{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10181","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10179","results":[{"id":"mp-600089","created_at":"2022-09-04T14:47:30.464606Z","structure_string":"Cs1 Pb1 Br3\n1.0\n6.017334 0.000000 0.000000\n0.000000 6.017334 0.000000\n0.000000 0.000000 6.017334\nCs Pb Br\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Br\n0.000000 0.500000 0.000000 Br\n0.500000 0.000000 0.000000 Br\n","nsites":5,"nelements":3,"elements":["Cs","Pb","Br"],"chemical_system":"Br-Cs-Pb","density":4.419040946876881,"density_atomic":0.0229486768018864,"volume":217.8774856243126,"volume_molar":26.24177773728974,"formula_full":"Cs1 Pb1 Br3","formula_reduced":"CsPbBr3","formula_anonymous":"ABC3","energy":-17.65899171,"energy_per_atom":-3.5317983419999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.05699171,"band_gap":1.7819000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005112,"is_theoretical":false,"updated_at":"2021-11-28T01:38:16.388000Z","spacegroup":221},{"id":"mp-989699","created_at":"2022-09-04T14:47:32.928245Z","structure_string":"La1 W1 N3\n1.0\n4.032311 2.328056 0.000000\n-4.032311 2.328056 0.000000\n0.000000 0.000000 3.292368\nLa W N\n1 1 3\ndirect\n0.954582 0.954582 0.954582 La\n0.449186 0.449186 0.449186 W\n0.404070 0.913082 0.404070 N\n0.404070 0.404070 0.913082 N\n0.913082 0.404070 0.404070 N\n","nsites":5,"nelements":3,"elements":["La","W","N"],"chemical_system":"La-N-W","density":9.798895480588964,"density_atomic":0.0808880178809465,"volume":61.81385242198857,"volume_molar":7.4450344040616425,"formula_full":"La1 W1 N3","formula_reduced":"LaWN3","formula_anonymous":"ABC3","energy":-36.78485928,"energy_per_atom":-7.3569718559999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.70185928,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005251,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.568000Z","spacegroup":8},{"id":"mp-1187146","created_at":"2022-09-04T14:47:26.562975Z","structure_string":"Sr1 Au1 O3\n1.0\n4.135840 0.000000 0.000000\n0.000000 4.135840 0.000000\n0.000000 0.000000 4.135840\nSr Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Sr","Au","O"],"chemical_system":"Au-O-Sr","density":7.806570144195962,"density_atomic":0.07067711551969477,"volume":70.7442566555607,"volume_molar":8.520637430827067,"formula_full":"Sr1 Au1 O3","formula_reduced":"SrAuO3","formula_anonymous":"ABC3","energy":-26.91376889,"energy_per_atom":-5.382753778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.85276889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005236,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.417000Z","spacegroup":221},{"id":"mp-27669","created_at":"2022-09-04T14:47:21.547977Z","structure_string":"H8 S24 N8\n1.0\n13.192363 0.000000 0.000000\n0.000000 8.510500 0.000000\n0.000000 4.834932 7.987947\nH S N\n8 24 8\ndirect\n0.460233 0.715727 0.923740 H\n0.460233 0.284273 0.576260 H\n0.539767 0.284273 0.076260 H\n0.539767 0.715727 0.423740 H\n0.075671 0.781390 0.632910 H\n0.075671 0.218610 0.867090 H\n0.924329 0.218610 0.367090 H\n0.924329 0.781390 0.132910 H\n0.405283 0.792630 0.538313 S\n0.405283 0.207370 0.961687 S\n0.594717 0.207370 0.461687 S\n0.594717 0.792630 0.038313 S\n0.307460 0.574119 0.619108 S\n0.307460 0.425881 0.880892 S\n0.692540 0.425881 0.380892 S\n0.692540 0.574119 0.119108 S\n0.391778 0.641289 0.183522 S\n0.391778 0.358711 0.316478 S\n0.608222 0.358711 0.816478 S\n0.608222 0.641289 0.683522 S\n0.843135 0.924605 0.690476 S\n0.843135 0.075395 0.809524 S\n0.156865 0.075395 0.309524 S\n0.156865 0.924605 0.190476 S\n0.940636 0.705619 0.817969 S\n0.940636 0.294381 0.682031 S\n0.059364 0.294381 0.182031 S\n0.059364 0.705619 0.317969 S\n0.143625 0.858918 0.819850 S\n0.143625 0.141082 0.680150 S\n0.856375 0.141082 0.180150 S\n0.856375 0.858918 0.319850 S\n0.475918 0.732231 0.022622 N\n0.475918 0.267769 0.477378 N\n0.524082 0.267769 0.977378 N\n0.524082 0.732231 0.522622 N\n0.060066 0.763615 0.747876 N\n0.060066 0.236385 0.752124 N\n0.939934 0.236385 0.252124 N\n0.939934 0.763615 0.247876 N\n","nsites":40,"nelements":3,"elements":["H","S","N"],"chemical_system":"H-N-S","density":1.6472847420909973,"density_atomic":0.044601262049317324,"volume":896.8356087271806,"volume_molar":13.502175685838413,"formula_full":"H8 S24 N8","formula_reduced":"HS3N","formula_anonymous":"ABC3","energy":-194.19602157,"energy_per_atom":-4.85490053925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.87602157,"band_gap":3.0362,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.841000Z","spacegroup":13},{"id":"mp-649086","created_at":"2022-09-04T14:47:21.621571Z","structure_string":"Ga8 Fe8 O24\n1.0\n5.167031 0.000000 0.000000\n0.000000 8.863432 0.000000\n0.000000 0.000000 9.535878\nGa Fe O\n8 8 24\ndirect\n0.825237 0.847240 0.500699 Ga\n0.185520 0.839061 0.806858 Ga\n0.325237 0.652760 0.500699 Ga\n0.314480 0.339061 0.306858 Ga\n0.814480 0.160939 0.306858 Ga\n0.674763 0.347240 0.000699 Ga\n0.174763 0.152760 0.000699 Ga\n0.685520 0.660939 0.806858 Ga\n0.324972 0.968486 0.298598 Fe\n0.191238 0.151931 0.582809 Fe\n0.691238 0.348069 0.582809 Fe\n0.808762 0.848069 0.082809 Fe\n0.824972 0.531514 0.298598 Fe\n0.175028 0.468486 0.798598 Fe\n0.675028 0.031514 0.798598 Fe\n0.308762 0.651931 0.082809 Fe\n0.513462 0.169525 0.940479 O\n0.153138 0.161408 0.198105 O\n0.524540 0.822620 0.923995 O\n0.486913 0.511542 0.932583 O\n0.513087 0.488458 0.432583 O\n0.653138 0.338592 0.198105 O\n0.152898 0.830303 0.172434 O\n0.843681 0.501658 0.703200 O\n0.343681 0.998342 0.703200 O\n0.156319 0.498342 0.203200 O\n0.347102 0.330303 0.672434 O\n0.346862 0.661408 0.698105 O\n0.652898 0.669697 0.172434 O\n0.986913 0.988458 0.932583 O\n0.847102 0.169697 0.672434 O\n0.486538 0.830475 0.440479 O\n0.475460 0.177380 0.423995 O\n0.846862 0.838592 0.698105 O\n0.656319 0.001658 0.203200 O\n0.975460 0.322620 0.423995 O\n0.013087 0.011542 0.432583 O\n0.986538 0.669525 0.440479 O\n0.013462 0.330475 0.940479 O\n0.024539 0.677380 0.923995 O\n","nsites":40,"nelements":3,"elements":["Ga","Fe","O"],"chemical_system":"Fe-Ga-O","density":5.279594518392152,"density_atomic":0.0915917423912877,"volume":436.720592442893,"volume_molar":6.574982201204235,"formula_full":"Ga8 Fe8 O24","formula_reduced":"GaFeO3","formula_anonymous":"ABC3","energy":-288.82619415,"energy_per_atom":-7.22065485375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-254.29019415,"band_gap":0.1724000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.004998,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.038000Z","spacegroup":33},{"id":"mp-1226613","created_at":"2022-09-04T14:47:30.786651Z","structure_string":"Ce1 Ga3 Cu1\n1.0\n-2.123890 2.123890 5.146749\n2.123890 -2.123890 5.146749\n2.123890 2.123890 -5.146749\nCe Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.619201 0.619201 0.000000 Ga\n0.380799 0.380799 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n","nsites":5,"nelements":3,"elements":["Ce","Ga","Cu"],"chemical_system":"Ce-Cu-Ga","density":7.3818357667546675,"density_atomic":0.05384098344111955,"volume":92.86606002410775,"volume_molar":11.185049705835716,"formula_full":"Ce1 Ga3 Cu1","formula_reduced":"CeGa3Cu","formula_anonymous":"ABC3","energy":-21.36393492,"energy_per_atom":-4.272786984,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.36393492,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.315694,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.654000Z","spacegroup":119},{"id":"mp-1184206","created_at":"2022-09-04T14:47:32.132336Z","structure_string":"Ga1 Si1 O3\n1.0\n3.576533 0.000000 0.000000\n0.000000 3.576533 0.000000\n0.000000 0.000000 3.576533\nGa Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ga","Si","O"],"chemical_system":"Ga-O-Si","density":5.2922441146358805,"density_atomic":0.10929072191343973,"volume":45.74953767768221,"volume_molar":5.510203111998516,"formula_full":"Ga1 Si1 O3","formula_reduced":"GaSiO3","formula_anonymous":"ABC3","energy":-33.52867659,"energy_per_atom":-6.705735318,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.46767659,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0074265,"is_theoretical":true,"updated_at":"2021-11-28T01:38:10.037000Z","spacegroup":221},{"id":"mp-1078933","created_at":"2022-09-04T14:47:30.905776Z","structure_string":"Na2 Ca2 H6\n1.0\n5.361132 -2.934663 0.000000\n5.361132 2.934663 0.000000\n3.754709 0.000000 4.822462\nNa Ca H\n2 2 6\ndirect\n0.717410 0.717410 0.717410 Na\n0.217410 0.217410 0.217410 Na\n0.498861 0.498861 0.498861 Ca\n0.998861 0.998861 0.998861 Ca\n0.807331 0.114935 0.383464 H\n0.114935 0.383464 0.807331 H\n0.383464 0.807331 0.114935 H\n0.307331 0.883464 0.614935 H\n0.883464 0.614935 0.307331 H\n0.614935 0.307331 0.883464 H\n","nsites":10,"nelements":3,"elements":["Na","Ca","H"],"chemical_system":"Ca-H-Na","density":1.4464776967643616,"density_atomic":0.06590015759964397,"volume":151.7447053882922,"volume_molar":9.138279754330261,"formula_full":"Na2 Ca2 H6","formula_reduced":"NaCaH3","formula_anonymous":"ABC3","energy":-31.45119177,"energy_per_atom":-3.145119177,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.37719177,"band_gap":3.3120000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.25e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.739000Z","spacegroup":161},{"id":"mp-5163","created_at":"2022-09-04T14:47:26.769715Z","structure_string":"La4 Rh4 O12\n1.0\n5.521330 0.000000 0.000000\n0.000000 5.878627 0.000000\n0.000000 0.000000 7.945444\nLa Rh O\n4 4 12\ndirect\n0.479827 0.570067 0.750000 La\n0.979827 0.929933 0.250000 La\n0.020173 0.070067 0.750000 La\n0.520173 0.429933 0.250000 La\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.810649 0.197821 0.447202 O\n0.310649 0.302179 0.552798 O\n0.689351 0.697821 0.052798 O\n0.189351 0.802179 0.947202 O\n0.189351 0.802179 0.552798 O\n0.689351 0.697821 0.447202 O\n0.310649 0.302179 0.947202 O\n0.810649 0.197821 0.052798 O\n0.394181 0.031167 0.250000 O\n0.894181 0.468833 0.750000 O\n0.105819 0.531167 0.250000 O\n0.605819 0.968833 0.750000 O\n","nsites":20,"nelements":3,"elements":["La","Rh","O"],"chemical_system":"La-O-Rh","density":7.464202806132534,"density_atomic":0.07755185934118482,"volume":257.8919470133035,"volume_molar":7.765308028922876,"formula_full":"La4 Rh4 O12","formula_reduced":"LaRhO3","formula_anonymous":"ABC3","energy":-159.47699048,"energy_per_atom":-7.973849524,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.23299048,"band_gap":0.5939999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007772,"is_theoretical":false,"updated_at":"2021-11-28T01:38:11.027000Z","spacegroup":62},{"id":"mp-569211","created_at":"2022-09-04T14:47:25.989932Z","structure_string":"Nd12 Fe12 Sb36\n1.0\n6.237066 0.000000 0.000000\n0.000000 12.709238 0.000000\n0.000000 0.000000 18.491927\nNd Fe Sb\n12 12 36\ndirect\n0.519472 0.700514 0.417156 Nd\n0.547703 0.307118 0.250000 Nd\n0.019472 0.299486 0.417156 Nd\n0.480528 0.299486 0.917156 Nd\n0.047703 0.692882 0.250000 Nd\n0.452297 0.692882 0.750000 Nd\n0.980528 0.700514 0.917156 Nd\n0.519472 0.700514 0.082844 Nd\n0.019472 0.299486 0.082844 Nd\n0.980528 0.700514 0.582844 Nd\n0.480528 0.299486 0.582844 Nd\n0.952297 0.307118 0.750000 Nd\n0.682786 0.898741 0.821437 Fe\n0.182786 0.101259 0.678563 Fe\n0.817214 0.898741 0.178563 Fe\n0.750000 0.105002 0.500000 Fe\n0.317214 0.101259 0.321437 Fe\n0.317214 0.101259 0.178563 Fe\n0.817214 0.898741 0.321437 Fe\n0.750000 0.105002 0.000000 Fe\n0.250000 0.894998 0.000000 Fe\n0.250000 0.894998 0.500000 Fe\n0.182786 0.101259 0.821437 Fe\n0.682786 0.898741 0.678563 Fe\n0.217007 0.496849 0.834367 Sb\n0.966954 0.970813 0.587775 Sb\n0.167429 0.941223 0.250000 Sb\n0.958367 0.782019 0.750000 Sb\n0.033046 0.029187 0.412225 Sb\n0.282993 0.496849 0.334367 Sb\n0.782993 0.503151 0.334367 Sb\n0.041633 0.217981 0.250000 Sb\n0.016150 0.779333 0.084568 Sb\n0.483850 0.779333 0.915432 Sb\n0.717007 0.503151 0.834367 Sb\n0.250000 0.502748 0.000000 Sb\n0.750000 0.497252 0.000000 Sb\n0.016150 0.779333 0.415432 Sb\n0.533046 0.970813 0.412225 Sb\n0.466954 0.029187 0.587775 Sb\n0.250000 0.502748 0.500000 Sb\n0.483850 0.779333 0.584568 Sb\n0.541633 0.782019 0.250000 Sb\n0.458367 0.217981 0.750000 Sb\n0.750000 0.497252 0.500000 Sb\n0.033046 0.029187 0.087775 Sb\n0.782993 0.503151 0.165633 Sb\n0.466954 0.029187 0.912225 Sb\n0.533046 0.970813 0.087775 Sb\n0.332571 0.941223 0.750000 Sb\n0.717007 0.503151 0.665633 Sb\n0.832571 0.058777 0.750000 Sb\n0.516150 0.220667 0.415432 Sb\n0.516150 0.220667 0.084568 Sb\n0.667429 0.058777 0.250000 Sb\n0.282993 0.496849 0.165633 Sb\n0.983850 0.220667 0.915432 Sb\n0.966954 0.970813 0.912225 Sb\n0.983850 0.220667 0.584568 Sb\n0.217007 0.496849 0.665633 Sb\n","nsites":60,"nelements":3,"elements":["Nd","Fe","Sb"],"chemical_system":"Fe-Nd-Sb","density":7.685617672789057,"density_atomic":0.040932590219338975,"volume":1465.8246565508687,"volume_molar":14.712337352046644,"formula_full":"Nd12 Fe12 Sb36","formula_reduced":"NdFeSb3","formula_anonymous":"ABC3","energy":-342.5154944,"energy_per_atom":-5.708591573333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.6034944,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2146892,"is_theoretical":false,"updated_at":"2021-11-28T01:38:13.950000Z","spacegroup":57},{"id":"mp-1079715","created_at":"2022-09-04T14:47:21.710578Z","structure_string":"Lu2 Ni2 Ge6\n1.0\n2.041610 -10.766341 0.000000\n2.041610 10.766341 0.000000\n0.000000 0.000000 4.046065\nLu Ni Ge\n2 2 6\ndirect\n0.168981 0.831019 0.500000 Lu\n0.831019 0.168981 0.500000 Lu\n0.388395 0.611605 0.000000 Ni\n0.611605 0.388395 0.000000 Ni\n0.282892 0.717108 0.000000 Ge\n0.717108 0.282892 0.000000 Ge\n0.442583 0.557417 0.500000 Ge\n0.557417 0.442583 0.500000 Ge\n0.057704 0.942296 0.000000 Ge\n0.942296 0.057704 0.000000 Ge\n","nsites":10,"nelements":3,"elements":["Lu","Ni","Ge"],"chemical_system":"Ge-Lu-Ni","density":8.431608066947634,"density_atomic":0.05622069805272479,"volume":177.8704346684173,"volume_molar":10.71160794615593,"formula_full":"Lu2 Ni2 Ge6","formula_reduced":"LuNiGe3","formula_anonymous":"ABC3","energy":-53.46626124,"energy_per_atom":-5.346626124,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.46626124,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0186393,"is_theoretical":false,"updated_at":"2021-11-28T01:38:05.195000Z","spacegroup":65},{"id":"mp-754300","created_at":"2022-09-04T14:47:21.843693Z","structure_string":"Ho2 Bi2 O6\n1.0\n5.345630 -2.994717 0.000000\n5.345630 2.994717 0.000000\n3.667937 0.000000 4.908191\nHo Bi O\n2 2 6\ndirect\n0.858150 0.858150 0.858150 Ho\n0.141850 0.141850 0.141850 Ho\n0.643415 0.643415 0.643415 Bi\n0.356585 0.356585 0.356585 Bi\n0.218534 0.544155 0.987806 O\n0.012194 0.781466 0.455845 O\n0.455845 0.012194 0.781466 O\n0.544155 0.987806 0.218534 O\n0.987806 0.218534 0.544155 O\n0.781466 0.455845 0.012194 O\n","nsites":10,"nelements":3,"elements":["Ho","Bi","O"],"chemical_system":"Bi-Ho-O","density":8.916443593387505,"density_atomic":0.06363468022498313,"volume":157.1470142482774,"volume_molar":9.463614398168522,"formula_full":"Ho2 Bi2 O6","formula_reduced":"HoBiO3","formula_anonymous":"ABC3","energy":-74.5128248,"energy_per_atom":-7.451282480000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.3908248,"band_gap":2.4719,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.34e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.181000Z","spacegroup":148}]}