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0.322449 O\n0.395866 0.476875 0.446393 O\n0.071004 0.900768 0.845459 O\n0.906673 0.745245 0.216768 O\n0.262939 0.688023 0.000240 O\n0.737061 0.188023 0.999760 O\n0.053405 0.504884 0.606042 O\n0.345165 0.266891 0.700110 O\n0.418123 0.835557 0.177551 O\n0.003282 0.144323 0.986326 O\n0.762939 0.188023 0.499760 O\n0.916718 0.389595 0.495941 O\n0.943357 0.403471 0.845263 O\n0.181100 0.268455 0.883291 O\n0.443357 0.903471 0.654737 O\n0.818900 0.768455 0.116709 O\n0.024574 0.753527 0.418615 O\n0.845165 0.766891 0.799890 O\n0.219933 0.010063 0.036220 O\n0.165366 0.989901 0.924477 O\n0.349469 0.460723 0.549986 O\n0.604134 0.976875 0.553607 O\n0.237061 0.688023 0.500240 O\n0.946595 0.004884 0.393958 O\n0.895866 0.976875 0.053607 O\n0.253321 0.036094 0.675086 O\n0.196525 0.462795 0.695604 O\n0.834634 0.489901 0.075523 O\n0.744395 0.213670 0.630610 O\n0.150531 0.460723 0.049986 O\n0.020735 0.582921 0.820529 O\n0.784161 0.205070 0.816362 O\n0.731117 0.535496 0.161672 O\n0.701127 0.773050 0.998390 O\n0.967491 0.577778 0.491533 O\n0.931345 0.337113 0.666568 O\n0.086998 0.962405 0.245330 O\n0.186327 0.461659 0.335304 O\n0.284161 0.705070 0.683638 O\n0.246679 0.036094 0.175086 O\n0.490118 0.085339 0.359810 O\n0.255605 0.713670 0.369390 O\n0.576806 0.727392 0.399191 O\n0.571004 0.400768 0.654541 O\n0.556643 0.403471 0.345263 O\n0.586998 0.462405 0.254670 O\n0.945331 0.476051 0.410594 O\n0.081877 0.835557 0.677551 O\n0.979588 0.150470 0.304950 O\n0.849469 0.960723 0.950014 O\n0.244395 0.713670 0.869390 O\n0.553405 0.004884 0.893958 O\n0.568655 0.337113 0.166568 O\n0.406673 0.245245 0.283232 O\n0.997840 0.004448 0.745298 O\n0.681100 0.768455 0.616709 O\n0.431345 0.837113 0.833432 O\n0.215839 0.705070 0.183638 O\n0.423194 0.227392 0.600809 O\n0.508098 0.151115 0.161991 O\n0.991902 0.151115 0.661991 O\n0.996718 0.644323 0.013674 O\n0.928996 0.400768 0.154541 O\n0.505068 0.727937 0.074844 O\n0.803475 0.962795 0.304396 O\n0.929307 0.324908 0.007315 O\n0.002160 0.504448 0.254702 O\n0.979265 0.082921 0.179471 O\n0.054669 0.976051 0.589406 O\n0.746679 0.536094 0.324914 O\n0.366923 0.751714 0.579254 O\n0.509882 0.585339 0.640190 O\n0.467491 0.077778 0.008467 O\n0.318900 0.268455 0.383291 O\n0.093327 0.245245 0.783232 O\n0.070693 0.824908 0.992685 O\n0.753321 0.536094 0.824914 O\n0.654835 0.766891 0.299890 O\n0.201127 0.273050 0.501610 O\n0.133077 0.751714 0.079254 O\n0.715839 0.205070 0.316362 O\n0.154835 0.266891 0.200110 O\n0.990118 0.585339 0.140190 O\n0.520735 0.082921 0.679471 O\n0.650531 0.960723 0.450014 O\n0.280067 0.010063 0.536220 O\n0.768883 0.535496 0.661672 O\n0.994932 0.727937 0.574844 O\n0.416718 0.889595 0.004059 O\n0.491902 0.651115 0.838009 O\n0.686327 0.961659 0.164696 O\n0.502160 0.004448 0.245298 O\n0.719933 0.510063 0.463780 O\n0.020412 0.650470 0.695050 O\n0.755605 0.213670 0.130610 O\n0.975426 0.253527 0.581385 O\n0.554669 0.476051 0.910594 O\n0.475426 0.753527 0.918615 O\n0.303475 0.462795 0.195604 O\n0.570693 0.324908 0.507315 O\n0.813673 0.961659 0.664696 O\n0.008098 0.651115 0.338009 O\n0.413002 0.962405 0.745330 O\n0.479265 0.582921 0.320529 O\n0.445331 0.976051 0.089406 O\n0.520412 0.150470 0.804950 O\n0.913002 0.462405 0.754670 O\n0.076806 0.227392 0.100809 O\n0.334634 0.989901 0.424477 O\n0.524574 0.253527 0.081385 O\n0.231117 0.035496 0.338328 O\n0.313673 0.461659 0.835304 O\n0.056643 0.903471 0.154737 O\n0.532509 0.577778 0.991533 O\n0.923194 0.727392 0.899191 O\n0.268883 0.035496 0.838328 O\n0.428996 0.900768 0.345459 O\n0.298873 0.273050 0.001610 O\n0.068655 0.837113 0.333432 O\n0.503282 0.644323 0.513674 O\n0.009882 0.085339 0.859810 O\n0.446595 0.504884 0.106042 O\n0.583282 0.389595 0.995941 O\n","nsites":192,"nelements":3,"elements":["Mo","S","O"],"chemical_system":"Mo-O-S","density":3.221558853653101,"density_atomic":0.06928771298760697,"volume":2771.0540833457985,"volume_molar":8.691498824729777,"formula_full":"Mo24 S24 O144","formula_reduced":"MoSO6","formula_anonymous":"ABC6","energy":-1416.0053869,"energy_per_atom":-7.375028056770834,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1240.2293869,"band_gap":2.6943,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025833,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.401000Z","spacegroup":33},{"id":"mp-20630","created_at":"2022-09-04T14:39:08.010505Z","structure_string":"Ho1 Mn6 Sn6\n1.0\n2.727695 -4.724506 0.000000\n2.727695 4.724506 0.000000\n0.000000 0.000000 8.993162\nHo Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.751432 Mn\n0.000000 0.500000 0.248568 Mn\n0.500000 0.500000 0.248568 Mn\n0.500000 0.000000 0.248568 Mn\n0.500000 0.500000 0.751432 Mn\n0.500000 0.000000 0.751432 Mn\n0.000000 0.000000 0.666559 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.333441 Sn\n0.666667 0.333333 0.500000 Sn\n","nsites":13,"nelements":3,"elements":["Ho","Mn","Sn"],"chemical_system":"Ho-Mn-Sn","density":8.645626389303011,"density_atomic":0.05608525869705875,"volume":231.78996231824019,"volume_molar":10.737475229504142,"formula_full":"Ho1 Mn6 Sn6","formula_reduced":"Ho(MnSn)6","formula_anonymous":"AB6C6","energy":-85.41056063,"energy_per_atom":-6.570043125384616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.41056063,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.7993739,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.274000Z","spacegroup":191},{"id":"mp-580744","created_at":"2022-09-04T14:39:16.638019Z","structure_string":"Hf6 Si7 Ni16\n1.0\n0.000000 5.703477 5.703477\n5.703477 0.000000 5.703477\n5.703477 5.703477 0.000000\nHf Si Ni\n6 7 16\ndirect\n0.794206 0.205794 0.794206 Hf\n0.794206 0.794206 0.205794 Hf\n0.205794 0.794206 0.794206 Hf\n0.205794 0.205794 0.794206 Hf\n0.794206 0.205794 0.205794 Hf\n0.205794 0.794206 0.205794 Hf\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.168024 0.168024 0.168024 Ni\n0.618122 0.618122 0.145635 Ni\n0.381878 0.381878 0.381878 Ni\n0.168024 0.495929 0.168024 Ni\n0.168024 0.168024 0.495929 Ni\n0.145635 0.618122 0.618122 Ni\n0.618122 0.145635 0.618122 Ni\n0.831976 0.831976 0.831976 Ni\n0.854365 0.381878 0.381878 Ni\n0.381878 0.381878 0.854365 Ni\n0.381878 0.854365 0.381878 Ni\n0.504071 0.831976 0.831976 Ni\n0.618122 0.618122 0.618122 Ni\n0.831976 0.831976 0.504071 Ni\n0.495929 0.168024 0.168024 Ni\n0.831976 0.504071 0.831976 Ni\n","nsites":29,"nelements":3,"elements":["Hf","Si","Ni"],"chemical_system":"Hf-Ni-Si","density":9.874840901733828,"density_atomic":0.07815358755362158,"volume":371.06421992596245,"volume_molar":7.705520563426698,"formula_full":"Hf6 Si7 Ni16","formula_reduced":"Hf6Si7Ni16","formula_anonymous":"A6B7C16","energy":-212.85386292,"energy_per_atom":-7.3397883765517244,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-212.85386292,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002077,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.284000Z","spacegroup":225}]}