Back to search page
Cr2F5_15
Solved Structure
If the GUI button does not open remotely, use the 3D view above or download the structure.
Energy-R2 Fit
Open PNGRun Summary
FormulaCr2F5
Crystal Systemmonoclinic
Input SG15
Solved SG15
R20.998
Chi20.0398
Rwp/Wr4.2528
Statusaccepted
Valid Structures452
Candidates6
Total Time4h 27m 25.8s
Search Details
Phase 1 SGs34
Phase 2 Pairs2
Refined Structures342
Refine Failures31
Reached maximum structure limit and Stop further generation.
Log Preview
ID 368-31: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.926, -6.076, 0.017, 0.405 4.281, 0.998, 0.040, -0.2, 9.1s ID 369-32: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.003, 0.077 4.253, 0.998, 0.040, -0.2, 9.9s ID 370-33: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.000, 0.092 4.253, 0.998, 0.040, -0.2, 8.2s ID 371-34: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.924, -6.147, 0.029, 0.077 4.254, 0.998, 0.040, -0.2, 8.8s ID 372-35: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.927, -6.087, 0.010, 0.441 4.253, 0.998, 0.040, -0.2, 9.0s ID 373-37: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.001, 0.063 4.253, 0.998, 0.040, -0.2, 8.0s ID 374-39: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.944, -6.165, 0.005, 0.060 4.253, 0.998, 0.040, -0.2, 7.5s ID 375-40: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.003, 0.081 4.253, 0.998, 0.040, -0.2, 7.8s ID 376-42: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.002, 0.093 4.253, 0.998, 0.040, -0.2, 8.1s ID 377-46: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.165, 0.004, 0.082 4.253, 0.998, 0.040, -0.2, 8.6s ID 378-47: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.944, -6.165, 0.007, 0.093 4.253, 0.998, 0.040, -0.2, 8.8s ID 379-48: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.001, 0.095 4.253, 0.998, 0.040, -0.2, 9.4s ID 380-49: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.166, 0.003, 0.054 4.253, 0.998, 0.040, -0.2, 7.7s ID 381-50: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.094 4.253, 0.998, 0.040, -0.2, 7.4s ID 382-51: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.166, 0.003, 0.088 4.253, 0.998, 0.040, -0.2, 7.6s ID 383-53: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.000, 0.069 4.253, 0.998, 0.040, -0.2, 8.4s ID 384-54: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.165, 0.001, 0.077 4.253, 0.998, 0.040, -0.2, 7.7s ID 385-56: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.002, 0.097 4.253, 0.998, 0.040, -0.2, 8.4s ID 386-58: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.166, 0.005, 0.096 4.253, 0.998, 0.040, -0.2, 7.6s ID 387-61: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.005, 0.073 4.253, 0.998, 0.040, -0.2, 8.0s ID 388-62: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.002, 0.070 4.253, 0.998, 0.040, -0.2, 7.8s ID 389-65: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.001, 0.099 4.253, 0.998, 0.040, -0.2, 17.6s ID 390-66: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.075 4.253, 0.998, 0.040, -0.2, 7.8s ID 391-67: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.944, -6.165, 0.005, 0.082 4.253, 0.998, 0.040, -0.2, 7.5s ID 392-68: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.938, -6.165, 0.007, 0.086 4.253, 0.998, 0.040, -0.2, 7.8s [best-energy-ok] ID 393-69: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.926, -6.087, 0.008, 0.456 4.253, 0.998, 0.040, -0.2, 8.0s ID 394-70: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.937, -6.165, 0.007, 0.077 4.253, 0.998, 0.040, -0.2, 7.9s ID 395-71: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.002, 0.088 4.253, 0.998, 0.040, -0.2, 7.6s ID 396-74: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.002, 0.059 4.253, 0.998, 0.040, -0.2, 7.7s ID 397-75: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.166, 0.005, 0.058 4.253, 0.998, 0.040, -0.2, 7.6s ID 398-76: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.004, 0.077 4.253, 0.998, 0.040, -0.2, 7.0s ID 399-77: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.000, 0.092 4.253, 0.998, 0.040, -0.2, 7.8s ID 400-79: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.000, 0.089 4.253, 0.998, 0.040, -0.2, 7.7s ID 401-81: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.927, -6.091, 0.007, 0.466 4.253, 0.998, 0.040, -0.2, 7.0s ID 402-83: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.000, 0.077 4.253, 0.998, 0.040, -0.2, 8.1s ID 403-84: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.165, 0.004, 0.098 4.253, 0.998, 0.040, -0.2, 7.9s ID 404-87: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.923, -6.146, 0.032, 0.055 10.107, 0.988, 0.225, -2.6, 10.8s ID 405-89: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.165, 0.002, 0.087 4.253, 0.998, 0.040, -0.2, 7.9s ID 406-90: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.937, -6.164, 0.007, 0.081 4.253, 0.998, 0.040, -0.2, 8.2s ID 407-93: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.165, 0.005, 0.082 4.253, 0.998, 0.040, -0.2, 8.1s ID 408-94: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.165, 0.004, 0.076 4.253, 0.998, 0.040, -0.2, 7.7s ID 409-95: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.944, -6.165, 0.007, 0.080 4.253, 0.998, 0.040, -0.2, 6.9s ID 410-96: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.933, -6.090, 0.018, 0.455 4.253, 0.998, 0.040, -0.2, 8.1s ID 411-98: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.944, -6.164, 0.005, 0.273 4.253, 0.998, 0.040, -0.2, 8.4s ID 412-100: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.166, 0.004, 0.068 4.253, 0.998, 0.040, -0.2, 7.6s ID 413-101: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.000, 0.060 4.253, 0.998, 0.040, -0.2, 7.6s ID 414-102: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.923, -6.146, 0.032, 0.074 10.133, 0.988, 0.226, -2.6, 9.7s ID 415-103: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.082 4.253, 0.998, 0.040, -0.2, 7.4s ID 416-104: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.000, 0.076 4.253, 0.998, 0.040, -0.2, 7.8s ID 417-105: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.166, 0.005, 0.066 4.253, 0.998, 0.040, -0.2, 7.7s ID 418-106: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.005, 0.097 4.253, 0.998, 0.040, -0.2, 7.1s ID 419-107: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.061 4.253, 0.998, 0.040, -0.2, 16.0s ID 420-109: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.000, 0.091 4.253, 0.998, 0.040, -0.2, 7.2s ID 421-110: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.002, 0.066 4.253, 0.998, 0.040, -0.2, 7.8s ID 422-111: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.165, 0.002, 0.086 4.253, 0.998, 0.040, -0.2, 7.7s ID 423-114: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.166, 0.005, 0.100 4.253, 0.998, 0.040, -0.2, 7.0s ID 424-115: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.927, -6.093, 0.005, 0.499 4.253, 0.998, 0.040, -0.2, 7.9s ID 425-116: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.166, 0.002, 0.074 4.253, 0.998, 0.040, -0.2, 8.1s ID 426-118: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.000, 0.079 4.253, 0.998, 0.040, -0.2, 7.7s ID 427-119: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.004, 0.096 4.253, 0.998, 0.040, -0.2, 8.3s ID 428-122: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.165, 0.001, 0.084 4.253, 0.998, 0.040, -0.2, 8.5s ID 429-123: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.081 4.253, 0.998, 0.040, -0.2, 7.4s ID 430-125: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.071 4.253, 0.998, 0.040, -0.2, 7.6s ID 431-128: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.000, 0.037 4.253, 0.998, 0.040, -0.2, 7.8s ID 432-130: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.165, 0.003, 0.070 4.253, 0.998, 0.040, -0.2, 8.0s ID 433-131: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.076 4.253, 0.998, 0.040, -0.2, 7.6s ID 434-133: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.001, 0.067 4.253, 0.998, 0.040, -0.2, 8.1s ID 435-134: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.923, -6.146, 0.033, 0.060 10.584, 0.987, 0.246, -2.8, 10.0s ID 436-135: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.001, 0.098 4.253, 0.998, 0.040, -0.2, 8.1s ID 437-136: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.003, 0.091 4.253, 0.998, 0.040, -0.2, 7.3s ID 438-137: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.166, 0.001, 0.077 4.253, 0.998, 0.040, -0.2, 7.7s ID 439-138: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.946, -6.161, 0.011, 0.173 4.253, 0.998, 0.040, -0.2, 8.4s ID 440-139: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.940, -6.165, 0.003, 0.083 4.253, 0.998, 0.040, -0.2, 7.3s ID 441-140: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.166, 0.005, 0.070 4.253, 0.998, 0.040, -0.2, 7.7s ID 442-141: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.944, -6.165, 0.007, 0.074 4.253, 0.998, 0.040, -0.2, 7.6s ID 443-142: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.944, -6.166, 0.004, 0.091 4.253, 0.998, 0.040, -0.2, 8.1s ID 444-144: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.077 4.253, 0.998, 0.040, -0.2, 7.9s ID 445-145: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.001, 0.071 4.253, 0.998, 0.040, -0.2, 8.0s ID 446-146: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.827, -5.702, 0.045, 0.088 50.926, 0.707, 5.701, -20.5, 6.5s ID 447-147: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.939, -6.165, 0.005, 0.083 4.253, 0.998, 0.040, -0.2, 7.9s ID 448-148: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.945, -6.157, 0.012, 0.227 4.253, 0.998, 0.040, -0.2, 7.3s ID 449-149: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.001, 0.091 4.253, 0.998, 0.040, -0.2, 14.4s ID 450-151: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.943, -6.166, 0.003, 0.071 4.253, 0.998, 0.040, -0.2, 7.3s ID 451-152: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.942, -6.166, 0.001, 0.096 4.253, 0.998, 0.040, -0.2, 7.3s ID 452-154: * 28 11 15 C2/c 3.44 4d 4c 8f 8f 4e , vol=383.8 ų 0.941, -6.166, 0.001, 0.070 4.253, 0.998, 0.040, -0.2, 7.0s Metrics: Wr=4.2528, R2=0.9980, Chi2=0.0398, score=-0.2121, accepted=True, E=-6.1648, dE=0.0013 Early stop: excellent solution found. Final refinement results: Wr=4.2528, R2=0.9980, Chi2=0.0398 Best structure saved to 0518/cifs/Match_Cr2F5_15.cif Accepted solution: spg=15, Wr=4.2528, R2=0.9980, Chi2=0.0398, score=-0.2121, E=-6.1648, dE=0.0013, Good fit found early: spg=15, R2=0.9980, Chi2=0.0398, dE_global=0.0013. Stopping search after pair 1/2 and 4 WP candidate(s). Reached maximum structure limit and Stop further generation. Timing breakdown: 1) SPG + cell inference: 15m 56.3s 2) Structure inference: 4h 11m 29.5s Total: 4h 27m 25.8s Best solution: spg=15, Wr=4.2528, R2=0.9980, Chi2=0.0398, score=-0.2121, E=-6.1648, dE=0.0013, Return best result in spg=15. Best inferred-SG score observed: -0.2121