{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=73","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=71","results":[{"id":"mp-9889","created_at":"2022-09-04T14:43:35.750307Z","structure_string":"Ga2 S2\n1.0\n8.762751 -1.818497 0.000000\n8.762751 1.818497 0.000000\n8.385365 0.000000 3.127040\nGa S\n2 2\ndirect\n0.952756 0.952756 0.952756 Ga\n0.047244 0.047244 0.047244 Ga\n0.244764 0.244764 0.244764 S\n0.755236 0.755236 0.755236 S\n","nsites":4,"nelements":2,"elements":["Ga","S"],"chemical_system":"Ga-S","density":3.392026074169878,"density_atomic":0.04013686974358555,"volume":99.65899248132716,"volume_molar":15.004012018058347,"formula_full":"Ga2 S2","formula_reduced":"GaS","formula_anonymous":"AB","energy":-17.91753369,"energy_per_atom":-4.4793834225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.91153369,"band_gap":1.8665,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002869,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.677000Z","spacegroup":166},{"id":"mp-9888","created_at":"2022-09-04T14:44:23.579011Z","structure_string":"Ir3 Se8\n1.0\n4.267654 -4.304177 0.000000\n4.267654 4.304177 0.000000\n-0.073359 0.000000 6.060811\nIr Se\n3 8\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.617808 0.883980 0.121330 Se\n0.883980 0.121330 0.617808 Se\n0.121330 0.617808 0.883980 Se\n0.625238 0.625238 0.625238 Se\n0.374762 0.374762 0.374762 Se\n0.878670 0.382192 0.116020 Se\n0.116020 0.878670 0.382192 Se\n0.382192 0.116020 0.878670 Se\n","nsites":11,"nelements":2,"elements":["Ir","Se"],"chemical_system":"Ir-Se","density":9.011455738732181,"density_atomic":0.04940292057631543,"volume":222.6589009653324,"volume_molar":12.189847664364834,"formula_full":"Ir3 Se8","formula_reduced":"Ir3Se8","formula_anonymous":"A3B8","energy":-61.49740107,"energy_per_atom":-5.590672824545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.72140107,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029716,"is_theoretical":false,"updated_at":"2021-11-28T01:36:37.243000Z","spacegroup":148},{"id":"mp-9886","created_at":"2022-09-04T14:44:18.015371Z","structure_string":"La1 P2 Ru2\n1.0\n-2.026759 2.026759 5.438861\n2.026759 -2.026759 5.438861\n2.026759 2.026759 -5.438861\nLa P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.642716 0.642716 0.000000 P\n0.357284 0.357284 0.000000 P\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n","nsites":5,"nelements":3,"elements":["La","P","Ru"],"chemical_system":"La-P-Ru","density":7.488148043278911,"density_atomic":0.05594970909584589,"volume":89.36596956088975,"volume_molar":10.76348895699107,"formula_full":"La1 P2 Ru2","formula_reduced":"La(PRu)2","formula_anonymous":"AB2C2","energy":-39.54958952,"energy_per_atom":-7.909917903999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.54958952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018829,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.072000Z","spacegroup":139},{"id":"mp-988484","created_at":"2022-09-04T14:45:28.200895Z","structure_string":"Si8 Ag20 O26\n1.0\n8.112055 0.000000 0.000000\n-1.722386 9.225512 0.000000\n-1.689428 -5.004089 10.329754\nSi Ag O\n8 20 26\ndirect\n0.778862 0.909878 0.755427 Si\n0.221138 0.090122 0.244573 Si\n0.267957 0.429369 0.245023 Si\n0.557300 0.983796 0.250324 Si\n0.916658 0.520969 0.251322 Si\n0.732043 0.570631 0.754977 Si\n0.442700 0.016204 0.749676 Si\n0.083342 0.479031 0.748678 Si\n0.110754 0.310486 0.641639 Ag\n0.159128 0.575961 0.916636 Ag\n0.576630 0.802048 0.161011 Ag\n0.334066 0.506064 0.432728 Ag\n0.213822 0.030981 0.070146 Ag\n0.150827 0.874246 0.928603 Ag\n0.320200 0.939958 0.569513 Ag\n0.849173 0.125754 0.071397 Ag\n0.840872 0.424039 0.083364 Ag\n0.679800 0.060042 0.430487 Ag\n0.786178 0.969019 0.929854 Ag\n0.985994 0.960261 0.429050 Ag\n0.560932 0.563801 0.083988 Ag\n0.439068 0.436199 0.916012 Ag\n0.632934 0.341214 0.447991 Ag\n0.423370 0.197952 0.838989 Ag\n0.665934 0.493936 0.567272 Ag\n0.889246 0.689514 0.358361 Ag\n0.014006 0.039739 0.570950 Ag\n0.367066 0.658786 0.552009 Ag\n0.594735 0.750070 0.613225 O\n0.620050 0.203278 0.114449 O\n0.724550 0.827808 0.377074 O\n0.356353 0.646746 0.123414 O\n0.830669 0.732447 0.763454 O\n0.883858 0.798831 0.890203 O\n0.185833 0.210032 0.879321 O\n0.275450 0.172192 0.622926 O\n0.643647 0.353254 0.876586 O\n0.405265 0.249930 0.386775 O\n0.433326 0.101293 0.254897 O\n0.169331 0.267553 0.236546 O\n0.116142 0.201169 0.109797 O\n0.814167 0.789968 0.120679 O\n0.174641 0.820363 0.373137 O\n0.825359 0.179637 0.626863 O\n0.183421 0.669036 0.734652 O\n0.561738 0.188614 0.743884 O\n0.933561 0.429240 0.380387 O\n0.112868 0.545162 0.231758 O\n0.887132 0.454838 0.768242 O\n0.379950 0.796722 0.885551 O\n0.066439 0.570760 0.619613 O\n0.816579 0.330964 0.265348 O\n0.438262 0.811386 0.256116 O\n0.566674 0.898707 0.745103 O\n","nsites":54,"nelements":3,"elements":["Si","Ag","O"],"chemical_system":"Ag-O-Si","density":6.010221710094363,"density_atomic":0.06985257433306441,"volume":773.0566914044189,"volume_molar":8.621215205735727,"formula_full":"Si8 Ag20 O26","formula_reduced":"Si4Ag10O13","formula_anonymous":"A4B10C13","energy":-23.95098667,"energy_per_atom":-0.44353679018518516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.76498667,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8774388,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.046000Z","spacegroup":2},{"id":"mp-9884","created_at":"2022-09-04T14:46:20.044868Z","structure_string":"K2 Fe2 Se4\n1.0\n5.858892 3.660769 0.000000\n-5.858892 3.660769 0.000000\n0.000000 2.149578 5.191609\nK Fe Se\n2 2 4\ndirect\n0.361926 0.638074 0.250000 K\n0.638074 0.361926 0.750000 K\n0.998097 0.001903 0.250000 Fe\n0.001903 0.998097 0.750000 Fe\n0.083409 0.309004 0.900544 Se\n0.690996 0.916591 0.599456 Se\n0.916591 0.690996 0.099456 Se\n0.309004 0.083409 0.400544 Se\n","nsites":8,"nelements":3,"elements":["K","Fe","Se"],"chemical_system":"Fe-K-Se","density":3.7709007732650806,"density_atomic":0.035922801381525704,"volume":222.6997809840694,"volume_molar":16.764117853840467,"formula_full":"K2 Fe2 Se4","formula_reduced":"KFeSe2","formula_anonymous":"ABC2","energy":-40.26562051,"energy_per_atom":-5.03320256375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.37762051,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9314939,"is_theoretical":false,"updated_at":"2021-11-28T01:37:27.012000Z","spacegroup":15},{"id":"mp-988320","created_at":"2022-09-04T14:39:34.263688Z","structure_string":"Sr20 Cu10 Bi20 O58\n1.0\n5.403426 0.000000 0.000000\n2.701713 13.618726 0.000000\n2.701713 3.040869 24.813060\nSr Cu Bi O\n20 10 20 58\ndirect\n0.185593 0.839786 0.511098 Sr\n0.195209 0.421210 0.927891 Sr\n0.828355 0.749455 0.871991 Sr\n0.846109 0.578790 0.072109 Sr\n0.690164 0.507185 0.827733 Sr\n0.207479 0.059491 0.321781 Sr\n0.707718 0.337914 0.028452 Sr\n0.714105 0.159916 0.226227 Sr\n0.834708 0.160214 0.488902 Sr\n0.701192 0.951932 0.416586 Sr\n0.355246 0.492815 0.172267 Sr\n0.206909 0.250545 0.128009 Sr\n0.177339 0.614758 0.717677 Sr\n0.332673 0.048068 0.583414 Sr\n0.844904 0.385242 0.282323 Sr\n0.327961 0.840084 0.773773 Sr\n0.341352 0.662086 0.971548 Sr\n0.680036 0.726462 0.609463 Sr\n0.344112 0.273538 0.390537 Sr\n0.826206 0.940509 0.678219 Sr\n0.779776 0.176267 0.355651 Cu\n0.758926 0.941761 0.547870 Cu\n0.247859 0.823733 0.644349 Cu\n0.784847 0.375251 0.154800 Cu\n0.767582 0.542494 0.948654 Cu\n0.276433 0.457506 0.051346 Cu\n0.269295 0.058239 0.452130 Cu\n0.254795 0.624749 0.845200 Cu\n0.284494 0.280208 0.255738 Cu\n0.748549 0.719792 0.744262 Cu\n0.117496 0.975630 0.179110 Bi\n0.954623 0.462429 0.429755 Bi\n0.487498 0.411304 0.682327 Bi\n0.147933 0.325937 0.776946 Bi\n0.391421 0.595298 0.315099 Bi\n0.408724 0.345882 0.533402 Bi\n0.572255 0.231356 0.891175 Bi\n0.115668 0.148691 0.987844 Bi\n0.529440 0.654118 0.466598 Bi\n0.962757 0.024370 0.820890 Bi\n0.449725 0.768644 0.108825 Bi\n0.965203 0.226193 0.633062 Bi\n0.045050 0.674063 0.223054 Bi\n0.575298 0.880928 0.270927 Bi\n0.577212 0.066012 0.085329 Bi\n0.062438 0.537571 0.570245 Bi\n0.425870 0.933988 0.914671 Bi\n0.423443 0.119072 0.729073 Bi\n0.979133 0.851309 0.012156 Bi\n0.105947 0.773807 0.366938 Bi\n0.524124 0.307999 0.810127 O\n0.163771 0.108686 0.212505 O\n0.157768 0.461150 0.805784 O\n0.890835 0.538850 0.194216 O\n0.090939 0.664331 0.608991 O\n0.497069 0.669722 0.792258 O\n0.519203 0.497785 0.999225 O\n0.403056 0.633030 0.080343 O\n0.003835 0.884667 0.596895 O\n0.533618 0.226097 0.303112 O\n0.817618 0.335669 0.391009 O\n0.695550 0.010674 0.307081 O\n0.405999 0.692001 0.189873 O\n0.042846 0.234961 0.307802 O\n0.696260 0.199640 0.117887 O\n0.035089 0.330278 0.207742 O\n0.522272 0.115333 0.403105 O\n0.178408 0.887212 0.268800 O\n0.017364 0.000967 0.500643 O\n0.377795 0.989326 0.692919 O\n0.390283 0.213733 0.501626 O\n0.181950 0.065782 0.091611 O\n0.515754 0.999033 0.499357 O\n0.378732 0.800360 0.882113 O\n0.506277 0.784728 0.358317 O\n0.022189 0.120144 0.405587 O\n0.512629 0.583801 0.896666 O\n0.500083 0.765039 0.692198 O\n0.139693 0.457920 0.646947 O\n0.991439 0.667386 0.793987 O\n0.034826 0.542080 0.353053 O\n0.322349 0.422214 0.451521 O\n0.530964 0.415480 0.101909 O\n0.013576 0.584520 0.898091 O\n0.024557 0.934218 0.908389 O\n0.360156 0.022758 0.818056 O\n0.850868 0.718726 0.981773 O\n0.150369 0.281274 0.018227 O\n0.689683 0.366970 0.919657 O\n0.516387 0.145689 0.999814 O\n0.022194 0.502215 0.000775 O\n0.496458 0.879856 0.594413 O\n0.847622 0.094515 0.599021 O\n0.530065 0.332614 0.206013 O\n0.032162 0.416199 0.103334 O\n0.842580 0.891314 0.787495 O\n0.178753 0.225686 0.904344 O\n0.370884 0.854311 0.000186 O\n0.004409 0.773903 0.696888 O\n0.048723 0.774314 0.095656 O\n0.363233 0.215272 0.641683 O\n0.519342 0.977242 0.181944 O\n0.151259 0.688432 0.450449 O\n0.154086 0.905485 0.400979 O\n0.674924 0.786267 0.498374 O\n0.022396 0.112788 0.731200 O\n0.448613 0.577786 0.548479 O\n0.012378 0.311568 0.549551 O\n","nsites":108,"nelements":4,"elements":["Sr","Cu","Bi","O"],"chemical_system":"Bi-Cu-O-Sr","density":6.816474578506985,"density_atomic":0.059147683373323885,"volume":1825.9379546335526,"volume_molar":10.181532760953472,"formula_full":"Sr20 Cu10 Bi20 O58","formula_reduced":"Sr10Cu5Bi10O29","formula_anonymous":"A5B10C10D29","energy":-615.40485973,"energy_per_atom":-5.6981931456481485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-575.55885973,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7578854,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.099000Z","spacegroup":1},{"id":"mp-988256","created_at":"2022-09-04T14:46:58.960899Z","structure_string":"Fe4 Sb4 Pt4\n1.0\n-5.045690 0.000000 0.000000\n0.000000 -7.135684 0.000000\n0.000000 3.567842 6.179683\nFe Sb Pt\n4 4 4\ndirect\n0.383591 0.616409 0.000000 Fe\n0.620832 0.124968 0.248458 Fe\n0.875032 0.876510 0.497342 Fe\n0.123490 0.379168 0.254200 Fe\n0.875887 0.624551 0.751401 Sb\n0.375449 0.873150 0.749037 Sb\n0.612766 0.387234 0.000000 Sb\n0.126850 0.124113 0.499562 Sb\n0.521079 0.971693 0.448697 Pt\n0.028307 0.522995 0.044074 Pt\n0.979214 0.020786 0.000000 Pt\n0.477005 0.478921 0.507228 Pt\n","nsites":12,"nelements":3,"elements":["Fe","Sb","Pt"],"chemical_system":"Fe-Pt-Sb","density":11.125852345120634,"density_atomic":0.05393353352563142,"volume":222.49608389365235,"volume_molar":11.165856131302863,"formula_full":"Fe4 Sb4 Pt4","formula_reduced":"FeSbPt","formula_anonymous":"ABC","energy":-60.65708414000001,"energy_per_atom":-5.054757011666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.88908414000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.5854484,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.852000Z","spacegroup":1},{"id":"mp-988253","created_at":"2022-09-04T14:44:13.799277Z","structure_string":"Al12 S18\n1.0\n6.513156 0.000000 0.000000\n-2.852253 6.797145 0.000000\n-0.680630 -3.771224 20.631655\nAl S\n12 18\ndirect\n0.180752 0.510728 0.192459 Al\n0.148501 0.178098 0.744539 Al\n0.598352 0.252985 0.358554 Al\n0.755459 0.476676 0.107950 Al\n0.623984 0.464314 0.429919 Al\n0.147051 0.940915 0.188180 Al\n0.569958 0.088529 0.516967 Al\n0.071426 0.082399 0.626519 Al\n0.521331 0.910049 0.120665 Al\n0.878038 0.319425 0.017897 Al\n0.034919 0.034959 0.324896 Al\n0.117079 0.749714 0.678854 Al\n0.698937 0.066631 0.652463 S\n0.350249 0.348322 0.637961 S\n0.921493 0.630309 0.164874 S\n0.939622 0.645662 0.997756 S\n0.847600 0.815476 0.284158 S\n0.536432 0.855250 0.613247 S\n0.660697 0.026132 0.011257 S\n0.894050 0.414629 0.466544 S\n0.412154 0.097476 0.305358 S\n0.335350 0.326765 0.144032 S\n0.241212 0.142567 0.520473 S\n0.482425 0.903382 0.454123 S\n0.293868 0.078077 0.815874 S\n0.929444 0.381437 0.743734 S\n0.018871 0.351116 0.303044 S\n0.843701 0.190823 0.120297 S\n0.753770 0.808857 0.436529 S\n0.601513 0.316539 0.816757 S\n","nsites":30,"nelements":2,"elements":["Al","S"],"chemical_system":"Al-S","density":1.6379361360515545,"density_atomic":0.03284499293855409,"volume":913.3812284911597,"volume_molar":18.335034418384954,"formula_full":"Al12 S18","formula_reduced":"Al2S3","formula_anonymous":"A2B3","energy":-97.22664829,"energy_per_atom":-3.2408882763333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.17264829,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2352834,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.649000Z","spacegroup":1},{"id":"mp-988230","created_at":"2022-09-04T14:45:11.106165Z","structure_string":"Ba2 Bi1 Sb1 O6\n1.0\n5.651973 0.000000 0.000000\n-2.130143 5.285594 0.000000\n-0.283983 -3.013950 6.838480\nBa Bi Sb O\n2 1 1 6\ndirect\n0.353698 0.998865 0.646751 Ba\n0.646302 0.001135 0.353249 Ba\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Sb\n0.352989 0.583358 0.270476 O\n0.230991 0.246692 0.311556 O\n0.533857 0.395803 0.994041 O\n0.647011 0.416642 0.729524 O\n0.769009 0.753308 0.688444 O\n0.466143 0.604197 0.005959 O\n","nsites":10,"nelements":4,"elements":["Ba","Bi","Sb","O"],"chemical_system":"Ba-Bi-O-Sb","density":5.701061186215728,"density_atomic":0.04894930608817266,"volume":204.29298797386306,"volume_molar":12.302811298595905,"formula_full":"Ba2 Bi1 Sb1 O6","formula_reduced":"Ba2BiSbO6","formula_anonymous":"ABC2D6","energy":-44.53890156,"energy_per_atom":-4.453890156,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.57290155999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0117465,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.995000Z","spacegroup":2},{"id":"mp-988210","created_at":"2022-09-04T14:43:05.256663Z","structure_string":"Si8\n1.0\n-3.974623 0.000000 0.000000\n1.976217 5.084593 0.000000\n-0.110606 -2.650884 -8.615209\nSi\n8\ndirect\n0.094740 0.909988 0.917667 Si\n0.000724 0.270713 0.940289 Si\n0.566595 0.244351 0.759282 Si\n0.125707 0.990164 0.371541 Si\n0.841008 0.871147 0.198355 Si\n0.286715 0.524582 0.317670 Si\n0.567874 0.643991 0.488678 Si\n0.509253 0.566510 0.999908 Si\n","nsites":8,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.142906835476681,"density_atomic":0.04594857347480511,"volume":174.1076902939462,"volume_molar":13.106262729357873,"formula_full":"Si8","formula_reduced":"Si","formula_anonymous":"A","energy":-27.72556029,"energy_per_atom":-3.46569503625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.72556029,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020746,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.555000Z","spacegroup":1},{"id":"mp-9882","created_at":"2022-09-04T14:39:09.136903Z","structure_string":"Y4 Si10 Rh6\n1.0\n5.906624 5.564235 0.000000\n-5.906624 5.564235 0.000000\n0.000000 2.702009 5.029931\nY Si Rh\n4 10 6\ndirect\n0.867134 0.599179 0.760065 Y\n0.132866 0.400821 0.239935 Y\n0.400821 0.132866 0.739935 Y\n0.599179 0.867134 0.260065 Y\n0.775911 0.224089 0.750000 Si\n0.224089 0.775911 0.250000 Si\n0.512256 0.487744 0.750000 Si\n0.487744 0.512256 0.250000 Si\n0.210320 0.789680 0.750000 Si\n0.789680 0.210320 0.250000 Si\n0.266472 0.058002 0.338774 Si\n0.733528 0.941998 0.661226 Si\n0.941998 0.733528 0.161226 Si\n0.058002 0.266472 0.838774 Si\n0.539549 0.260293 0.126254 Rh\n0.739707 0.460451 0.373746 Rh\n0.460451 0.739707 0.873746 Rh\n0.260293 0.539549 0.626254 Rh\n0.997962 0.002038 0.250000 Rh\n0.002038 0.997962 0.750000 Rh\n","nsites":20,"nelements":3,"elements":["Y","Si","Rh"],"chemical_system":"Rh-Si-Y","density":6.297658921001547,"density_atomic":0.06049133693791642,"volume":330.62585507948745,"volume_molar":9.955377190920174,"formula_full":"Y4 Si10 Rh6","formula_reduced":"Y2Si5Rh3","formula_anonymous":"A2B3C5","energy":-143.79477495,"energy_per_atom":-7.1897387475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.79477495,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058663,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.211000Z","spacegroup":15},{"id":"mp-9881","created_at":"2022-09-04T14:41:28.499557Z","structure_string":"K2 Au2 Se2\n1.0\n3.301226 -4.074913 0.000000\n3.301226 4.074913 0.000000\n0.000000 0.000000 7.250350\nK Au Se\n2 2 2\ndirect\n0.363348 0.636652 0.750000 K\n0.636652 0.363348 0.250000 K\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.796173 0.203827 0.750000 Se\n0.203827 0.796173 0.250000 Se\n","nsites":6,"nelements":3,"elements":["K","Au","Se"],"chemical_system":"Au-K-Se","density":5.363414567976471,"density_atomic":0.03075875018656145,"volume":195.06644332452134,"volume_molar":19.578626320880502,"formula_full":"K2 Au2 Se2","formula_reduced":"KAuSe","formula_anonymous":"ABC","energy":-21.17895618,"energy_per_atom":-3.52982603,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.23495618,"band_gap":1.816,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003912,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.474000Z","spacegroup":63}]}