{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=12159","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=12157","results":[{"id":"mp-1208609","created_at":"2022-09-04T14:48:14.539094Z","structure_string":"Tb6 Co16 Sn8\n1.0\n0.000000 0.000000 -7.555116\n-4.426507 -7.666935 0.000000\n-4.426507 7.666935 0.000000\nTb Co Sn\n6 16 8\ndirect\n0.784624 0.475491 0.950981 Tb\n0.784624 0.475491 0.524509 Tb\n0.284624 0.524509 0.049019 Tb\n0.784624 0.049019 0.524509 Tb\n0.284624 0.524509 0.475491 Tb\n0.284624 0.950981 0.475491 Tb\n0.624640 0.666667 0.333333 Co\n0.124640 0.333333 0.666667 Co\n0.754916 0.097841 0.195682 Co\n0.754916 0.097841 0.902159 Co\n0.254916 0.902159 0.804318 Co\n0.754916 0.804318 0.902159 Co\n0.254916 0.902159 0.097841 Co\n0.254916 0.195682 0.097841 Co\n0.943615 0.840736 0.681472 Co\n0.943615 0.840736 0.159264 Co\n0.443615 0.159264 0.318528 Co\n0.943615 0.318528 0.159264 Co\n0.443615 0.159264 0.840736 Co\n0.443615 0.681472 0.840736 Co\n0.998757 0.000000 0.000000 Co\n0.498757 0.000000 0.000000 Co\n0.974357 0.666667 0.333333 Sn\n0.474357 0.333333 0.666667 Sn\n0.572627 0.829065 0.658129 Sn\n0.572627 0.829065 0.170935 Sn\n0.072627 0.170935 0.341871 Sn\n0.572627 0.341871 0.170935 Sn\n0.072627 0.170935 0.829065 Sn\n0.072627 0.658129 0.829065 Sn\n","nsites":30,"nelements":3,"elements":["Tb","Co","Sn"],"chemical_system":"Co-Sn-Tb","density":9.21626238278668,"density_atomic":0.058501524767874596,"volume":512.8071468057553,"volume_molar":10.29398940266081,"formula_full":"Tb6 Co16 Sn8","formula_reduced":"Tb3(Co2Sn)4","formula_anonymous":"A3B4C8","energy":-182.69803441,"energy_per_atom":-6.089934480333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.69803441,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.5764089,"is_theoretical":true,"updated_at":"2021-11-28T01:38:37.163000Z","spacegroup":186},{"id":"mp-1221061","created_at":"2022-09-04T14:48:14.542889Z","structure_string":"Na3 Dy3 Ir3 O12\n1.0\n0.000000 0.000000 -3.251557\n-9.381022 -0.144238 0.000000\n-4.565597 8.196321 0.000000\nNa Dy Ir O\n3 3 3 12\ndirect\n0.000000 0.020621 0.979379 Na\n0.500000 0.300923 0.000218 Na\n0.500000 0.999782 0.699077 Na\n0.500000 0.314610 0.342496 Dy\n0.500000 0.657504 0.685390 Dy\n0.500000 0.702265 0.297735 Dy\n0.000000 0.332661 0.667339 Ir\n0.000000 0.673406 0.003089 Ir\n0.000000 0.996911 0.326594 Ir\n0.500000 0.462486 0.537514 O\n0.500000 0.546205 0.999658 O\n0.500000 0.000342 0.453795 O\n0.000000 0.464878 0.785438 O\n0.000000 0.783607 0.758981 O\n0.000000 0.743366 0.450583 O\n0.000000 0.214562 0.535122 O\n0.000000 0.241019 0.216393 O\n0.000000 0.549417 0.256634 O\n0.500000 0.202405 0.797595 O\n0.500000 0.806739 0.013808 O\n0.500000 0.986192 0.193261 O\n","nsites":21,"nelements":4,"elements":["Na","Dy","Ir","O"],"chemical_system":"Dy-Ir-Na-O","density":8.726454587284605,"density_atomic":0.08328275442450132,"volume":252.1530435095926,"volume_molar":7.2309577194151,"formula_full":"Na3 Dy3 Ir3 O12","formula_reduced":"NaDyIrO4","formula_anonymous":"ABCD4","energy":-152.65008259,"energy_per_atom":-7.269051551904762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.40608259,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5681253,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.735000Z","spacegroup":38},{"id":"mp-780413","created_at":"2022-09-04T14:48:14.497678Z","structure_string":"Na12 Co4 B8 S2 O32\n1.0\n0.000000 6.916726 6.916726\n6.916726 0.000000 6.916726\n6.916726 6.916726 0.000000\nNa Co B S O\n12 4 8 2 32\ndirect\n0.218307 0.218307 0.781693 Na\n0.781693 0.218307 0.218307 Na\n0.218307 0.781693 0.218307 Na\n0.781693 0.218307 0.781693 Na\n0.468307 0.468307 0.031693 Na\n0.031693 0.468307 0.468307 Na\n0.218307 0.781693 0.781693 Na\n0.781693 0.781693 0.218307 Na\n0.468307 0.031693 0.468307 Na\n0.031693 0.468307 0.031693 Na\n0.031693 0.031693 0.468307 Na\n0.468307 0.031693 0.031693 Na\n0.625000 0.125000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.125000 Co\n0.625000 0.625000 0.625000 Co\n0.415776 0.415776 0.415776 B\n0.752672 0.415776 0.415776 B\n0.415776 0.415776 0.752672 B\n0.415776 0.752672 0.415776 B\n0.834224 0.497328 0.834224 B\n0.834224 0.834224 0.497328 B\n0.497328 0.834224 0.834224 B\n0.834224 0.834224 0.834224 B\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 S\n0.187510 0.187510 0.187510 O\n0.187510 0.187510 0.437470 O\n0.437470 0.187510 0.187510 O\n0.187510 0.437470 0.187510 O\n0.445845 0.257947 0.534077 O\n0.534077 0.445845 0.257947 O\n0.762131 0.257947 0.445845 O\n0.257947 0.534077 0.445845 O\n0.534077 0.257947 0.762131 O\n0.257947 0.445845 0.762131 O\n0.762131 0.534077 0.257947 O\n0.762131 0.445845 0.534077 O\n0.445845 0.762131 0.257947 O\n0.445845 0.534077 0.762131 O\n0.257947 0.762131 0.534077 O\n0.715923 0.487869 0.804155 O\n0.534077 0.762131 0.445845 O\n0.992053 0.487869 0.715923 O\n0.804155 0.715923 0.487869 O\n0.804155 0.487869 0.992053 O\n0.487869 0.804155 0.715923 O\n0.487869 0.715923 0.992053 O\n0.992053 0.804155 0.487869 O\n0.715923 0.992053 0.487869 O\n0.992053 0.715923 0.804155 O\n0.487869 0.992053 0.804155 O\n0.715923 0.804155 0.992053 O\n0.804155 0.992053 0.715923 O\n0.062490 0.812530 0.062490 O\n0.062490 0.062490 0.812530 O\n0.812530 0.062490 0.062490 O\n0.062490 0.062490 0.062490 O\n","nsites":58,"nelements":5,"elements":["Na","Co","B","S","O"],"chemical_system":"B-Co-Na-O-S","density":2.946203366020532,"density_atomic":0.08763877176785093,"volume":661.8075405442469,"volume_molar":6.871548560667003,"formula_full":"Na12 Co4 B8 S2 O32","formula_reduced":"Na6Co2B4SO16","formula_anonymous":"AB2C4D6E16","energy":-389.18005079,"energy_per_atom":-6.710000875689655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.64405079,"band_gap":0.1406999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0004499,"is_theoretical":true,"updated_at":"2021-11-28T01:38:33.688000Z","spacegroup":203},{"id":"mp-1036211","created_at":"2022-09-04T14:48:14.534825Z","structure_string":"Ba1 Mg14 Mn1 O16\n1.0\n4.519674 0.000000 0.000000\n0.000000 8.762753 0.000000\n0.000000 0.000000 8.798146\nBa Mg Mn O\n1 14 1 16\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.236717 Mg\n0.500000 0.000000 0.763283 Mg\n0.500000 0.500000 0.247580 Mg\n0.500000 0.500000 0.752420 Mg\n0.500000 0.254145 0.000000 Mg\n0.500000 0.264455 0.500000 Mg\n0.500000 0.745855 0.000000 Mg\n0.500000 0.735545 0.500000 Mg\n0.000000 0.260634 0.242136 Mg\n0.000000 0.260634 0.757864 Mg\n0.000000 0.739366 0.242136 Mg\n0.000000 0.739366 0.757864 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.264665 0.000000 O\n0.000000 0.281022 0.500000 O\n0.000000 0.735335 0.000000 O\n0.000000 0.718978 0.500000 O\n0.500000 0.250537 0.249303 O\n0.500000 0.250537 0.750697 O\n0.500000 0.749463 0.249303 O\n0.500000 0.749463 0.750697 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.224613 O\n0.000000 0.000000 0.775387 O\n0.000000 0.500000 0.244359 O\n0.000000 0.500000 0.755641 O\n","nsites":32,"nelements":4,"elements":["Ba","Mg","Mn","O"],"chemical_system":"Ba-Mg-Mn-O","density":3.757733393604137,"density_atomic":0.09183561377211118,"volume":348.4486974672763,"volume_molar":6.557522199333104,"formula_full":"Ba1 Mg14 Mn1 O16","formula_reduced":"BaMg14MnO16","formula_anonymous":"ABC14D16","energy":-201.64112382,"energy_per_atom":-6.301285119375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.98112382,"band_gap":0.5995999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0091589,"is_theoretical":true,"updated_at":"2021-11-28T01:38:39.483000Z","spacegroup":47},{"id":"mp-1213128","created_at":"2022-09-04T14:48:14.539389Z","structure_string":"Mn8 Al16 Si8 O40\n1.0\n0.000000 0.000000 -5.484732\n-7.328042 -13.277737 0.000000\n-7.328042 13.277737 0.000000\nMn Al Si O\n8 16 8 40\ndirect\n0.760474 0.810340 0.143041 Mn\n0.760474 0.189660 0.856959 Mn\n0.239526 0.856959 0.189660 Mn\n0.739526 0.689660 0.356959 Mn\n0.239526 0.143041 0.810340 Mn\n0.739526 0.310340 0.643041 Mn\n0.260474 0.643041 0.310340 Mn\n0.260474 0.356959 0.689660 Mn\n0.664314 0.526223 0.598945 Al\n0.664314 0.473777 0.401055 Al\n0.335686 0.401055 0.473777 Al\n0.835686 0.973777 0.901055 Al\n0.335686 0.598945 0.526223 Al\n0.835686 0.026223 0.098945 Al\n0.164314 0.098945 0.026223 Al\n0.164314 0.901055 0.973777 Al\n0.663038 0.570914 0.102437 Al\n0.663038 0.429086 0.897563 Al\n0.336962 0.897563 0.429086 Al\n0.836962 0.929086 0.397563 Al\n0.336962 0.102437 0.570914 Al\n0.836962 0.070914 0.602437 Al\n0.163038 0.602437 0.070914 Al\n0.163038 0.397563 0.929086 Al\n0.855404 0.567009 0.814537 Si\n0.855404 0.432991 0.185463 Si\n0.144596 0.185463 0.432991 Si\n0.644596 0.932991 0.685463 Si\n0.144596 0.814537 0.567009 Si\n0.644596 0.067009 0.314537 Si\n0.355404 0.314537 0.067009 Si\n0.355404 0.685463 0.932991 Si\n0.838062 0.559091 0.704186 O\n0.838062 0.440909 0.295814 O\n0.161938 0.295814 0.440909 O\n0.661938 0.940909 0.795814 O\n0.161938 0.704186 0.559091 O\n0.661938 0.059091 0.204186 O\n0.338062 0.204186 0.059091 O\n0.338062 0.795814 0.940909 O\n0.875506 0.671627 0.121366 O\n0.875506 0.328373 0.878634 O\n0.124494 0.878634 0.328373 O\n0.624494 0.828373 0.378634 O\n0.124494 0.121366 0.671627 O\n0.624494 0.171626 0.621366 O\n0.375506 0.621366 0.171626 O\n0.375506 0.378634 0.828373 O\n0.630336 0.639620 0.890351 O\n0.630336 0.360380 0.109649 O\n0.369664 0.109649 0.360380 O\n0.869664 0.860380 0.609649 O\n0.369664 0.890351 0.639620 O\n0.869664 0.139620 0.390351 O\n0.130336 0.390351 0.139620 O\n0.130336 0.609649 0.860380 O\n0.827255 0.452232 0.801947 O\n0.827255 0.547768 0.198053 O\n0.172745 0.198053 0.547768 O\n0.672745 0.047768 0.698053 O\n0.172745 0.801947 0.452232 O\n0.672745 0.952232 0.301947 O\n0.327255 0.301947 0.952232 O\n0.327255 0.698053 0.047768 O\n0.827775 0.902933 0.969916 O\n0.827775 0.097067 0.030084 O\n0.172225 0.030084 0.097067 O\n0.672225 0.597067 0.530084 O\n0.172225 0.969916 0.902933 O\n0.672225 0.402933 0.469916 O\n0.327775 0.469916 0.402933 O\n0.327775 0.530084 0.597067 O\n","nsites":72,"nelements":4,"elements":["Mn","Al","Si","O"],"chemical_system":"Al-Mn-O-Si","density":2.7006519665260837,"density_atomic":0.0674582510616331,"volume":1067.3268112779465,"volume_molar":8.92721152005243,"formula_full":"Mn8 Al16 Si8 O40","formula_reduced":"MnAl2SiO5","formula_anonymous":"ABC2D5","energy":-557.73026562,"energy_per_atom":-7.746253689166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-516.90626562,"band_gap":0.3445999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":39.9994602,"is_theoretical":true,"updated_at":"2021-11-28T01:38:45.694000Z","spacegroup":68},{"id":"mp-1032731","created_at":"2022-09-04T14:48:14.545482Z","structure_string":"Y1 Mg6 Co1 O8\n1.0\n8.796801 0.000000 0.000000\n0.000000 4.382886 0.000000\n0.000000 0.000000 4.382886\nY Mg Co O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259828 0.000000 0.500000 Mg\n0.740172 0.000000 0.500000 Mg\n0.259828 0.500000 0.000000 Mg\n0.740172 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Co\n0.261201 0.000000 0.000000 O\n0.738799 0.000000 0.000000 O\n0.265530 0.500000 0.500000 O\n0.734470 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Y","Mg","Co","O"],"chemical_system":"Co-Mg-O-Y","density":4.143532572001438,"density_atomic":0.09468362260920915,"volume":168.9838174658497,"volume_molar":6.360277093384334,"formula_full":"Y1 Mg6 Co1 O8","formula_reduced":"YMg6CoO8","formula_anonymous":"ABC6D8","energy":-107.83634018,"energy_per_atom":-6.73977126125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.70234018,"band_gap":2.394000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9999975,"is_theoretical":true,"updated_at":"2021-11-28T01:40:11.222000Z","spacegroup":123},{"id":"mp-559435","created_at":"2022-09-04T14:48:14.575041Z","structure_string":"Co2 F6\n1.0\n2.739604 1.581259 -4.310578\n2.738053 -1.581700 4.309394\n0.001158 -3.162498 -4.309811\nCo F\n2 6\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.249810 0.249802 0.750213 F\n0.750190 0.750230 0.249818 F\n0.749828 0.749861 0.749825 F\n0.250203 0.250139 0.250143 F\n0.749918 0.250005 0.250027 F\n0.250050 0.749964 0.749973 F\n","nsites":8,"nelements":2,"elements":["Co","F"],"chemical_system":"Co-F","density":3.437649063981104,"density_atomic":0.07143031641075694,"volume":111.99726393477451,"volume_molar":8.430791101876046,"formula_full":"Co2 F6","formula_reduced":"CoF3","formula_anonymous":"AB3","energy":-42.920552820000005,"energy_per_atom":-5.365069102500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.87255282,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:45.694000Z","spacegroup":221},{"id":"mp-1042596","created_at":"2022-09-04T14:48:14.539876Z","structure_string":"Ca8 Co8 Mo16 O56\n1.0\n15.296454 0.000000 0.000000\n0.000000 7.179464 0.000000\n0.000000 2.063202 11.432899\nCa Co Mo O\n8 8 16 56\ndirect\n0.517602 0.904005 0.717682 Ca\n0.869021 0.694925 0.973168 Ca\n0.369021 0.305075 0.526832 Ca\n0.130979 0.305075 0.026832 Ca\n0.630979 0.694925 0.473168 Ca\n0.982398 0.904005 0.217682 Ca\n0.482398 0.095995 0.282318 Ca\n0.017602 0.095995 0.782318 Ca\n0.655236 0.345232 0.086761 Co\n0.155236 0.654768 0.413239 Co\n0.344764 0.654768 0.913239 Co\n0.844764 0.345232 0.586761 Co\n0.747005 0.008187 0.248519 Co\n0.247005 0.991813 0.251481 Co\n0.252995 0.991813 0.751480 Co\n0.752995 0.008187 0.748520 Co\n0.875595 0.169680 0.985380 Mo\n0.027340 0.578933 0.697153 Mo\n0.472660 0.578933 0.197153 Mo\n0.972660 0.421067 0.302847 Mo\n0.724443 0.495461 0.801636 Mo\n0.224443 0.504539 0.698364 Mo\n0.275557 0.504539 0.198364 Mo\n0.775557 0.495461 0.301636 Mo\n0.527340 0.421067 0.802847 Mo\n0.136736 0.132610 0.484396 Mo\n0.636736 0.867390 0.015604 Mo\n0.863264 0.867390 0.515604 Mo\n0.375595 0.830320 0.514620 Mo\n0.624405 0.169680 0.485380 Mo\n0.124405 0.830320 0.014620 Mo\n0.363264 0.132610 0.984396 Mo\n0.992728 0.222850 0.956157 O\n0.492728 0.777150 0.543843 O\n0.007272 0.777150 0.043843 O\n0.507272 0.222850 0.456157 O\n0.858178 0.013595 0.872896 O\n0.358178 0.986405 0.627104 O\n0.141822 0.986405 0.127104 O\n0.641822 0.013595 0.372896 O\n0.849277 0.005184 0.122894 O\n0.349277 0.994816 0.377106 O\n0.150723 0.994816 0.877106 O\n0.650723 0.005184 0.622894 O\n0.282095 0.312294 0.955885 O\n0.782095 0.687706 0.544115 O\n0.717905 0.687706 0.044115 O\n0.217905 0.312294 0.455885 O\n0.364751 0.033489 0.138130 O\n0.864751 0.966511 0.361870 O\n0.635249 0.966511 0.861870 O\n0.135249 0.033489 0.638130 O\n0.343984 0.948280 0.898096 O\n0.453169 0.624197 0.821900 O\n0.843984 0.051720 0.601904 O\n0.156016 0.948280 0.398096 O\n0.496966 0.257944 0.709179 O\n0.996966 0.742056 0.790821 O\n0.503034 0.742056 0.290821 O\n0.003034 0.257944 0.209179 O\n0.468698 0.239336 0.949044 O\n0.968698 0.760664 0.550956 O\n0.531302 0.760664 0.050956 O\n0.031302 0.239336 0.449044 O\n0.889737 0.585157 0.202091 O\n0.389737 0.414843 0.297909 O\n0.110263 0.414843 0.797909 O\n0.610263 0.585157 0.702091 O\n0.740965 0.301773 0.210647 O\n0.240965 0.698227 0.289353 O\n0.259035 0.698227 0.789353 O\n0.759035 0.301773 0.710647 O\n0.685568 0.399224 0.445919 O\n0.185568 0.600776 0.054081 O\n0.314432 0.600776 0.554081 O\n0.814432 0.399224 0.945919 O\n0.718913 0.731563 0.295554 O\n0.218913 0.268437 0.204446 O\n0.281087 0.268437 0.704446 O\n0.781087 0.731563 0.795554 O\n0.871820 0.406808 0.416079 O\n0.371820 0.593192 0.083921 O\n0.128180 0.593192 0.583921 O\n0.628180 0.406808 0.916079 O\n0.046831 0.624197 0.321900 O\n0.546831 0.375803 0.178100 O\n0.953169 0.375803 0.678100 O\n0.656016 0.051720 0.101904 O\n","nsites":88,"nelements":4,"elements":["Ca","Co","Mo","O"],"chemical_system":"Ca-Co-Mo-O","density":4.262684395882837,"density_atomic":0.07008797591485053,"volume":1255.5648647481373,"volume_molar":8.592259487299598,"formula_full":"Ca8 Co8 Mo16 O56","formula_reduced":"CaCoMo2O7","formula_anonymous":"ABC2D7","energy":-694.54763272,"energy_per_atom":-7.892586735454546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-591.73963272,"band_gap":1.1849999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7329585,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.570000Z","spacegroup":14},{"id":"mp-1019107","created_at":"2022-09-04T14:48:14.708548Z","structure_string":"Pu2 Te4\n1.0\n4.406504 0.000000 0.000000\n0.000000 4.406504 0.000000\n0.000000 0.000000 8.741928\nPu Te\n2 4\ndirect\n0.000000 0.500000 0.726465 Pu\n0.500000 0.000000 0.273535 Pu\n0.000000 0.500000 0.363347 Te\n0.500000 0.000000 0.636653 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n","nsites":6,"nelements":2,"elements":["Pu","Te"],"chemical_system":"Pu-Te","density":9.766930720940591,"density_atomic":0.03534725457632134,"volume":169.7444418786437,"volume_molar":17.037082037013853,"formula_full":"Pu2 Te4","formula_reduced":"PuTe2","formula_anonymous":"AB2","energy":-48.40361966,"energy_per_atom":-8.067269943333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.71561966,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.2688692,"is_theoretical":false,"updated_at":"2021-11-28T01:38:44.109000Z","spacegroup":129},{"id":"mp-1077930","created_at":"2022-09-04T14:48:14.801470Z","structure_string":"Ta1 Mn2 B4\n1.0\n-1.521457 1.579732 6.453861\n1.521457 -1.579732 6.453861\n1.521457 1.579732 -6.453861\nTa Mn B\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ta\n0.187681 0.187681 0.000000 Mn\n0.812319 0.812319 0.000000 Mn\n0.353240 0.353240 0.000000 B\n0.646760 0.646760 0.000000 B\n0.427300 0.927300 0.500000 B\n0.572700 0.072700 0.500000 B\n","nsites":7,"nelements":3,"elements":["Ta","Mn","B"],"chemical_system":"B-Mn-Ta","density":8.94048828388427,"density_atomic":0.11281720677711697,"volume":62.04727275183549,"volume_molar":5.337963004080941,"formula_full":"Ta1 Mn2 B4","formula_reduced":"Ta(MnB2)2","formula_anonymous":"AB2C4","energy":-61.02160949,"energy_per_atom":-8.717372784285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.02160949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.900236,"is_theoretical":false,"updated_at":"2021-11-28T01:39:56.482000Z","spacegroup":71},{"id":"mp-1245768","created_at":"2022-09-04T14:48:14.568233Z","structure_string":"Mg4 Cd2 N4\n1.0\n7.927519 0.000000 0.000000\n0.000000 7.927519 0.000000\n0.000000 0.000000 7.927519\nMg Cd N\n4 2 4\ndirect\n0.302224 0.302224 0.697776 Mg\n0.302224 0.697776 0.302224 Mg\n0.697776 0.302224 0.302224 Mg\n0.697776 0.697776 0.697776 Mg\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.157349 0.157349 0.842651 N\n0.157349 0.842651 0.157349 N\n0.842651 0.157349 0.157349 N\n0.842651 0.842651 0.842651 N\n","nsites":10,"nelements":3,"elements":["Mg","Cd","N"],"chemical_system":"Cd-Mg-N","density":1.260108849550449,"density_atomic":0.020071883391427455,"volume":498.2093511100668,"volume_molar":30.002868403330844,"formula_full":"Mg4 Cd2 N4","formula_reduced":"Mg2CdN2","formula_anonymous":"AB2C2","energy":-26.77014844,"energy_per_atom":-2.677014844,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.326148440000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0016558,"is_theoretical":true,"updated_at":"2021-11-28T01:38:40.234000Z","spacegroup":215},{"id":"mp-724868","created_at":"2022-09-04T14:48:14.583117Z","structure_string":"V2 P4 O12\n1.0\n4.057318 6.109173 0.000000\n-4.057318 6.109173 0.000000\n0.000000 4.510664 6.881875\nV P O\n2 4 12\ndirect\n0.763397 0.236603 0.250000 V\n0.236603 0.763397 0.750000 V\n0.489582 0.066981 0.744877 P\n0.933019 0.510418 0.755123 P\n0.510418 0.933019 0.255123 P\n0.066981 0.489582 0.244877 P\n0.629099 0.098413 0.532891 O\n0.901587 0.370901 0.967109 O\n0.370901 0.901587 0.467109 O\n0.098413 0.629099 0.032891 O\n0.666074 0.066471 0.188386 O\n0.933529 0.333926 0.311614 O\n0.333926 0.933529 0.811614 O\n0.066471 0.666074 0.688386 O\n0.999622 0.000378 0.250000 O\n0.000378 0.999622 0.750000 O\n0.558770 0.441230 0.250000 O\n0.441230 0.558770 0.750000 O\n","nsites":18,"nelements":3,"elements":["V","P","O"],"chemical_system":"O-P-V","density":2.0334288553804125,"density_atomic":0.05276115061575819,"volume":341.16011098939026,"volume_molar":11.41396783375184,"formula_full":"V2 P4 O12","formula_reduced":"V(PO3)2","formula_anonymous":"AB2C6","energy":-129.59620133,"energy_per_atom":-7.199788962777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.95220133,"band_gap":0.6557,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.999309,"is_theoretical":false,"updated_at":"2021-11-28T01:38:47.182000Z","spacegroup":15}]}