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S\n0.592430 0.425091 0.709377 S\n0.479753 0.897626 0.211795 S\n0.412255 0.910929 0.547850 S\n0.419183 0.915353 0.872309 S\n0.416418 0.550006 0.127218 S\n0.421867 0.592463 0.458691 S\n0.419429 0.595100 0.787260 S\n0.083445 0.949893 0.127239 S\n0.078150 0.907528 0.458696 S\n0.080581 0.904899 0.787263 S\n0.604427 0.075318 0.296272 S\n0.581526 0.084570 0.627330 S\n0.577311 0.038506 0.968412 S\n","nsites":80,"nelements":3,"elements":["Al","Bi","S"],"chemical_system":"Al-Bi-S","density":4.000697936581011,"density_atomic":0.042023650838978716,"volume":1903.6899080123856,"volume_molar":14.330360736802549,"formula_full":"Al20 Bi12 S48","formula_reduced":"Al5(BiS4)3","formula_anonymous":"A3B5C12","energy":-397.5141197,"energy_per_atom":-4.96892649625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-373.3701197,"band_gap":0.0308000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.543000Z","spacegroup":37},{"id":"mp-1221893","created_at":"2022-09-04T14:48:29.611503Z","structure_string":"Mn2 Co1 Ni1 Sb2\n1.0\n7.082551 -2.133594 0.000000\n7.082551 2.133594 0.000000\n6.439813 0.000000 3.639170\nMn Co Ni Sb\n2 1 1 2\ndirect\n0.749329 0.749329 0.749329 Mn\n0.250650 0.250650 0.250650 Mn\n0.999804 0.999804 0.999804 Co\n0.500122 0.500122 0.500122 Ni\n0.124370 0.124370 0.124370 Sb\n0.625724 0.625724 0.625724 Sb\n","nsites":6,"nelements":4,"elements":["Mn","Co","Ni","Sb"],"chemical_system":"Co-Mn-Ni-Sb","density":7.111432465048092,"density_atomic":0.05455284684373937,"volume":109.98509421857194,"volume_molar":11.039095314768373,"formula_full":"Mn2 Co1 Ni1 Sb2","formula_reduced":"Mn2CoNiSb2","formula_anonymous":"ABC2D2","energy":-38.38007156,"energy_per_atom":-6.396678593333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.99607156,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.1314,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.532000Z","spacegroup":160},{"id":"mp-1227639","created_at":"2022-09-04T14:48:26.032894Z","structure_string":"Cd1 P6 Pb9 O26\n1.0\n7.414259 0.000000 0.000000\n0.031125 9.909717 0.000000\n0.018249 4.939325 8.595692\nCd P Pb O\n1 6 9 26\ndirect\n0.504192 0.332096 0.333859 Cd\n0.739766 0.622938 0.977591 P\n0.741392 0.401313 0.620874 P\n0.740362 0.978888 0.401943 P\n0.256805 0.373605 0.031902 P\n0.256970 0.594872 0.370607 P\n0.256557 0.032953 0.596144 P\n0.729728 0.992804 0.769742 Pb\n0.737760 0.235901 0.996299 Pb\n0.734617 0.769072 0.235678 Pb\n0.241113 0.003016 0.234436 Pb\n0.236457 0.759394 0.009578 Pb\n0.239973 0.229935 0.766823 Pb\n0.997035 0.664407 0.666411 Pb\n0.491618 0.663787 0.668165 Pb\n0.994545 0.331011 0.336590 Pb\n0.726823 0.511123 0.155992 O\n0.728560 0.333044 0.509834 O\n0.727735 0.157083 0.336223 O\n0.243990 0.492376 0.855484 O\n0.243259 0.654079 0.488298 O\n0.243023 0.855988 0.656028 O\n0.574724 0.737692 0.914020 O\n0.577959 0.351843 0.735607 O\n0.577084 0.916559 0.349539 O\n0.082538 0.272811 0.093215 O\n0.081181 0.633483 0.269886 O\n0.081560 0.096034 0.634847 O\n0.416007 0.257117 0.067896 O\n0.412855 0.680971 0.251087 O\n0.414969 0.067603 0.678408 O\n0.911609 0.728295 0.933475 O\n0.915044 0.344480 0.722963 O\n0.913329 0.933754 0.343283 O\n0.746005 0.532010 0.886630 O\n0.745216 0.583798 0.526331 O\n0.744154 0.889226 0.584918 O\n0.285103 0.461591 0.125474 O\n0.289432 0.415711 0.454862 O\n0.286459 0.126732 0.415885 O\n0.685971 0.994619 0.992304 O\n0.186520 0.985988 0.000868 O\n","nsites":42,"nelements":4,"elements":["Cd","P","Pb","O"],"chemical_system":"Cd-O-P-Pb","density":6.781050570904506,"density_atomic":0.0665027247693682,"volume":631.553070128423,"volume_molar":9.05547972791313,"formula_full":"Cd1 P6 Pb9 O26","formula_reduced":"CdP6Pb9O26","formula_anonymous":"AB6C9D26","energy":-288.36854155000003,"energy_per_atom":-6.865917655952382,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.50654155,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0021782,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.526000Z","spacegroup":1}]}