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Br6NaO2W2_12
Solved Structure
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Energy-R2 Fit
Open PNGRun Summary
FormulaBr6NaO2W2
Crystal Systemmonoclinic
Input SG12
Solved SG8
R20.6507
Chi26.1324
Rwp/Wr57.4882
Statusbest_result
Valid Structures1711
Candidates27
Total Time16h 51m 51.1s
Search Details
Phase 1 SGs3
Phase 2 Pairs3
Refined Structures348
Refine Failures210
Reached maximum structure limit and Stop further generation.
Log Preview
ID 1626-214: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.681, -3.276, 0.055, 0.285 ID 1627-216: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.627, -3.373, 0.042, 0.041 ID 1628-217: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.814, -3.248, 0.055, 0.381 75.290, 0.401, 10.518, -31.6, 12.8s ID 1629-218: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.675, -3.102, 0.034, 0.071 Refinement failed; continuing search without refined metrics. ID 1630-220: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.892, -3.490, 0.046, 0.090 [refine-failed] ID 1631-221: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.618, -3.682, 0.044, 0.440 ID 1632-223: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.654, -3.467, 0.059, 0.064 ID 1633-224: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.529, -3.436, 0.029, 0.090 ID 1634-225: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.682, -3.262, 0.037, 0.097 ID 1635-226: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.692, -3.600, 0.040, 0.077 ID 1636-230: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.605, -3.670, 0.050, 0.089 ID 1637-231: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.777, -3.419, 0.057, 0.088 ID 1638-232: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.846, -3.439, 0.035, 0.093 72.417, 0.446, 9.731, -30.2, 21.4s ID 1639-236: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.681, -3.640, 0.041, 0.094 ID 1640-237: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.753, -3.286, 0.050, 0.071 ID 1641-239: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.442, -3.302, 0.036, 0.070 Refinement failed; continuing search without refined metrics. ID 1642-242: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.850, -2.995, 0.058, 0.085 [refine-failed] ID 1643-243: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.641, -3.560, 0.044, 0.087 ID 1644-245: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.666, -3.581, 0.050, 0.212 ID 1645-246: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.655, -3.431, 0.037, 0.135 ID 1646-247: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.821, -3.444, 0.063, 0.079 81.723, 0.294, 12.393, -34.7, 19.4s ID 1647-248: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.648, -3.148, 0.037, 0.064 ID 1648-249: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.487, -3.113, 0.052, 0.200 ID 1649-251: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.727, -3.003, 0.054, 0.068 Refinement failed; continuing search without refined metrics. ID 1650-252: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.826, -3.489, 0.035, 0.273 [refine-failed] ID 1651-253: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.587, -3.270, 0.064, 0.067 ID 1652-255: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.790, -3.535, 0.041, 0.089 79.783, 0.327, 11.811, -33.8, 21.3s ID 1653-256: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.528, -3.291, 0.049, 0.100 ID 1654-257: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.607, -3.365, 0.033, 0.064 Refinement failed; continuing search without refined metrics. ID 1655-258: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.800, -3.139, 0.062, 0.073 [refine-failed] ID 1656-259: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.583, -3.372, 0.035, 0.347 ID 1657-261: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.607, -3.368, 0.040, 0.080 ID 1658-262: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.527, -3.529, 0.038, 0.094 ID 1659-263: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.770, -3.028, 0.073, 0.098 ID 1660-264: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.795, -3.297, 0.068, 0.412 76.722, 0.378, 10.922, -32.3, 28.7s ID 1661-267: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.757, -3.196, 0.069, 0.083 ID 1662-270: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.766, -3.546, 0.058, 0.075 ID 1663-271: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.815, -3.397, 0.056, 0.086 80.342, 0.318, 11.977, -34.1, 15.7s ID 1664-273: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.575, -3.630, 0.043, 0.059 ID 1665-274: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.744, -3.484, 0.044, 0.071 ID 1666-276: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.540, -2.896, 0.072, 0.069 ID 1667-277: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.692, -3.585, 0.043, 0.070 ID 1668-278: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.807, -2.984, 0.075, 0.104 79.650, 0.329, 11.772, -33.7, 7.9s ID 1669-279: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.520, -3.264, 0.059, 0.166 Refinement failed; continuing search without refined metrics. ID 1670-280: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.821, -3.372, 0.052, 0.183 [refine-failed] ID 1671-281: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.799, -3.297, 0.040, 0.094 74.427, 0.414, 10.279, -31.2, 25.2s ID 1672-286: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.648, -3.474, 0.044, 0.070 ID 1673-291: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.728, -3.439, 0.045, 0.234 ID 1674-292: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.652, -3.467, 0.059, 0.075 ID 1675-293: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.671, -3.640, 0.040, 0.074 ID 1676-294: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.694, -3.490, 0.041, 0.083 ID 1677-295: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.713, -3.130, 0.068, 0.077 ID 1678-296: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.800, -2.833, 0.059, 0.079 81.700, 0.294, 12.385, -34.7, 13.3s ID 1679-297: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.728, -3.508, 0.055, 0.406 ID 1680-299: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.751, -3.067, 0.071, 0.205 ID 1681-300: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.581, -3.498, 0.055, 0.192 ID 1682-302: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.789, -2.754, 0.079, 0.085 93.588, 0.074, 16.252, -40.6, 56.2s ID 1683-303: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.859, -3.292, 0.059, 0.095 76.121, 0.388, 10.752, -32.0, 6.2s ID 1684-304: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.751, -3.502, 0.058, 0.050 ID 1685-305: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.728, -3.567, 0.039, 0.095 ID 1686-306: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.642, -3.094, 0.046, 0.071 ID 1687-307: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.737, -2.852, 0.072, 0.307 ID 1688-308: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.633, -3.640, 0.055, 0.245 ID 1689-309: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.645, -3.607, 0.044, 0.125 ID 1690-311: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.896, -3.057, 0.046, 0.256 71.052, 0.466, 9.367, -29.6, 14.8s ID 1691-316: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.676, -3.267, 0.037, 0.091 ID 1692-317: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.558, -3.524, 0.037, 0.058 ID 1693-318: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.542, -3.542, 0.065, 0.155 ID 1694-320: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.707, -3.563, 0.045, 0.097 Refinement failed; continuing search without refined metrics. ID 1695-321: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.841, -3.554, 0.053, 0.062 [refine-failed] ID 1696-323: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.746, -3.351, 0.027, 0.255 ID 1697-325: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.687, -3.051, 0.047, 0.177 ID 1698-326: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.717, -3.143, 0.051, 0.117 ID 1699-328: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.680, -3.264, 0.074, 0.313 ID 1700-329: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.522, -3.472, 0.051, 0.078 ID 1701-330: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.739, -3.256, 0.042, 0.071 ID 1702-331: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.789, -3.276, 0.041, 0.271 79.739, 0.328, 11.798, -33.8, 16.1s ID 1703-333: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.519, -3.348, 0.037, 0.081 ID 1704-335: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.757, -3.502, 0.049, 0.080 ID 1705-337: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.658, -3.287, 0.043, 0.072 ID 1706-339: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.886, -3.098, 0.055, 0.084 64.207, 0.564, 7.650, -26.4, 7.0s ID 1707-342: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.555, -3.483, 0.048, 0.078 ID 1708-343: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.691, -3.069, 0.075, 0.302 ID 1709-346: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.499, -3.367, 0.033, 0.068 ID 1710-347: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.691, -3.115, 0.062, 0.104 ID 1711-348: * 22 12 12 C2/m 4.82 4i 4i 4e 2a 4i 4i , vol=621.0 ų 0.714, -3.523, 0.043, 0.099 Reached max relaxation (1500); stopping further generation. Reached maximum structure limit and Stop further generation. Timing breakdown: 1) SPG + cell inference: 5m 11.5s 2) Structure inference: 16h 46m 39.6s Total: 16h 51m 51.1s No acceptance; return best result in spg=8 Best inferred-SG score observed: -23.2458