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Li2O3Te_12

Solved Structure

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Energy-R2 Fit

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Run Summary

FormulaLi2O3Te
Crystal Systemmonoclinic
Input SG12
Solved SG12
R20.4743
Chi214.9768
Rwp/Wr68.1438
Statusbest_result
Valid Structures1447
Candidates30
Total Timen/a
Search Details
Phase 1 SGs3
Phase 2 Pairs5
Refined Structures907
Refine Failures229
Log Preview
  Refinement failed; continuing search without refined metrics.
ID 1374-124: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.829, -4.091, 0.076, 0.066 [refine-failed]
ID 1375-144: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.839, -4.847, 0.048, 0.078 79.100,  0.292, 20.180, -35.2, 17.8s
  Refinement failed; continuing search without refined metrics.
ID 1376-145: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.818, -4.182, 0.062, 0.096 [refine-failed]
ID 1377-148: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.819, -4.546, 0.045, 0.062 66.576,  0.498, 14.296, -28.7, 17.9s
  Refinement failed; continuing search without refined metrics.
ID 1378-168: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.864, -5.010, 0.024, 0.080 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1379-174: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.865, -4.331, 0.036, 0.070 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1380-178: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.782, -4.607, 0.034, 0.086 [refine-failed]
ID 1381-183: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.886, -4.751, 0.043, 0.267 66.108,  0.505, 14.095, -28.5, 14.2s
  Refinement failed; continuing search without refined metrics.
ID 1382-193: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.789, -4.451, 0.046, 0.095 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1383-194: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.875, -4.867, 0.089, 0.087 [refine-failed]
ID 1384-198: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.830, -4.994, 0.020, 0.086 71.307,  0.424, 16.399, -31.2, 28.4s
ID 1385-199: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.838, -4.434, 0.040, 0.091 69.796,  0.449, 15.712, -30.4, 15.1s
ID 1386-201: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.699, -4.525, 0.045, 0.073
  Refinement failed; continuing search without refined metrics.
ID 1387-203: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.866, -4.532, 0.032, 0.064 [refine-failed]
ID 1388-205: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.859, -4.545, 0.031, 0.328 69.580,  0.452, 15.615, -30.3, 19.2s
ID 1389-222: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.852, -4.985, 0.059, 0.088 71.928,  0.414, 16.686, -31.5, 22.4s
ID 1390-224: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.754, -4.259, 0.061, 0.043
  Refinement failed; continuing search without refined metrics.
ID 1391-225: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.837, -4.821, 0.050, 0.093 [refine-failed]
ID 1392-228: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.850, -4.579, 0.038, 0.038 71.528,  0.421, 16.501, -31.3, 46.4s
ID 1393-233: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.880, -4.789, 0.034, 0.069 70.121,  0.443, 15.859, -30.6, 8.0s
ID 1394-236: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.818, -4.189, 0.052, 0.091 76.853,  0.331, 19.050, -34.1, 7.1s
ID 1395-249: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.821, -4.579, 0.051, 0.079 75.650,  0.352, 18.458, -33.4, 12.3s
ID 1396-251: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.761, -5.040, 0.050, 0.069 84.519,  0.191, 23.040, -38.1, 44.4s
ID 1397-255: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.814, -4.542, 0.021, 0.066 70.704,  0.434, 16.123, -30.9, 11.2s
  Refinement failed; continuing search without refined metrics.
ID 1398-257: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.878, -4.585, 0.023, 0.085 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1399-258: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.852, -4.372, 0.036, 0.072 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1400-261: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.797, -4.412, 0.047, 0.092 [refine-failed]
ID 1401-265: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.858, -4.672, 0.027, 0.076 72.735,  0.401, 17.063, -31.9, 12.4s
  Refinement failed; continuing search without refined metrics.
ID 1402-266: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.857, -4.910, 0.053, 0.079 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1403-271: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.745, -4.617, 0.050, 0.081 [refine-failed]
ID 1404-274: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.890, -4.689, 0.009, 0.084 73.366,  0.391, 17.360, -32.2, 12.1s
ID 1405-275: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.860, -5.029, 0.024, 0.089 70.858,  0.432, 16.194, -30.9, 6.0s
  Refinement failed; continuing search without refined metrics.
ID 1406-279: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.798, -4.331, 0.061, 0.088 [refine-failed]
ID 1407-280: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.841, -4.824, 0.008, 0.073 74.715,  0.368, 18.005, -32.9, 11.1s
  Refinement failed; continuing search without refined metrics.
ID 1408-286: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.882, -4.742, 0.022, 0.088 [refine-failed]
ID 1409-288: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.848, -4.824, 0.010, 0.078 73.051,  0.396, 17.211, -32.1, 11.2s
ID 1410-289: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.880, -4.716, 0.064, 0.397 68.802,  0.464, 15.267, -29.9, 32.1s
ID 1411-294: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.804, -4.639, 0.032, 0.067 77.765,  0.315, 19.504, -34.5, 4.4s
  Refinement failed; continuing search without refined metrics.
ID 1412-300: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.789, -4.343, 0.066, 0.386 [refine-failed]
ID 1413-305: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.786, -4.240, 0.045, 0.085 71.375,  0.423, 16.431, -31.2, 12.8s
ID 1414-312: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.834, -5.043, 0.039, 0.057 71.172,  0.427, 16.337, -31.1, 7.4s
ID 1415-319: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.839, -4.461, 0.068, 0.076 65.819,  0.510, 13.972, -28.4, 54.5s
  Refinement failed; continuing search without refined metrics.
ID 1416-321: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.868, -4.746, 0.033, 0.096 [refine-failed]
ID 1417-328: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.745, -4.571, 0.049, 0.093
ID 1418-335: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.826, -4.452, 0.038, 0.075 72.478,  0.405, 16.943, -31.8, 10.4s
ID 1419-349: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.737, -4.566, 0.029, 0.078
ID 1420-358: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.660, -4.213, 0.054, 0.096
ID 1421-367: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.658, -4.623, 0.021, 0.216
  Refinement failed; continuing search without refined metrics.
ID 1422-369: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.872, -5.075, 0.006, 0.077 [refine-failed]
ID 1423-375: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.897, -4.499, 0.053, 0.109 73.097,  0.395, 17.233, -32.1, 10.3s
  Refinement failed; continuing search without refined metrics.
ID 1424-376: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.910, -4.926, 0.045, 0.067 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1425-379: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.870, -4.398, 0.050, 0.067 [refine-failed]
ID 1426-386: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.866, -4.855, 0.021, 0.096 73.688,  0.385, 17.513, -32.4, 10.6s
  Refinement failed; continuing search without refined metrics.
ID 1427-390: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.876, -4.433, 0.017, 0.071 [refine-failed]
ID 1428-395: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.670, -4.505, 0.045, 0.092
ID 1429-397: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.674, -4.579, 0.018, 0.086
ID 1430-399: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.895, -4.183, 0.088, 0.082 68.012,  0.476, 14.919, -29.5, 14.6s
ID 1431-401: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.851, -4.068, 0.098, 0.075 69.807,  0.448, 15.717, -30.4, 50.6s
  Refinement failed; continuing search without refined metrics.
ID 1432-405: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.849, -4.578, 0.038, 0.092 [refine-failed]
ID 1433-412: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.839, -4.815, 0.026, 0.094 74.053,  0.379, 17.687, -32.6, 13.7s
ID 1434-415: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.716, -4.441, 0.062, 0.069
ID 1435-416: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.863, -4.878, 0.026, 0.087 79.371,  0.287, 20.318, -35.4, 4.7s
  Refinement failed; continuing search without refined metrics.
ID 1436-417: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.865, -4.793, 0.052, 0.076 [refine-failed]
ID 1437-419: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.887, -4.607, 0.019, 0.083 64.132,  0.534, 13.265, -27.5, 14.9s
ID 1438-427: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.718, -4.959, 0.061, 0.069 84.550,  0.191, 23.057, -38.1, 59.0s
ID 1439-430: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.772, -4.406, 0.033, 0.089
ID 1440-441: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.824, -4.683, 0.024, 0.296 81.013,  0.257, 21.168, -36.3, 5.4s
  Refinement failed; continuing search without refined metrics.
ID 1441-444: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.834, -4.512, 0.050, 0.049 [refine-failed]
ID 1442-445: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.806, -4.822, 0.011, 0.093 77.202,  0.325, 19.223, -34.2, 11.6s
  Refinement failed; continuing search without refined metrics.
ID 1443-448: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.878, -5.063, 0.014, 0.071 [refine-failed]
ID 1444-451: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.752, -4.552, 0.022, 0.078
ID 1445-455: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.827, -4.798, 0.027, 0.073 71.748,  0.417, 16.603, -31.4, 20.9s
ID 1446-460: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.899, -4.532, 0.053, 0.071 63.865,  0.538, 13.155, -27.4, 5.5s
ID 1447-461: * 48  23   12 C2/m           3.69 8j 4i 2d 2c 8j 8j 4i 4i 4i 4i ,  vol=682.8 ų 0.857, -4.353, 0.012, 0.087 70.888,  0.431, 16.207, -31.0, 11.6s