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As6CrFe2_10

Solved Structure

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Energy-R2 Fit

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Run Summary

FormulaAs6CrFe2
Crystal Systemmonoclinic
Input SG10
Solved SG25
R20.4353
Chi215.1754
Rwp/Wr73.6436
Statusbest_result
Valid Structures1371
Candidates111
Total Time18h 9m 34.7s
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Search Details

Phase 1 SGs137
Phase 2 Pairs58
Refined Structures170
Refine Failures61
Reached maximum structure limit and Stop further generation.
Log Preview

ID 1284-91: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.518, -5.434, 0.113, 0.086
ID 1285-98: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.642, -5.339, 0.161, 0.096
ID 1286-100: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.688, -5.435, 0.162, 0.088
ID 1287-101: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.691, -5.758, 0.116, 0.077
ID 1288-103: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.666, -5.650, 0.117, 0.093
ID 1289-104: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.717, -5.459, 0.123, 0.051
ID 1290-106: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.711, -5.642, 0.117, 0.093 83.312,  0.277, 19.422, -36.8, 21.7s
ID 1291-107: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.707, -5.754, 0.115, 0.076 96.992,  0.020, 26.323, -44.0, 35.0s
ID 1292-115: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.644, -5.659, 0.121, 0.073
ID 1293-117: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.768, -5.757, 0.108, 0.091 89.106,  0.173, 22.217, -39.8, 9.9s
ID 1294-124: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.506, -5.390, 0.126, 0.072
ID 1295-125: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.744, -5.529, 0.154, 0.086
ID 1296-126: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.723, -5.647, 0.103, 0.065 95.255,  0.055, 25.389, -43.1, 8.9s
ID 1297-128: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.649, -5.645, 0.110, 0.094
ID 1298-130: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.620, -5.520, 0.134, 0.086
ID 1299-133: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.660, -5.561, 0.141, 0.086
ID 1300-138: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.618, -5.431, 0.138, 0.098
ID 1301-139: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.597, -5.479, 0.155, 0.092
ID 1302-142: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.698, -5.623, 0.129, 0.074
ID 1303-143: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.715, -5.495, 0.151, 0.064
ID 1304-145: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.624, -5.600, 0.112, 0.068
ID 1305-151: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.636, -5.529, 0.121, 0.087
ID 1306-154: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.690, -5.513, 0.151, 0.077
  Refinement failed; continuing search without refined metrics.
ID 1307-155: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.759, -5.763, 0.103, 0.073 [refine-failed]
ID 1308-157: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.696, -5.577, 0.146, 0.087
ID 1309-161: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.656, -5.569, 0.130, 0.087
ID 1310-162: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.662, -5.486, 0.150, 0.069
ID 1311-163: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.693, -5.501, 0.160, 0.094
ID 1312-164: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.661, -5.381, 0.161, 0.059
ID 1313-169: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.652, -5.492, 0.154, 0.072
ID 1314-173: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.684, -5.542, 0.167, 0.085
ID 1315-175: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.773, -5.532, 0.125, 0.050
ID 1316-177: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.573, -5.473, 0.126, 0.087
ID 1317-181: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.765, -5.424, 0.157, 0.085
ID 1318-188: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.684, -5.464, 0.165, 0.078
ID 1319-189: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.708, -5.531, 0.137, 0.060
ID 1320-193: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.660, -5.719, 0.113, 0.067
ID 1321-195: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.722, -5.757, 0.116, 0.077 83.995,  0.265, 19.741, -37.1, 25.1s
ID 1322-197: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.626, -5.532, 0.115, 0.071
  Refinement failed; continuing search without refined metrics.
ID 1323-198: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.807, -5.714, 0.098, 0.076 [refine-failed]
ID 1324-199: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.684, -5.471, 0.145, 0.078
  Refinement failed; continuing search without refined metrics.
ID 1325-207: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.732, -5.692, 0.142, 0.082 [refine-failed]
ID 1326-212: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.515, -5.455, 0.133, 0.073
ID 1327-216: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.674, -5.487, 0.132, 0.061
ID 1328-217: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.653, -5.712, 0.118, 0.087
ID 1329-220: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.709, -5.747, 0.114, 0.075 84.703,  0.253, 20.076, -37.5, 22.4s
ID 1330-222: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.652, -5.588, 0.116, 0.091
ID 1331-223: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.672, -5.523, 0.161, 0.091
ID 1332-225: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.700, -5.509, 0.154, 0.096
ID 1333-226: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.703, -5.688, 0.101, 0.066 95.742,  0.046, 25.649, -43.4, 20.9s
ID 1334-228: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.651, -5.680, 0.110, 0.090
ID 1335-230: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.627, -5.533, 0.127, 0.087
ID 1336-231: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.656, -5.562, 0.140, 0.085
ID 1337-236: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.531, -5.336, 0.173, 0.077
ID 1338-238: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.703, -5.555, 0.134, 0.092
ID 1339-240: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.675, -5.564, 0.140, 0.054
ID 1340-251: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.538, -5.505, 0.130, 0.081
ID 1341-252: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.579, -5.323, 0.180, 0.097
ID 1342-253: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.704, -5.519, 0.139, 0.088
ID 1343-254: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.697, -5.668, 0.092, 0.097
ID 1344-255: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.598, -5.497, 0.117, 0.073
ID 1345-257: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.490, -5.637, 0.081, 0.080
ID 1346-259: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.687, -5.448, 0.148, 0.072
ID 1347-261: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.539, -5.299, 0.177, 0.082
ID 1348-262: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.628, -5.607, 0.147, 0.076
ID 1349-263: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.730, -5.491, 0.117, 0.067
ID 1350-264: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.678, -5.689, 0.104, 0.058
ID 1351-266: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.727, -5.600, 0.098, 0.084
ID 1352-269: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.669, -5.682, 0.114, 0.077
ID 1353-270: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.631, -5.464, 0.131, 0.084
  Refinement failed; continuing search without refined metrics.
ID 1354-272: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.731, -5.686, 0.133, 0.100 [refine-failed]
ID 1355-275: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.582, -5.530, 0.122, 0.091
ID 1356-276: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.663, -5.654, 0.134, 0.081
ID 1357-279: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.653, -5.252, 0.171, 0.097
ID 1358-280: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.649, -5.566, 0.137, 0.090
ID 1359-281: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.639, -5.399, 0.168, 0.071
ID 1360-285: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.475, -5.297, 0.155, 0.093
ID 1361-289: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.732, -5.324, 0.167, 0.086
ID 1362-290: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.674, -5.526, 0.116, 0.072
ID 1363-291: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.666, -5.466, 0.145, 0.093
ID 1364-294: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.729, -5.517, 0.151, 0.062
ID 1365-295: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.658, -5.465, 0.162, 0.069
ID 1366-296: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.739, -5.510, 0.128, 0.110
ID 1367-300: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.609, -5.615, 0.101, 0.083
ID 1368-304: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.675, -5.509, 0.145, 0.074
ID 1369-307: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.690, -5.385, 0.150, 0.099
ID 1370-308: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.659, -5.653, 0.115, 0.087
ID 1371-313: * 36  21   58 Pnnm           7.78 4g 4g 4g 4g 4g 4g 4g 4g 4g ,  vol=523.7 Å³ 0.659, -5.390, 0.179, 0.074
Reached max attempt (10000); stopping further generation.
Reached maximum structure limit and Stop further generation.
Timing breakdown:
  1) SPG + cell inference: 18m 42.9s
  2) Structure inference: 17h 50m 51.8s
  Total: 18h 9m 34.7s
No acceptance; return best result in spg=25
Best inferred-SG score observed: -31.8396