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Br4Gd3LaO4_38
Solved Structure
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Energy-R2 Fit
Open PNGRun Summary
FormulaBr4Gd3LaO4
Crystal Systemorthorhombic
Input SG38
Solved SG31
R20.7263
Chi23.112
Rwp/Wr51.7362
Statusbest_result
Valid Structures1414
Candidates155
Total Time11h 12m 17.7s
Search Details
Phase 1 SGs160
Phase 2 Pairs42
Refined Structures70
Refine Failures6
Reached maximum structure limit and Stop further generation.
Log Preview
ID 1324-7: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.594, -7.801, 0.008, 0.096 ID 1325-8: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.642, -7.328, 0.024, 0.066 ID 1326-12: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.798, -7.850, 0.022, 0.095 50.894, 0.735, 3.012, -19.9, 34.0s ID 1327-15: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.595, -7.552, 0.033, 0.085 ID 1328-19: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.425, -6.762, 0.008, 0.145 ID 1329-24: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.519, -6.329, 0.005, 0.098 ID 1330-25: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.686, -7.421, 0.005, 0.097 ID 1331-26: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.498, -7.264, 0.019, 0.088 ID 1332-28: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.650, -8.328, 0.005, 0.092 ID 1333-38: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.705, -8.213, 0.004, 0.074 ID 1334-40: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.558, -8.636, 0.001, 0.171 ID 1335-44: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.518, -7.510, 0.021, 0.097 ID 1336-45: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.738, -7.963, 0.002, 0.053 ID 1337-50: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.504, -7.893, 0.006, 0.090 ID 1338-63: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.755, -7.332, 0.004, 0.079 ID 1339-67: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.799, -7.733, 0.019, 0.080 64.545, 0.574, 4.844, -25.9, 14.9s ID 1340-68: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.644, -7.882, 0.007, 0.076 ID 1341-76: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.402, -6.837, 0.013, 0.238 ID 1342-77: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.545, -7.478, 0.048, 0.205 ID 1343-78: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.591, -8.012, 0.012, 0.066 ID 1344-81: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.551, -7.096, 0.021, 0.087 ID 1345-96: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.805, -8.532, 0.003, 0.082 66.173, 0.552, 5.091, -26.7, 12.6s ID 1346-102: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.663, -8.038, 0.018, 0.100 ID 1347-106: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.646, -7.641, 0.043, 0.078 ID 1348-115: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.815, -7.307, 0.010, 0.096 61.963, 0.607, 4.464, -24.8, 20.5s ID 1349-117: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.819, -7.805, 0.010, 0.086 68.590, 0.519, 5.470, -27.8, 2.0s ID 1350-118: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.564, -7.688, 0.010, 0.095 ID 1351-120: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.585, -6.501, 0.007, 0.094 ID 1352-126: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.664, -6.564, 0.004, 0.088 ID 1353-127: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.514, -8.014, 0.010, 0.095 ID 1354-130: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.539, -6.543, 0.000, 0.078 ID 1355-131: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.630, -7.986, 0.009, 0.053 ID 1356-143: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.483, -7.206, 0.010, 0.092 ID 1357-145: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.542, -7.125, 0.010, 0.100 ID 1358-148: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.792, -7.633, 0.005, 0.099 67.735, 0.531, 5.334, -27.4, 18.9s ID 1359-160: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.665, -6.389, 0.002, 0.076 ID 1360-163: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.615, -8.205, 0.006, 0.080 ID 1361-164: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.580, -6.772, 0.007, 0.052 ID 1362-167: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.638, -7.185, 0.009, 0.094 ID 1363-168: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.455, -7.190, 0.010, 0.080 ID 1364-170: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.696, -6.964, 0.021, 0.091 ID 1365-171: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.424, -6.945, 0.003, 0.093 ID 1366-178: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.467, -7.669, 0.038, 0.079 ID 1367-181: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.712, -8.327, 0.021, 0.083 ID 1368-184: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.466, -7.690, 0.031, 0.093 ID 1369-189: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.489, -6.840, 0.006, 0.070 ID 1370-191: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.450, -7.649, 0.002, 0.091 ID 1371-200: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.522, -7.953, 0.001, 0.100 ID 1372-201: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.554, -7.592, 0.009, 0.094 ID 1373-206: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.580, -7.742, 0.020, 0.090 ID 1374-207: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.559, -6.648, 0.001, 0.097 ID 1375-209: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.619, -8.227, 0.027, 0.079 ID 1376-213: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.701, -2.734, 0.226, 0.073 ID 1377-223: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.449, -7.059, 0.008, 0.096 ID 1378-224: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.618, -6.711, 0.008, 0.067 ID 1379-236: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.598, -8.076, 0.003, 0.071 ID 1380-238: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.502, -6.842, 0.014, 0.069 ID 1381-245: * 12 12 99 P4mm 4.14 1b 1b 1a 1a 1b 1a 1a 1b 2c 2c , vol=398.7 ų 0.535, -8.166, 0.021, 0.169 WP #3: spg=99, count=1, dof=7, n_wps=5, wyckoff=[['4d'], ['2c', '1b'], ['1a'], ['4d']] ID 1382-3: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.370, -4.239, 0.025, 0.046 ID 1383-8: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.536, -5.465, 0.028, 0.149 ID 1384-11: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.419, -4.748, 0.063, 0.432 ID 1385-13: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.494, -5.444, 0.050, 0.082 ID 1386-17: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.267, -4.239, 0.025, 0.046 ID 1387-19: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.313, -4.476, 0.044, 0.222 ID 1388-29: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.354, -4.476, 0.056, 0.096 ID 1389-32: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.383, -6.043, 0.047, 0.046 ID 1390-35: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.420, -6.351, 0.034, 0.092 ID 1391-39: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.451, -6.011, 0.031, 0.169 ID 1392-43: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.479, -5.924, 0.016, 0.092 ID 1393-47: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.491, -5.976, 0.049, 0.139 ID 1394-48: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.428, -6.423, 0.042, 0.167 ID 1395-55: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.326, -5.706, 0.047, 0.086 ID 1396-63: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.432, -5.942, 0.003, 0.099 ID 1397-65: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.487, -5.830, 0.033, 0.089 ID 1398-69: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.499, -5.903, 0.039, 0.094 ID 1399-71: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.295, -5.982, 0.047, 0.039 ID 1400-75: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.396, -6.077, 0.047, 0.098 ID 1401-76: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.298, -4.486, 0.040, 0.296 ID 1402-81: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.373, -5.989, 0.012, 0.353 ID 1403-87: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.433, -6.109, 0.025, 0.130 ID 1404-88: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.446, -5.645, 0.053, 0.114 ID 1405-89: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.398, -6.035, 0.051, 0.181 ID 1406-91: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.310, -5.129, 0.047, 0.220 ID 1407-99: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.336, -4.912, 0.056, 0.059 ID 1408-101: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.393, -5.121, 0.047, 0.166 ID 1409-104: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.464, -5.417, 0.044, 0.452 ID 1410-108: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.487, -6.022, 0.031, 0.166 ID 1411-111: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.425, -5.655, 0.055, 0.125 ID 1412-112: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.401, -6.049, 0.047, 0.202 ID 1413-120: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.425, -5.714, 0.047, 0.076 ID 1414-127: * 12 9 99 P4mm 4.14 4d 2c 1b 1a 4d , vol=398.7 ų 0.477, -5.595, 0.050, 0.226 Reached max attempt (10000); stopping further generation. Reached maximum structure limit and Stop further generation. Timing breakdown: 1) SPG + cell inference: 9m 02.3s 2) Structure inference: 11h 3m 15.4s Total: 11h 12m 17.7s No acceptance; return best result in spg=115 Best inferred-SG score observed: -6.5473