{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=78","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=76","results":[{"id":"mp-1097348","created_at":"2022-09-04T14:39:35.634521Z","structure_string":"Zr2 Co1 Ru1\n1.0\n-4.397500 6.673823 9.561316\n4.397500 -6.673823 9.561316\n4.397500 6.673823 -9.561316\nZr Co Ru\n2 1 1\ndirect\n0.000000 0.244807 0.244807 Zr\n0.000000 0.755193 0.755193 Zr\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Zr","Co","Ru"],"chemical_system":"Co-Ru-Zr","density":0.506628466039549,"density_atomic":0.0035637054051657208,"volume":1122.427233800486,"volume_molar":168.9853698700989,"formula_full":"Zr2 Co1 Ru1","formula_reduced":"Zr2CoRu","formula_anonymous":"ABC2","energy":-21.39950042,"energy_per_atom":-5.349875105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.39950042,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001258,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.804000Z","spacegroup":71},{"id":"mp-1096025","created_at":"2022-09-04T14:42:48.489376Z","structure_string":"Ca1 Pd1 Au2\n1.0\n-5.259576 6.144988 8.679319\n5.259576 -6.144988 8.679319\n5.259576 6.144988 -8.679319\nCa Pd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Pd\n0.000000 0.251209 0.251209 Au\n0.000000 0.748791 0.748791 Au\n","nsites":4,"nelements":3,"elements":["Ca","Pd","Au"],"chemical_system":"Au-Ca-Pd","density":0.7997827724991344,"density_atomic":0.003564860790887509,"volume":1122.0634506191077,"volume_molar":168.9306010319894,"formula_full":"Ca1 Pd1 Au2","formula_reduced":"CaPdAu2","formula_anonymous":"ABC2","energy":-9.93173782,"energy_per_atom":-2.482934455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.93173782,"band_gap":1.1917999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.353000Z","spacegroup":71},{"id":"mp-1097533","created_at":"2022-09-04T14:43:14.631472Z","structure_string":"V1 Sn1 Ru2\n1.0\n-4.637719 6.106793 9.901735\n4.637719 -6.106793 9.901735\n4.637719 6.106793 -9.901735\nV Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Sn\n0.000000 0.218826 0.218826 Ru\n0.000000 0.781174 0.781174 Ru\n","nsites":4,"nelements":3,"elements":["V","Sn","Ru"],"chemical_system":"Ru-Sn-V","density":0.5503761847608724,"density_atomic":0.003565915688472858,"volume":1121.7315128706937,"volume_molar":168.88062663587672,"formula_full":"V1 Sn1 Ru2","formula_reduced":"VSnRu2","formula_anonymous":"ABC2","energy":-20.16655524,"energy_per_atom":-5.04163881,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.16655524,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.260811,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.937000Z","spacegroup":71},{"id":"mp-1093712","created_at":"2022-09-04T14:44:59.063950Z","structure_string":"Sc2 Al1 Hg1\n1.0\n-5.766908 5.874434 8.273620\n5.766908 -5.874434 8.273620\n5.766908 5.874434 -8.273620\nSc Al Hg\n2 1 1\ndirect\n0.000000 0.241612 0.241612 Sc\n0.000000 0.758388 0.758388 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sc","Al","Hg"],"chemical_system":"Al-Hg-Sc","density":0.4702247187840198,"density_atomic":0.0035677579110123476,"volume":1121.152303426609,"volume_molar":168.79342461583175,"formula_full":"Sc2 Al1 Hg1","formula_reduced":"Sc2AlHg","formula_anonymous":"ABC2","energy":-8.60337506,"energy_per_atom":-2.150843765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.60337506,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8476646,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.578000Z","spacegroup":71},{"id":"mp-1093917","created_at":"2022-09-04T14:46:53.443445Z","structure_string":"Ti2 Be1 Re1\n1.0\n-4.770232 6.578316 8.922851\n4.770232 -6.578316 8.922851\n4.770232 6.578316 -8.922851\nTi Be Re\n2 1 1\ndirect\n0.000000 0.272946 0.272946 Ti\n0.000000 0.727054 0.727054 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Re\n","nsites":4,"nelements":3,"elements":["Ti","Be","Re"],"chemical_system":"Be-Re-Ti","density":0.43137437524796335,"density_atomic":0.0035714298651637203,"volume":1119.9995942848043,"volume_molar":168.6198801981496,"formula_full":"Ti2 Be1 Re1","formula_reduced":"Ti2BeRe","formula_anonymous":"ABC2","energy":-17.9497747,"energy_per_atom":-4.487443675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.9497747,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1083265,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.011000Z","spacegroup":71},{"id":"mp-1248716","created_at":"2022-09-04T14:41:52.074761Z","structure_string":"Al2 Os1 Pd1\n1.0\n-8.232173 -0.003125 -4.757951\n-9.601492 -0.592910 7.132116\n-5.662880 10.547170 0.310236\nAl Os Pd\n2 1 1\ndirect\n0.749568 0.000040 0.000040 Al\n0.250432 0.999960 0.999960 Al\n0.500000 0.000000 0.000000 Os\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Al","Os","Pd"],"chemical_system":"Al-Os-Pd","density":0.5204355672422981,"density_atomic":0.0035756067840434272,"volume":1118.6912436374375,"volume_molar":168.42290340410256,"formula_full":"Al2 Os1 Pd1","formula_reduced":"Al2OsPd","formula_anonymous":"ABC2","energy":-14.75807907,"energy_per_atom":-3.6895197675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.75807907,"band_gap":0.3803999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0000026,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.666000Z","spacegroup":71},{"id":"mp-1097236","created_at":"2022-09-04T14:43:15.501475Z","structure_string":"Li2 Sn1 Pb1\n1.0\n-5.601537 5.935772 8.408825\n5.601537 -5.935772 8.408825\n5.601537 5.935772 -8.408825\nLi Sn Pb\n2 1 1\ndirect\n0.000000 0.247780 0.247780 Li\n0.000000 0.752220 0.752220 Li\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Li","Sn","Pb"],"chemical_system":"Li-Pb-Sn","density":0.5045248033157863,"density_atomic":0.003576681479880584,"volume":1118.3551072413497,"volume_molar":168.37229688680762,"formula_full":"Li2 Sn1 Pb1","formula_reduced":"Li2SnPb","formula_anonymous":"ABC2","energy":-6.75306449,"energy_per_atom":-1.6882661225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.75306449,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.259495,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.885000Z","spacegroup":71},{"id":"mp-1095885","created_at":"2022-09-04T14:42:05.994311Z","structure_string":"Li1 Y2 Tc1\n1.0\n-5.592547 5.955543 8.394299\n5.592547 -5.955543 8.394299\n5.592547 5.955543 -8.394299\nLi Y Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.296896 0.296896 Y\n0.000000 0.703104 0.703104 Y\n0.000000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Li","Y","Tc"],"chemical_system":"Li-Tc-Y","density":0.41983672450061416,"density_atomic":0.0035767168299843228,"volume":1118.344054096542,"volume_molar":168.3706327969608,"formula_full":"Li1 Y2 Tc1","formula_reduced":"LiY2Tc","formula_anonymous":"ABC2","energy":-15.66981394,"energy_per_atom":-3.917453485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.66981394,"band_gap":0.4317999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001982,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.627000Z","spacegroup":71},{"id":"mp-1093968","created_at":"2022-09-04T14:46:54.393238Z","structure_string":"Y2 Zn1 Pt1\n1.0\n-5.620047 5.934433 8.382052\n5.620047 -5.934433 8.382052\n5.620047 5.934433 -8.382052\nY Zn Pt\n2 1 1\ndirect\n0.000000 0.276356 0.276356 Y\n0.000000 0.723644 0.723644 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Y","Zn","Pt"],"chemical_system":"Pt-Y-Zn","density":0.6508721731999433,"density_atomic":0.0035770949708106735,"volume":1118.225832034167,"volume_molar":168.35283404944678,"formula_full":"Y2 Zn1 Pt1","formula_reduced":"Y2ZnPt","formula_anonymous":"ABC2","energy":-13.37999252,"energy_per_atom":-3.34499813,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.37999252,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1114291,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.201000Z","spacegroup":71},{"id":"mp-1097355","created_at":"2022-09-04T14:40:58.146752Z","structure_string":"La1 Sc1 Au2\n1.0\n-5.338742 6.205739 8.432077\n5.338742 -6.205739 8.432077\n5.338742 6.205739 -8.432077\nLa Sc Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sc\n0.000000 0.243750 0.243750 Au\n0.000000 0.756250 0.756250 Au\n","nsites":4,"nelements":3,"elements":["La","Sc","Au"],"chemical_system":"Au-La-Sc","density":0.8586091673030801,"density_atomic":0.003579587611950637,"volume":1117.4471569422676,"volume_molar":168.23560177420364,"formula_full":"La1 Sc1 Au2","formula_reduced":"LaScAu2","formula_anonymous":"ABC2","energy":-12.03677793,"energy_per_atom":-3.0091944825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.03677793,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5481647,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.460000Z","spacegroup":71},{"id":"mp-1093887","created_at":"2022-09-04T14:44:08.261063Z","structure_string":"La2 Al1 Zn1\n1.0\n-5.551066 5.966894 8.433656\n5.551066 -5.966894 8.433656\n5.551066 5.966894 -8.433656\nLa Al Zn\n2 1 1\ndirect\n0.000000 0.251892 0.251892 La\n0.000000 0.748108 0.748108 La\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Zn\n","nsites":4,"nelements":3,"elements":["La","Al","Zn"],"chemical_system":"Al-La-Zn","density":0.5501570197945479,"density_atomic":0.0035798052746619344,"volume":1117.379212861724,"volume_molar":168.22537255378262,"formula_full":"La2 Al1 Zn1","formula_reduced":"La2AlZn","formula_anonymous":"ABC2","energy":-6.65148956,"energy_per_atom":-1.66287239,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.65148956,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0104216,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.270000Z","spacegroup":71},{"id":"mp-1097438","created_at":"2022-09-04T14:40:25.627485Z","structure_string":"Hf2 Fe1 Co1\n1.0\n-4.489832 6.631018 9.382663\n4.489832 -6.631018 9.382663\n4.489832 6.631018 -9.382663\nHf Fe Co\n2 1 1\ndirect\n0.000000 0.249629 0.249629 Hf\n0.000000 0.750371 0.750371 Hf\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n","nsites":4,"nelements":3,"elements":["Hf","Fe","Co"],"chemical_system":"Co-Fe-Hf","density":0.7010873702744792,"density_atomic":0.0035798397357444545,"volume":1117.3684564871087,"volume_molar":168.2237531437326,"formula_full":"Hf2 Fe1 Co1","formula_reduced":"Hf2FeCo","formula_anonymous":"ABC2","energy":-22.22842774,"energy_per_atom":-5.557106935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.22842774,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3119137,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.986000Z","spacegroup":71}]}