=5, count=1, dof=21, n_wps=11, wyckoff=[['2a'], ['4c', '4c', '4c', '4c', '4c'], ['2b', '2b', '2b', '2a', '2a']]
ID 893-5: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.716, -5.377, 0.230, 0.090
ID 894-11: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.714, -5.510, 0.255, 0.064
ID 895-27: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.702, -5.523, 0.244, 0.075
ID 896-29: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.702, -5.523, 0.246, 0.077
ID 897-53: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.716, -5.377, 0.232, 0.076
ID 898-71: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.721, -5.376, 0.224, 0.087
ID 899-110: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.703, -5.364, 0.191, 0.067
ID 900-114: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.734, -5.093, 0.266, 0.113
ID 901-115: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.712, -5.509, 0.255, 0.085
ID 902-130: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.702, -5.522, 0.246, 0.177
ID 903-142: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.715, -5.376, 0.230, 0.074
ID 904-145: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.707, -5.478, 0.223, 0.069
ID 905-148: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.703, -5.523, 0.245, 0.061
ID 906-150: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.716, -5.377, 0.230, 0.085
ID 907-152: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.754, -4.918, 0.230, 0.054
ID 908-183: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.739, -5.040, 0.185, 0.064
ID 909-204: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.705, -5.285, 0.165, 0.088
ID 910-206: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.702, -5.290, 0.181, 0.068
ID 911-217: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.718, -5.377, 0.228, 0.098
ID 912-218: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.703, -5.328, 0.174, 0.083
ID 913-228: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.714, -5.509, 0.256, 0.088
ID 914-247: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.726, -5.093, 0.161, 0.097
ID 915-276: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.717, -5.377, 0.229, 0.090
ID 916-277: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.709, -5.343, 0.172, 0.069
ID 917-285: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.714, -5.518, 0.248, 0.077
ID 918-289: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.703, -5.458, 0.227, 0.069
ID 919-296: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.719, -5.360, 0.190, 0.087
ID 920-301: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.713, -5.518, 0.248, 0.069
ID 921-309: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.703, -5.457, 0.222, 0.097
ID 922-323: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.714, -5.517, 0.247, 0.074
ID 923-330: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.702, -5.522, 0.244, 0.079
ID 924-341: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.725, -5.363, 0.179, 0.096
ID 925-346: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.703, -5.523, 0.245, 0.097
ID 926-347: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.714, -5.518, 0.248, 0.036
ID 927-348: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.701, -5.361, 0.186, 0.092
ID 928-359: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.714, -5.518, 0.249, 0.050
ID 929-363: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.702, -5.359, 0.192, 0.080
ID 930-365: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.707, -5.345, 0.178, 0.063
ID 931-375: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.704, -5.457, 0.213, 0.067
ID 932-378: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.714, -5.517, 0.248, 0.073
ID 933-386: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.702, -5.458, 0.230, 0.031
ID 934-418: * 32  25    5 C2             3.95 2a 4c 4c 4c 4c 4c 2b 2b 2b 2a 2a ,  vol=354.7 Å³ 0.707, -5.478, 0.223, 0.085
More than one attempt reached and Stop further generation.
Timing breakdown:
  1) SPG + cell inference: 22m 05.0s
  2) Structure inference: 15h 37m 06.6s
  Total: 15h 59m 11.6s
No acceptance; return best result in spg=5
Best inferred-SG score observed: -26.3603