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Rb_15

Solved Structure

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Energy-R2 Fit

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Run Summary

FormulaRb
Crystal Systemmonoclinic
Input SG15
Solved SG6
R20.0155
Chi218.9877
Rwp/Wr96.978
Statusbest_result
Valid Structures1332
Candidates39
Total Timen/a
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Search Details

Phase 1 SGs34
Phase 2 Pairs38
Refined Structures518
Refine Failures800
Log Preview

  Refinement failed; continuing search without refined metrics.
ID 1274-122: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.407, -0.776, 0.004, 0.066 [refine-failed]
ID 1275-123: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.525, -0.779, 0.003, 0.064 96.240,  0.030, 18.700, -42.2, 56.8s
  Refinement failed; continuing search without refined metrics.
ID 1276-125: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.490, -0.786, 0.004, 0.077 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1277-126: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.518, -0.752, 0.005, 0.079 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1278-128: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.473, -0.765, 0.006, 0.095 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1279-131: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.464, -0.784, 0.004, 0.081 [refine-failed]
ID 1280-132: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.393, -0.770, 0.005, 0.071 97.050,  0.014, 19.016, -42.6, 46.4s
  Refinement failed; continuing search without refined metrics.
ID 1281-133: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.545, -0.782, 0.003, 0.075 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1282-134: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.575, -0.777, 0.004, 0.064 [refine-failed]
ID 1283-135: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.459, -0.784, 0.003, 0.072 96.979,  0.016, 18.988, -42.6, 39.7s
ID 1284-136: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.437, -0.772, 0.004, 0.088 97.005,  0.015, 18.998, -42.6, 29.5s
  Refinement failed; continuing search without refined metrics.
ID 1285-137: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.425, -0.784, 0.003, 0.098 [refine-failed]
ID 1286-138: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.431, -0.780, 0.004, 0.086 97.358,  0.008, 19.137, -42.8, 30.9s
  Refinement failed; continuing search without refined metrics.
ID 1287-139: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.569, -0.779, 0.004, 0.080 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1288-140: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.445, -0.789, 0.003, 0.087 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1289-141: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.520, -0.780, 0.004, 0.079 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1290-142: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.486, -0.780, 0.003, 0.093 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1291-143: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.423, -0.793, 0.003, 0.083 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1292-144: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.420, -0.792, 0.003, 0.069 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1293-145: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.643, -0.787, 0.003, 0.087 [refine-failed]
ID 1294-146: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.659, -0.784, 0.002, 0.068 86.902,  0.209, 15.247, -37.5, 35.9s
  Refinement failed; continuing search without refined metrics.
ID 1295-147: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.549, -0.768, 0.003, 0.052 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1296-148: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.458, -0.772, 0.003, 0.044 [refine-failed]
ID 1297-149: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.467, -0.763, 0.004, 0.076 96.290,  0.029, 18.719, -42.2, 35.2s
  Refinement failed; continuing search without refined metrics.
ID 1298-150: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.561, -0.766, 0.004, 0.083 [refine-failed]
ID 1299-151: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.324, -0.777, 0.003, 0.088 96.978,  0.016, 18.988, -42.6, 16.8s
ID 1300-152: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.472, -0.790, 0.003, 0.076 97.048,  0.014, 19.015, -42.6, 22.9s
  Refinement failed; continuing search without refined metrics.
ID 1301-153: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.562, -0.776, 0.004, 0.088 [refine-failed]
ID 1302-154: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.458, -0.787, 0.003, 0.096 97.089,  0.013, 19.031, -42.6, 28.4s
ID 1303-156: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.453, -0.794, 0.004, 0.082 97.075,  0.014, 19.026, -42.6, 10.5s
  Refinement failed; continuing search without refined metrics.
ID 1304-157: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.360, -0.770, 0.004, 0.094 [refine-failed]
ID 1305-158: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.422, -0.772, 0.004, 0.074 96.982,  0.015, 18.989, -42.6, 36.9s
  Refinement failed; continuing search without refined metrics.
ID 1306-160: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.489, -0.762, 0.004, 0.097 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1307-161: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.599, -0.791, 0.003, 0.093 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1308-163: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.655, -0.769, 0.004, 0.074 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1309-164: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.538, -0.772, 0.004, 0.046 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1310-167: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.510, -0.760, 0.004, 0.085 [refine-failed]
ID 1311-168: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.433, -0.772, 0.003, 0.063 97.073,  0.014, 19.025, -42.6, 40.5s
  Refinement failed; continuing search without refined metrics.
ID 1312-169: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.633, -0.767, 0.004, 0.094 [refine-failed]
ID 1313-170: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.560, -0.755, 0.005, 0.079 94.570,  0.064, 18.057, -41.3, 31.0s
  Refinement failed; continuing search without refined metrics.
ID 1314-171: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.484, -0.786, 0.003, 0.088 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1315-172: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.493, -0.777, 0.004, 0.075 [refine-failed]
ID 1316-174: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.508, -0.767, 0.005, 0.074 96.982,  0.015, 18.989, -42.6, 38.3s
ID 1317-175: * 10  19    4 P21            1.38 2a 2a 2a 2a 2a ,  vol=1029.4 Å³ 0.415, -0.780, 0.003, 0.058 97.008,  0.015, 18.999, -42.6, 23.5s

[Pair 26/38] vol=1053.0 Å³, spg=4, dims=  13.639    22.271     4.177    56.090: 1 WP choices.
WP #1: spg=4, count=1, dof=15, n_wps=5, wyckoff=[['2a', '2a', '2a', '2a', '2a']]
  Refinement failed; continuing search without refined metrics.
ID 1318-1: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.649, -0.777, 0.004, 0.074 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1319-2: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.556, -0.812, 0.003, 0.077 [refine-failed]
ID 1320-3: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.562, -0.801, 0.004, 0.065 97.207,  0.011, 19.077, -42.7, 41.3s
  Refinement failed; continuing search without refined metrics.
ID 1321-4: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.565, -0.792, 0.004, 0.081 [refine-failed]
ID 1322-5: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.504, -0.793, 0.002, 0.078 96.992,  0.015, 18.993, -42.6, 24.2s
  Refinement failed; continuing search without refined metrics.
ID 1323-6: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.553, -0.807, 0.004, 0.063 [refine-failed]
ID 1324-7: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.577, -0.788, 0.004, 0.088 97.267,  0.010, 19.101, -42.7, 31.7s
  Refinement failed; continuing search without refined metrics.
ID 1325-8: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.692, -0.798, 0.003, 0.057 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1326-10: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.450, -0.796, 0.004, 0.067 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1327-11: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.536, -0.779, 0.004, 0.049 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1328-12: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.512, -0.792, 0.003, 0.087 [refine-failed]
  Refinement failed; continuing search without refined metrics.
ID 1329-13: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.568, -0.821, 0.003, 0.062 [refine-failed]
ID 1330-14: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.517, -0.792, 0.003, 0.080 96.964,  0.016, 18.982, -42.6, 42.0s
  Refinement failed; continuing search without refined metrics.
ID 1331-16: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.577, -0.762, 0.004, 0.094 [refine-failed]
ID 1332-17: * 10  19    4 P21            1.35 2a 2a 2a 2a 2a ,  vol=1053.0 Å³ 0.512, -0.791, 0.004, 0.091 96.703,  0.021, 18.880, -42.4, 42.0s