{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10208","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10206","results":[{"id":"mp-756434","created_at":"2022-09-04T14:46:11.937492Z","structure_string":"Li4 Fe2 Ni4 O12\n1.0\n2.554681 -4.205911 0.000000\n2.554681 4.205911 0.000000\n0.000000 0.000000 9.924065\nLi Fe Ni O\n4 2 4 12\ndirect\n0.632743 0.132743 0.750000 Li\n0.867257 0.367257 0.250000 Li\n0.132743 0.632743 0.750000 Li\n0.367257 0.867257 0.250000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.835137 0.164863 0.500000 Ni\n0.664863 0.335137 0.000000 Ni\n0.335137 0.664863 0.000000 Ni\n0.164863 0.835137 0.500000 Ni\n0.690516 0.032864 0.107595 O\n0.309484 0.967136 0.892405 O\n0.532864 0.190516 0.392405 O\n0.809484 0.467136 0.607595 O\n0.174479 0.174479 0.595580 O\n0.325521 0.325521 0.095580 O\n0.674479 0.674479 0.904420 O\n0.967136 0.309484 0.892405 O\n0.825521 0.825521 0.404420 O\n0.190516 0.532864 0.392405 O\n0.467136 0.809484 0.607595 O\n0.032864 0.690516 0.107595 O\n","nsites":22,"nelements":4,"elements":["Li","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O","density":4.408778269490924,"density_atomic":0.10315881116415673,"volume":213.2634115469921,"volume_molar":5.837737651335436,"formula_full":"Li4 Fe2 Ni4 O12","formula_reduced":"Li2Fe(NiO3)2","formula_anonymous":"AB2C2D6","energy":-137.72587626,"energy_per_atom":-6.260267102727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.80587626,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0001902,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.771000Z","spacegroup":64},{"id":"mp-1096318","created_at":"2022-09-04T14:46:11.939259Z","structure_string":"Li1 Sc1 Zn2\n1.0\n-5.468998 5.654104 8.137668\n5.468998 -5.654104 8.137668\n5.468998 5.654104 -8.137668\nLi Sc Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.242259 0.242259 Zn\n0.000000 0.757741 0.757741 Zn\n","nsites":4,"nelements":3,"elements":["Li","Sc","Zn"],"chemical_system":"Li-Sc-Zn","density":0.3014335404898126,"density_atomic":0.003974005605502261,"volume":1006.54110665112,"volume_molar":151.53830562448042,"formula_full":"Li1 Sc1 Zn2","formula_reduced":"LiScZn2","formula_anonymous":"ABC2","energy":-4.79371333,"energy_per_atom":-1.1984283325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.79371333,"band_gap":0.1336999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999527,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.815000Z","spacegroup":71},{"id":"mp-1111369","created_at":"2022-09-04T14:46:11.942335Z","structure_string":"K2 Tl1 Pd1 F6\n1.0\n0.000000 4.560358 4.560358\n4.560358 0.000000 4.560358\n4.560358 4.560358 0.000000\nK Tl Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n0.230449 0.230449 0.769551 F\n0.230449 0.769551 0.769551 F\n0.769551 0.769551 0.230449 F\n0.230449 0.769551 0.230449 F\n0.769551 0.230449 0.769551 F\n0.769551 0.230449 0.230449 F\n","nsites":10,"nelements":4,"elements":["K","Tl","Pd","F"],"chemical_system":"F-K-Pd-Tl","density":4.403336918895718,"density_atomic":0.052719731844212005,"volume":189.6823001594588,"volume_molar":11.422935112408316,"formula_full":"K2 Tl1 Pd1 F6","formula_reduced":"K2TlPdF6","formula_anonymous":"ABC2D6","energy":-43.92036286,"energy_per_atom":-4.392036286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.14836286,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000099,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.678000Z","spacegroup":225},{"id":"mp-761656","created_at":"2022-09-04T14:46:11.922972Z","structure_string":"Li8 Co2 P4 O16\n1.0\n-1.219813 5.183655 0.129630\n-5.110647 -1.241759 6.235494\n4.535318 -0.585138 6.054959\nLi Co P O\n8 2 4 16\ndirect\n0.290319 0.176010 0.349384 Li\n0.290325 0.676003 0.849392 Li\n0.709682 0.823990 0.650617 Li\n0.709674 0.323998 0.150608 Li\n0.562255 0.962171 0.223635 Li\n0.562145 0.462221 0.723571 Li\n0.437742 0.037832 0.776361 Li\n0.437856 0.537780 0.276429 Li\n0.999999 0.499999 0.500000 Co\n0.999998 0.999999 0.999999 Co\n0.817568 0.186319 0.541323 P\n0.817514 0.686287 0.041317 P\n0.182433 0.813681 0.458675 P\n0.182484 0.313712 0.958681 P\n0.678240 0.354411 0.549897 O\n0.678201 0.854425 0.049908 O\n0.321755 0.645594 0.450104 O\n0.321797 0.145578 0.950095 O\n0.675281 0.128748 0.371487 O\n0.675228 0.628735 0.871456 O\n0.324717 0.871249 0.628508 O\n0.324769 0.371264 0.128543 O\n0.190110 0.957517 0.280912 O\n0.190070 0.457544 0.780913 O\n0.809891 0.042478 0.719094 O\n0.809930 0.542453 0.219092 O\n0.093639 0.235430 0.518875 O\n0.093635 0.735489 0.018842 O\n0.906370 0.764570 0.481125 O\n0.906370 0.264510 0.981159 O\n","nsites":30,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":2.936790789887268,"density_atomic":0.09589596246312809,"volume":312.83903127344877,"volume_molar":6.279868938502502,"formula_full":"Li8 Co2 P4 O16","formula_reduced":"Li4Co(PO4)2","formula_anonymous":"AB2C4D8","energy":-206.23897271,"energy_per_atom":-6.874632423666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.97097271,"band_gap":2.8352,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001055,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.032000Z","spacegroup":2},{"id":"mp-1522426","created_at":"2022-09-04T14:46:11.942895Z","structure_string":"Ba8 La4 W4 O24\n1.0\n8.743618 -0.000000 0.000000\n-0.000000 8.743618 -0.000000\n0.000000 -0.000000 8.743618\nBa La W O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 -0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.750000 0.250000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.250000 0.250000 W\n0.250000 0.750000 0.750000 W\n0.750000 0.250000 0.750000 W\n0.750000 0.750000 0.250000 W\n0.224539 0.273173 0.479305 O\n0.224539 0.726827 0.520695 O\n0.775461 0.273173 0.520695 O\n0.775461 0.726827 0.479305 O\n0.273173 0.479305 0.224539 O\n0.726827 0.520695 0.224539 O\n0.273173 0.520695 0.775461 O\n0.726827 0.479305 0.775461 O\n0.479305 0.224539 0.273173 O\n0.520695 0.224539 0.726827 O\n0.520695 0.775461 0.273173 O\n0.479305 0.775461 0.726827 O\n0.275461 0.226827 0.020695 O\n0.275461 0.773173 0.979305 O\n0.724539 0.226827 0.979305 O\n0.724539 0.773173 0.020695 O\n0.226827 0.020695 0.275461 O\n0.773173 0.979305 0.275461 O\n0.226827 0.979305 0.724539 O\n0.773173 0.020695 0.724539 O\n0.020695 0.275461 0.226827 O\n0.979305 0.275461 0.773173 O\n0.979305 0.724539 0.226827 O\n0.020695 0.724539 0.773173 O\n","nsites":40,"nelements":4,"elements":["Ba","La","W","O"],"chemical_system":"Ba-La-O-W","density":6.889961783182339,"density_atomic":0.05983929454855782,"volume":668.4570782755666,"volume_molar":10.0638565434845,"formula_full":"Ba8 La4 W4 O24","formula_reduced":"Ba2LaWO6","formula_anonymous":"ABC2D6","energy":-328.27473666000003,"energy_per_atom":-8.2068684165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.03473666,"band_gap":1.9219,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.410000Z","spacegroup":201},{"id":"mp-1078899","created_at":"2022-09-04T14:46:11.943830Z","structure_string":"Lu4 Ni4\n1.0\n4.080225 0.000000 0.000000\n0.000000 5.308265 0.000000\n0.000000 0.000000 6.909041\nLu Ni\n4 4\ndirect\n0.250000 0.373168 0.679025 Lu\n0.250000 0.126832 0.179025 Lu\n0.750000 0.626832 0.320975 Lu\n0.750000 0.873168 0.820975 Lu\n0.250000 0.876548 0.536451 Ni\n0.250000 0.623452 0.036451 Ni\n0.750000 0.123452 0.463549 Ni\n0.750000 0.376548 0.963549 Ni\n","nsites":8,"nelements":2,"elements":["Lu","Ni"],"chemical_system":"Lu-Ni","density":10.371455936386425,"density_atomic":0.053460806843299874,"volume":149.64233561698708,"volume_molar":11.26459010925822,"formula_full":"Lu4 Ni4","formula_reduced":"LuNi","formula_anonymous":"AB","energy":-45.38588903,"energy_per_atom":-5.67323612875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.38588903,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0114999,"is_theoretical":false,"updated_at":"2021-11-28T01:37:24.086000Z","spacegroup":62},{"id":"mp-1034537","created_at":"2022-09-04T14:46:11.955636Z","structure_string":"Mg14 V1 C1 O16\n1.0\n8.484757 0.000000 0.000000\n0.000000 8.781570 0.000000\n0.000000 0.000000 4.201549\nMg V C O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.260132 0.500000 Mg\n0.000000 0.739868 0.500000 Mg\n0.500000 0.251817 0.500000 Mg\n0.500000 0.748183 0.500000 Mg\n0.252651 0.000000 0.500000 Mg\n0.246127 0.500000 0.500000 Mg\n0.747349 0.000000 0.500000 Mg\n0.753873 0.500000 0.500000 Mg\n0.246717 0.255771 0.000000 Mg\n0.246717 0.744229 0.000000 Mg\n0.753283 0.255771 0.000000 Mg\n0.753283 0.744229 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 C\n0.251377 0.000000 0.000000 O\n0.256066 0.500000 0.000000 O\n0.748623 0.000000 0.000000 O\n0.743934 0.500000 0.000000 O\n0.247487 0.251090 0.500000 O\n0.247487 0.748910 0.500000 O\n0.752513 0.251090 0.500000 O\n0.752513 0.748910 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.220899 0.000000 O\n0.000000 0.779101 0.000000 O\n0.500000 0.248898 0.000000 O\n0.500000 0.751102 0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","V","C","O"],"chemical_system":"C-Mg-O-V","density":3.4966614700833367,"density_atomic":0.1022183742006745,"volume":313.0552628158396,"volume_molar":5.891446432299313,"formula_full":"Mg14 V1 C1 O16","formula_reduced":"Mg14VCO16","formula_anonymous":"ABC14D16","energy":-205.26236089,"energy_per_atom":-6.4144487778125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.57036089,"band_gap":2.6329,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9999997,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.995000Z","spacegroup":47},{"id":"mp-557610","created_at":"2022-09-04T14:46:11.960069Z","structure_string":"K2 Mn1 F4\n1.0\n-2.125101 2.125101 6.729792\n2.125101 -2.125101 6.729792\n2.125101 2.125101 -6.729792\nK Mn F\n2 1 4\ndirect\n0.353736 0.353736 0.000000 K\n0.646264 0.646264 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.158897 0.158897 0.000000 F\n0.841103 0.841103 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n","nsites":7,"nelements":3,"elements":["K","Mn","F"],"chemical_system":"F-K-Mn","density":2.8565447548124703,"density_atomic":0.05758074184399217,"volume":121.56842332746642,"volume_molar":10.458602246418147,"formula_full":"K2 Mn1 F4","formula_reduced":"K2MnF4","formula_anonymous":"AB2C4","energy":-40.01673742,"energy_per_atom":-5.716676774285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.50073742,"band_gap":2.8070000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0006793,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.434000Z","spacegroup":139},{"id":"mp-1095059","created_at":"2022-09-04T14:46:11.980700Z","structure_string":"In2 Ga2 Se4\n1.0\n-4.070546 4.070546 3.212646\n4.070546 -4.070546 3.212646\n4.070546 4.070546 -3.212646\nIn Ga Se\n2 2 4\ndirect\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.162266 0.662266 0.824532 Se\n0.837734 0.337734 0.175468 Se\n0.337734 0.162266 0.500000 Se\n0.662266 0.837734 0.500000 Se\n","nsites":8,"nelements":3,"elements":["In","Ga","Se"],"chemical_system":"Ga-In-Se","density":5.341485022285088,"density_atomic":0.03757178152577821,"volume":212.92575638211767,"volume_molar":16.02836095453226,"formula_full":"In2 Ga2 Se4","formula_reduced":"InGaSe2","formula_anonymous":"ABC2","energy":-31.3297666,"energy_per_atom":-3.916220825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.4417666,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.46e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:23.594000Z","spacegroup":140},{"id":"mp-770767","created_at":"2022-09-04T14:46:11.982449Z","structure_string":"Sm4 Cu4 O12\n1.0\n5.361460 0.000000 0.000000\n0.000000 6.329767 0.000000\n0.000000 0.000000 7.197409\nSm Cu O\n4 4 12\ndirect\n0.974665 0.102494 0.250000 Sm\n0.474665 0.397506 0.750000 Sm\n0.525335 0.602494 0.250000 Sm\n0.025335 0.897506 0.750000 Sm\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.611631 0.034033 0.750000 O\n0.214002 0.158297 0.548391 O\n0.214002 0.158297 0.951609 O\n0.714002 0.341703 0.451609 O\n0.714002 0.341703 0.048391 O\n0.111631 0.465967 0.250000 O\n0.888369 0.534033 0.750000 O\n0.285998 0.658297 0.951609 O\n0.285998 0.658297 0.548391 O\n0.785998 0.841703 0.048391 O\n0.785998 0.841703 0.451609 O\n0.388369 0.965967 0.250000 O\n","nsites":20,"nelements":3,"elements":["Sm","Cu","O"],"chemical_system":"Cu-O-Sm","density":7.122042732439503,"density_atomic":0.08188097756413901,"volume":244.25697634512971,"volume_molar":7.354749465811809,"formula_full":"Sm4 Cu4 O12","formula_reduced":"SmCuO3","formula_anonymous":"ABC3","energy":-142.88872941,"energy_per_atom":-7.1444364705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.64472941,"band_gap":0.1217999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003514,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.449000Z","spacegroup":62},{"id":"mp-755569","created_at":"2022-09-04T14:46:11.992666Z","structure_string":"Co4 Pb4 O12\n1.0\n5.326255 0.000000 0.000000\n0.000000 5.430663 0.000000\n0.000000 0.000000 7.560218\nCo Pb O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.511097 0.455306 0.250000 Pb\n0.988903 0.955306 0.250000 Pb\n0.011097 0.044694 0.750000 Pb\n0.488903 0.544694 0.750000 Pb\n0.584621 0.973652 0.750000 O\n0.712605 0.714532 0.045141 O\n0.712605 0.714532 0.454859 O\n0.787395 0.214532 0.454859 O\n0.787395 0.214532 0.045141 O\n0.915379 0.473652 0.750000 O\n0.084621 0.526348 0.250000 O\n0.212605 0.785468 0.954859 O\n0.212605 0.785468 0.545141 O\n0.287395 0.285468 0.545141 O\n0.287395 0.285468 0.954859 O\n0.415379 0.026348 0.250000 O\n","nsites":20,"nelements":3,"elements":["Co","Pb","O"],"chemical_system":"Co-O-Pb","density":9.541382462844483,"density_atomic":0.09145782492721197,"volume":218.68003110633003,"volume_molar":6.58460964361749,"formula_full":"Co4 Pb4 O12","formula_reduced":"CoPbO3","formula_anonymous":"ABC3","energy":-126.57509993,"energy_per_atom":-6.3287549965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.77909993,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7015945,"is_theoretical":true,"updated_at":"2021-11-28T01:37:24.409000Z","spacegroup":62},{"id":"mp-1207805","created_at":"2022-09-04T14:46:11.965460Z","structure_string":"V2 Si6 Mo8\n1.0\n-4.832600 4.832600 2.420274\n4.832600 -4.832600 2.420274\n4.832600 4.832600 -2.420274\nV Si Mo\n2 6 8\ndirect\n0.250000 0.750000 0.500000 V\n0.750000 0.250000 0.500000 V\n0.250000 0.250000 0.000000 Si\n0.750000 0.750000 0.000000 Si\n0.162671 0.662671 0.825341 Si\n0.837329 0.337329 0.174659 Si\n0.337329 0.162671 0.500000 Si\n0.662671 0.837329 0.500000 Si\n0.078672 0.226333 0.305004 Mo\n0.921328 0.773667 0.694996 Mo\n0.773667 0.078672 0.852339 Mo\n0.421328 0.726333 0.147661 Mo\n0.226333 0.921328 0.147661 Mo\n0.578672 0.273667 0.852339 Mo\n0.726333 0.578672 0.305004 Mo\n0.273667 0.421328 0.694996 Mo\n","nsites":16,"nelements":3,"elements":["V","Si","Mo"],"chemical_system":"Mo-Si-V","density":7.622985233648121,"density_atomic":0.07076748423463147,"volume":226.09253632574496,"volume_molar":8.50975674086906,"formula_full":"V2 Si6 Mo8","formula_reduced":"VSi3Mo4","formula_anonymous":"AB3C4","energy":-144.64963359,"energy_per_atom":-9.040602099375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.07563359,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.67e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.497000Z","spacegroup":140}]}