Back to search page
TbTe3_63
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
FormulaTbTe3
Crystal Systemorthorhombic
Input SG63
Solved SG36
R20.9985
Chi20.0215
Rwp/Wr3.8409
Statusaccepted
Valid Structures369
Candidates901
Total Time1h 35m 37.7s
Search Details
Phase 1 SGs84
Phase 2 Pairs566
Refined Structures153
Refine Failures1
Reached maximum structure limit and Stop further generation.
Log Preview
ID 285-28: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.482, -3.661, 0.095, 0.082 ID 286-30: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.670, -3.933, 0.063, 0.093 ID 287-31: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.772, -3.620, 0.036, 0.094 ID 288-32: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.585, -3.828, 0.076, 0.083 ID 289-33: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.490, -1.354, 0.244, 0.095 ID 290-34: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.760, -3.626, 0.035, 0.070 ID 291-35: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.668, -3.938, 0.062, 0.087 ID 292-36: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.665, -3.927, 0.064, 0.088 ID 293-37: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.731, -4.246, 0.000, 0.080 88.641, 0.181, 11.436, -37.5, 22.8s ID 294-38: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.943, -4.303, 0.011, 0.082 22.102, 0.949, 0.711, -7.6, 4.3s ID 295-39: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.663, -2.536, 0.159, 0.054 ID 296-41: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.944, -4.303, 0.011, 0.066 21.604, 0.951, 0.679, -7.4, 4.6s ID 297-42: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.718, -4.121, 0.016, 0.082 79.508, 0.341, 9.201, -33.1, 1.8s ID 298-43: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.988, -4.454, 0.002, 0.089 4.221, 0.998, 0.026, -0.2, 3.3s ID 299-44: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.988, -4.454, 0.002, 0.074 4.227, 0.998, 0.026, -0.2, 2.9s ID 300-45: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.688, -3.602, 0.052, 0.077 ID 301-46: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.988, -4.453, 0.002, 0.086 3.850, 0.998, 0.022, -0.0, 3.0s ID 302-47: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.753, -3.608, 0.039, 0.096 ID 303-48: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.778, -3.620, 0.037, 0.096 ID 304-49: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.842, -4.064, 0.020, 0.082 69.563, 0.496, 7.043, -28.5, 3.6s ID 305-50: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.908, -4.291, 0.011, 0.057 18.834, 0.963, 0.516, -6.2, 3.7s ID 306-51: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.624, -4.237, 0.012, 0.084 ID 307-52: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.988, -4.454, 0.002, 0.062 3.851, 0.998, 0.022, -0.0, 3.1s ID 308-55: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.597, -4.204, 0.028, 0.068 ID 309-56: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.637, -4.238, 0.009, 0.072 ID 310-57: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.647, -3.245, 0.076, 0.086 ID 311-58: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.906, -4.291, 0.012, 0.058 51.377, 0.725, 3.842, -20.2, 2.7s ID 312-59: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.573, -3.677, 0.045, 0.078 ID 313-60: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.690, -3.412, 0.147, 0.096 ID 314-61: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.984, -4.454, 0.005, 0.090 4.223, 0.998, 0.026, -0.2, 2.5s ID 315-62: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.686, -4.110, 0.004, 0.075 ID 316-63: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.658, -4.191, 0.033, 0.096 ID 317-64: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.663, -4.119, 0.017, 0.092 ID 318-66: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.782, -3.625, 0.037, 0.081 62.324, 0.595, 5.654, -25.2, 1.7s ID 319-67: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.987, -4.454, 0.003, 0.091 3.849, 0.998, 0.022, -0.0, 3.1s ID 320-68: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.482, -3.661, 0.095, 0.078 ID 321-69: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.706, -4.120, 0.016, 0.085 79.689, 0.338, 9.243, -33.2, 2.0s ID 322-70: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.988, -4.453, 0.001, 0.087 3.850, 0.998, 0.022, -0.0, 3.5s ID 323-72: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.658, -3.972, 0.059, 0.075 ID 324-73: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.657, -3.125, 0.072, 0.076 ID 325-74: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.923, -4.007, 0.032, 0.087 55.965, 0.674, 4.559, -22.3, 2.2s ID 326-75: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.987, -4.454, 0.002, 0.077 3.851, 0.998, 0.022, -0.0, 3.3s ID 327-76: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.645, -4.239, 0.008, 0.091 ID 328-77: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.512, -3.306, 0.099, 0.084 ID 329-79: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.700, -4.066, 0.023, 0.081 77.825, 0.369, 8.816, -32.3, 2.6s ID 330-80: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.709, -4.121, 0.015, 0.080 79.598, 0.340, 9.222, -33.2, 1.9s ID 331-81: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.893, -4.068, 0.023, 0.076 4.895, 0.998, 0.035, -0.5, 10.3s ID 332-82: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.827, -4.118, 0.012, 0.091 65.197, 0.557, 6.187, -26.5, 2.6s ID 333-83: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.595, -2.861, 0.121, 0.091 ID 334-84: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.873, -3.693, 0.051, 0.095 56.213, 0.671, 4.599, -22.4, 5.8s ID 335-85: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.704, -4.072, 0.014, 0.077 81.448, 0.309, 9.655, -34.0, 6.5s ID 336-86: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.656, -3.973, 0.059, 0.064 ID 337-87: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.752, -4.178, 0.027, 0.084 74.368, 0.424, 8.050, -30.7, 2.0s ID 338-88: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.616, -3.897, 0.050, 0.079 ID 339-89: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.696, -4.114, 0.010, 0.072 ID 340-90: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.650, -4.193, 0.033, 0.071 ID 341-91: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.674, -3.939, 0.060, 0.095 ID 342-92: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.659, -3.973, 0.059, 0.085 ID 343-93: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.648, -3.893, 0.052, 0.075 ID 344-94: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.652, -4.239, 0.007, 0.070 ID 345-95: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.581, -3.828, 0.076, 0.076 ID 346-96: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.882, -4.096, 0.017, 0.096 52.525, 0.713, 4.016, -20.7, 2.9s ID 347-97: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.648, -3.246, 0.075, 0.035 ID 348-98: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.774, -3.621, 0.036, 0.091 ID 349-99: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.887, -3.693, 0.051, 0.073 54.478, 0.691, 4.320, -21.6, 21.4s ID 350-100: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.734, -3.877, 0.055, 0.075 ID 351-101: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.666, -3.940, 0.062, 0.084 ID 352-102: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.697, -4.120, 0.017, 0.072 ID 353-103: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.579, -3.827, 0.076, 0.096 ID 354-104: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.815, -4.228, 0.019, 0.098 66.313, 0.542, 6.401, -27.0, 1.6s ID 355-105: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.674, -4.195, 0.033, 0.093 ID 356-106: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.509, -2.988, 0.101, 0.085 ID 357-107: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.914, -4.291, 0.012, 0.074 18.820, 0.963, 0.516, -6.2, 8.6s ID 358-108: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.677, -4.195, 0.035, 0.087 ID 359-109: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.774, -4.205, 0.022, 0.167 71.522, 0.467, 7.445, -29.4, 8.7s ID 360-110: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.715, -3.882, 0.053, 0.091 ID 361-111: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.657, -3.973, 0.059, 0.074 ID 362-112: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.648, -4.119, 0.017, 0.092 ID 363-113: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.768, -3.623, 0.036, 0.077 ID 364-114: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.882, -4.097, 0.020, 0.096 52.945, 0.708, 4.080, -20.9, 2.9s ID 365-115: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.650, -4.121, 0.054, 0.073 ID 366-117: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.600, -4.202, 0.027, 0.092 ID 367-118: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.800, -4.178, 0.016, 0.099 72.689, 0.449, 7.691, -29.9, 1.5s ID 368-119: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.655, -1.091, 0.292, 0.088 ID 369-120: * 16 11 36 Cmc21 7.27 4a 4a 4a 4a , vol=494.7 ų 0.815, -4.188, 0.026, 0.059 74.273, 0.425, 8.029, -30.7, 1.6s Metrics: Wr=3.8409, R2=0.9985, Chi2=0.0215, score=-0.0429, accepted=True, E=-4.4538, dE=0.0007 Early stop: excellent solution found. Final refinement results: Wr=3.8409, R2=0.9985, Chi2=0.0215 Best structure saved to 0510/cifs/Match_TbTe3_36.cif Accepted solution: spg=36, Wr=3.8409, R2=0.9985, Chi2=0.0215, score=-0.0429, E=-4.4538, dE=0.0007, Good fit found early: spg=36, R2=0.9985, Chi2=0.0215, dE_global=0.0007. Stopping search after pair 16/566 and 1 WP candidate(s). Reached maximum structure limit and Stop further generation. Timing breakdown: 1) SPG + cell inference: 9m 49.8s 2) Structure inference: 1h 25m 47.9s Total: 1h 35m 37.7s Best solution: spg=36, Wr=3.8409, R2=0.9985, Chi2=0.0215, score=-0.0429, E=-4.4538, dE=0.0007, Return best result in spg=36. Best inferred-SG score observed: -0.0429