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B4C_8

Solved Structure

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Energy-R2 Fit

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Run Summary

FormulaB4C
Crystal Systemmonoclinic
Input SG8
Solved SG12
R20.9462
Chi20.7592
Rwp/Wr20.4246
Statusbest_result
Valid Structures1506
Candidates74
Total Time18h 22m 48.5s
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Search Details

Phase 1 SGs72
Phase 2 Pairs28
Refined Structures806
Refine Failures178
Reached maximum structure limit and Stop further generation.
Log Preview

ID 1425-43: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.728, -6.758, 0.009, 0.085 84.756,  0.074, 13.074, -36.4, 34.1s
ID 1426-50: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.643, -6.674, 0.059, 0.094 87.393,  0.015, 13.900, -37.7, 4.2s
ID 1427-55: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.775, -6.658, 0.075, 0.096 82.758,  0.117, 12.465, -35.4, 49.6s
ID 1428-56: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.665, -6.659, 0.017, 0.076 83.065,  0.110, 12.558, -35.6, 5.0s
ID 1429-57: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.610, -6.693, 0.062, 0.084 87.457,  0.014, 13.920, -37.7, 48.0s
ID 1430-61: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.637, -6.836, 0.000, 0.082 87.472,  0.014, 13.925, -37.8, 35.0s
ID 1431-64: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.559, -6.703, 0.094, 0.079 85.544,  0.057, 13.318, -36.8, 59.5s
  Refinement failed; continuing search without refined metrics.
ID 1432-69: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.694, -6.675, 0.054, 0.065 [refine-failed]
ID 1433-71: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.737, -6.695, 0.093, 0.070 85.589,  0.056, 13.332, -36.8, 50.0s
  Refinement failed; continuing search without refined metrics.
ID 1434-72: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.664, -6.390, 0.100, 0.076 [refine-failed]
ID 1435-73: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.670, -6.652, 0.013, 0.078 87.449,  0.014, 13.918, -37.7, 13.8s
ID 1436-79: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.689, -6.644, 0.107, 0.087 86.768,  0.029, 13.702, -37.4, 3.5s
ID 1437-83: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.519, -6.458, 0.105, 0.098 86.515,  0.035, 13.622, -37.3, 22.5s
  Refinement failed; continuing search without refined metrics.
ID 1438-85: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.667, -6.650, 0.081, 0.065 [refine-failed]
ID 1439-99: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.741, -6.710, 0.034, 0.072 82.682,  0.119, 12.442, -35.4, 13.9s
ID 1440-105: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.648, -6.586, 0.029, 0.064 86.097,  0.044, 13.491, -37.1, 19.4s
ID 1441-108: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.610, -6.693, 0.108, 0.082 85.890,  0.049, 13.426, -37.0, 22.5s
ID 1442-110: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.695, -6.695, 0.007, 0.060 87.176,  0.020, 13.831, -37.6, 13.7s
ID 1443-113: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.727, -6.640, 0.025, 0.073 85.605,  0.055, 13.337, -36.8, 34.6s
  Refinement failed; continuing search without refined metrics.
ID 1444-114: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.600, -6.679, 0.051, 0.063 [refine-failed]
ID 1445-119: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.677, -6.663, 0.051, 0.090 86.174,  0.043, 13.515, -37.1, 18.3s
ID 1446-120: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.637, -6.767, 0.029, 0.066 82.684,  0.119, 12.443, -35.4, 28.6s
ID 1447-121: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.653, -6.621, 0.147, 0.062 83.845,  0.094, 12.794, -36.0, 46.7s
ID 1448-124: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.554, -6.687, 0.020, 0.097 87.504,  0.013, 13.936, -37.8, 5.1s
ID 1449-126: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.701, -6.598, 0.056, 0.069 84.606,  0.077, 13.028, -36.3, 16.1s
  Refinement failed; continuing search without refined metrics.
ID 1450-130: * 30  25   13 P2/c           2.52 4g 4g 4g 4g 4g 4g 2f 2e 2e ,  vol=218.1 Å³ 0.705, -6.541, 0.137, 0.079 [refine-failed]
WP #3: spg=13, count=4, dof=15, n_wps=5, wyckoff=[['4g', '4g', '4g', '4g'], ['4g']]
ID 1451-2: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.230, -6.609, 0.016, 0.075
ID 1452-3: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.427, -6.657, 0.097, 0.033
ID 1453-6: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.535, -6.718, 0.080, 0.069 84.507,  0.079, 12.997, -36.3, 29.7s
ID 1454-8: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.243, -6.702, 0.053, 0.091
ID 1455-10: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.384, -6.615, 0.004, 0.082
ID 1456-11: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.419, -6.316, 0.033, 0.058
ID 1457-13: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.345, -6.639, 0.017, 0.088
ID 1458-15: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.485, -6.650, 0.080, 0.070 86.153,  0.043, 13.508, -37.1, 40.8s
ID 1459-16: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.364, -6.737, 0.024, 0.086
  Refinement failed; continuing search without refined metrics.
ID 1460-17: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.484, -6.507, 0.030, 0.092 [refine-failed]
ID 1461-18: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.301, -6.717, 0.047, 0.068
ID 1462-19: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.369, -6.690, 0.044, 0.091
ID 1463-21: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.443, -6.497, 0.012, 0.078 85.829,  0.050, 13.407, -36.9, 13.5s
ID 1464-23: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.232, -6.665, 0.008, 0.066
ID 1465-24: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.214, -6.721, 0.003, 0.082
ID 1466-25: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.222, -6.589, 0.015, 0.066
  Refinement failed; continuing search without refined metrics.
ID 1467-26: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.529, -6.564, 0.065, 0.089 [refine-failed]
ID 1468-27: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.286, -6.682, 0.096, 0.095
  Refinement failed; continuing search without refined metrics.
ID 1469-30: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.452, -6.576, 0.009, 0.097 [refine-failed]
ID 1470-32: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.408, -6.425, 0.092, 0.078
ID 1471-34: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.309, -6.768, 0.002, 0.062
ID 1472-35: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.250, -6.607, 0.002, 0.078
ID 1473-36: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.356, -6.567, 0.077, 0.087
ID 1474-38: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.363, -6.599, 0.052, 0.097
ID 1475-39: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.387, -6.769, 0.080, 0.078
ID 1476-40: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.504, -6.570, 0.068, 0.085 86.548,  0.034, 13.633, -37.3, 25.4s
ID 1477-42: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.609, -6.492, 0.113, 0.065 76.716,  0.241, 10.711, -32.5, 30.9s
ID 1478-44: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.259, -6.537, 0.011, 0.090
ID 1479-46: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.472, -6.579, 0.104, 0.064 87.498,  0.013, 13.934, -37.8, 6.9s
ID 1480-48: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.344, -6.711, 0.054, 0.076
ID 1481-49: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.363, -6.380, 0.045, 0.069
ID 1482-50: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.318, -6.707, 0.049, 0.076
ID 1483-51: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.360, -6.605, 0.043, 0.062
ID 1484-53: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.370, -6.527, 0.038, 0.053
ID 1485-55: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.426, -6.600, 0.058, 0.084
ID 1486-60: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.413, -6.685, 0.035, 0.082
ID 1487-61: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.500, -6.730, 0.102, 0.072 87.437,  0.014, 13.914, -37.7, 5.4s
ID 1488-63: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.290, -6.682, 0.097, 0.088
ID 1489-64: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.441, -6.707, 0.103, 0.078 85.930,  0.048, 13.439, -37.0, 25.4s
ID 1490-69: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.403, -6.485, 0.029, 0.086
ID 1491-72: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.371, -6.583, 0.063, 0.077
ID 1492-73: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.288, -6.534, 0.007, 0.083
ID 1493-75: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.348, -6.596, 0.070, 0.088
ID 1494-76: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.216, -6.604, 0.006, 0.079
ID 1495-77: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.423, -6.628, 0.044, 0.070
ID 1496-79: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.233, -6.625, 0.008, 0.084
ID 1497-80: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.500, -6.595, 0.006, 0.149 81.729,  0.139, 12.157, -34.9, 49.8s
ID 1498-81: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.271, -6.464, 0.041, 0.048
  Refinement failed; continuing search without refined metrics.
ID 1499-82: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.552, -6.576, 0.073, 0.068 [refine-failed]
ID 1500-84: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.387, -6.578, 0.056, 0.038
ID 1501-89: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.504, -6.662, 0.040, 0.089 82.950,  0.113, 12.523, -35.5, 20.9s
ID 1502-90: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.623, -6.456, 0.071, 0.067 83.681,  0.097, 12.745, -35.9, 33.4s
ID 1503-92: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.601, -6.585, 0.090, 0.334 80.177,  0.171, 11.700, -34.2, 10.6s
ID 1504-93: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.566, -6.415, 0.026, 0.071 85.584,  0.056, 13.331, -36.8, 14.3s
ID 1505-94: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.360, -6.502, 0.025, 0.077
ID 1506-95: * 20  19   13 P2/c           1.68 4g 4g 4g 4g 4g ,  vol=218.1 Å³ 0.369, -6.459, 0.004, 0.075
Reached max relaxation (1500); stopping further generation.
Reached maximum structure limit and Stop further generation.
Timing breakdown:
  1) SPG + cell inference: 19m 58.3s
  2) Structure inference: 18h 2m 50.3s
  Total: 18h 22m 48.5s
No acceptance; return best result in spg=12
Best inferred-SG score observed: -6.9024