{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=12106","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=12104","results":[{"id":"mp-1221597","created_at":"2022-09-04T14:44:20.720634Z","structure_string":"Na6\n1.0\n-5.961352 0.000000 -5.961352\n5.961352 -5.961352 0.000000\n-5.961352 -5.961352 0.000000\nNa\n6\ndirect\n0.500000 0.250000 0.250000 Na\n0.500000 0.750000 0.750000 Na\n0.796385 0.398193 0.805422 Na\n0.203615 0.398193 0.398193 Na\n0.203615 0.805422 0.398193 Na\n0.796385 0.398193 0.398193 Na\n","nsites":6,"nelements":1,"elements":["Na"],"chemical_system":"Na","density":0.5405933087459964,"density_atomic":0.01416077282315193,"volume":423.7056885899896,"volume_molar":42.526921625027384,"formula_full":"Na6","formula_reduced":"Na","formula_anonymous":"A","energy":-5.47045194,"energy_per_atom":-0.91174199,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.47045194,"band_gap":0.2698,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021229,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.157000Z","spacegroup":216},{"id":"mp-974631","created_at":"2022-09-04T14:39:43.797207Z","structure_string":"K3 Tm1\n1.0\n6.074285 0.000000 0.000000\n0.000000 6.074285 0.000000\n0.000000 0.000000 6.074285\nK Tm\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tm\n","nsites":4,"nelements":2,"elements":["K","Tm"],"chemical_system":"K-Tm","density":2.120691049104739,"density_atomic":0.01784738108656276,"volume":224.12251862608505,"volume_molar":33.74243386630015,"formula_full":"K3 Tm1","formula_reduced":"K3Tm","formula_anonymous":"AB3","energy":-5.47012334,"energy_per_atom":-1.367530835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.47012334,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3682847,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.281000Z","spacegroup":221},{"id":"mp-1094430","created_at":"2022-09-04T14:44:28.141223Z","structure_string":"Mg1 Zn3\n1.0\n-1.460979 2.423608 4.695450\n1.460979 -2.423608 4.695450\n1.460979 2.423608 -4.695450\nMg Zn\n1 3\ndirect\n0.336646 0.000000 0.336646 Mg\n0.830951 0.500000 0.330951 Zn\n0.248101 0.248567 0.999534 Zn\n0.750968 0.751433 0.999534 Zn\n","nsites":4,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":5.506519114635221,"density_atomic":0.060147340462923506,"volume":66.50335607882299,"volume_molar":10.012314282976844,"formula_full":"Mg1 Zn3","formula_reduced":"MgZn3","formula_anonymous":"AB3","energy":-5.46385219,"energy_per_atom":-1.3659630475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.46385219,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.68e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.050000Z","spacegroup":44},{"id":"mp-1215462","created_at":"2022-09-04T14:41:35.709588Z","structure_string":"Zn1 Cu1\n1.0\n1.488039 -2.121279 0.000000\n1.488039 2.121279 0.000000\n0.000000 0.000000 4.140746\nZn Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n","nsites":2,"nelements":2,"elements":["Zn","Cu"],"chemical_system":"Cu-Zn","density":8.191559501478206,"density_atomic":0.07650843221102684,"volume":26.140909468430443,"volume_molar":7.871211820665246,"formula_full":"Zn1 Cu1","formula_reduced":"ZnCu","formula_anonymous":"AB","energy":-5.46384475,"energy_per_atom":-2.731922375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.46384475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008113,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.371000Z","spacegroup":65},{"id":"mp-1096041","created_at":"2022-09-04T14:47:01.207030Z","structure_string":"Y1 Cd2 Ag1\n1.0\n-6.037173 6.354821 8.972139\n6.037173 -6.354821 8.972139\n6.037173 6.354821 -8.972139\nY Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.271530 0.271530 Cd\n0.000000 0.728470 0.728470 Cd\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Y","Cd","Ag"],"chemical_system":"Ag-Cd-Y","density":0.5084552114643599,"density_atomic":0.002905139983785047,"volume":1376.8699692014436,"volume_molar":207.29261906869894,"formula_full":"Y1 Cd2 Ag1","formula_reduced":"YCd2Ag","formula_anonymous":"ABC2","energy":-5.46335717,"energy_per_atom":-1.3658392925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.46335717,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9004765,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.404000Z","spacegroup":71},{"id":"mp-1094741","created_at":"2022-09-04T14:43:10.856488Z","structure_string":"Mg1 Zn3\n1.0\n2.901596 0.000000 0.000000\n0.000000 4.675775 0.000000\n0.000000 0.000000 4.882362\nMg Zn\n1 3\ndirect\n0.000000 0.500000 0.335325 Mg\n0.000000 0.000000 0.996746 Zn\n0.500000 0.000000 0.503607 Zn\n0.500000 0.500000 0.830988 Zn\n","nsites":4,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":5.5284092926694335,"density_atomic":0.060386445415364046,"volume":66.24003073017914,"volume_molar":9.97266972509661,"formula_full":"Mg1 Zn3","formula_reduced":"MgZn3","formula_anonymous":"AB3","energy":-5.46233419,"energy_per_atom":-1.3655835475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.46233419,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009534,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.163000Z","spacegroup":25},{"id":"mp-1096762","created_at":"2022-09-04T14:46:54.153108Z","structure_string":"Sr1 Li2 Si1\n1.0\n-6.105497 6.336943 8.868855\n6.105497 -6.336943 8.868855\n6.105497 6.336943 -8.868855\nSr Li Si\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.200532 0.200532 Li\n0.000000 0.799468 0.799468 Li\n0.000000 0.000000 0.000000 Si\n","nsites":4,"nelements":3,"elements":["Sr","Li","Si"],"chemical_system":"Li-Si-Sr","density":0.15677753805597824,"density_atomic":0.0029142823266306737,"volume":1372.5506151027485,"volume_molar":206.64232510933334,"formula_full":"Sr1 Li2 Si1","formula_reduced":"SrLi2Si","formula_anonymous":"ABC2","energy":-5.389250580000001,"energy_per_atom":-1.3473126450000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.46025058,"band_gap":0.1927000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9958472,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.383000Z","spacegroup":71},{"id":"mp-867147","created_at":"2022-09-04T14:41:01.150603Z","structure_string":"Ba1 Na1 Hg2\n1.0\n0.000000 4.031907 4.031907\n4.031907 0.000000 4.031907\n4.031907 4.031907 0.000000\nBa Na Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Na","Hg"],"chemical_system":"Ba-Hg-Na","density":7.112705795381677,"density_atomic":0.030513953306612072,"volume":131.08757032584302,"volume_molar":19.73569500971564,"formula_full":"Ba1 Na1 Hg2","formula_reduced":"BaNaHg2","formula_anonymous":"ABC2","energy":-5.45950905,"energy_per_atom":-1.3648772625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.45950905,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032017,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.429000Z","spacegroup":225},{"id":"mp-1096937","created_at":"2022-09-04T14:42:08.796945Z","structure_string":"Cu1 I1\n1.0\n0.000000 2.862089 2.862089\n2.862089 0.000000 2.862089\n2.862089 2.862089 0.000000\nCu I\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 I\n","nsites":2,"nelements":2,"elements":["Cu","I"],"chemical_system":"Cu-I","density":6.744530872913697,"density_atomic":0.04265309956009892,"volume":46.889910009516825,"volume_molar":14.118881915052164,"formula_full":"Cu1 I1","formula_reduced":"CuI","formula_anonymous":"AB","energy":-5.833161199999999,"energy_per_atom":-2.9165805999999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.4541612,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000364,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.060000Z","spacegroup":225},{"id":"mp-1058019","created_at":"2022-09-04T14:48:12.315022Z","structure_string":"Br1 N1\n1.0\n0.000000 2.442381 2.442381\n2.442381 0.000000 2.442381\n2.442381 2.442381 0.000000\nBr N\n1 1\ndirect\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 N\n","nsites":2,"nelements":2,"elements":["Br","N"],"chemical_system":"Br-N","density":5.351726875098167,"density_atomic":0.0686372320982672,"volume":29.13870415311359,"volume_molar":8.773868898702332,"formula_full":"Br1 N1","formula_reduced":"BrN","formula_anonymous":"AB","energy":-5.81391963,"energy_per_atom":-2.906959815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.45291963,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005418,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.369000Z","spacegroup":225},{"id":"mp-1187185","created_at":"2022-09-04T14:48:16.765805Z","structure_string":"Sr1 Mg1 Hg2\n1.0\n0.000000 3.757877 3.757877\n3.757877 0.000000 3.757877\n3.757877 3.757877 0.000000\nSr Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Mg","Hg"],"chemical_system":"Hg-Mg-Sr","density":8.027820727315781,"density_atomic":0.03768793243694612,"volume":106.13476891289298,"volume_molar":15.978962948087844,"formula_full":"Sr1 Mg1 Hg2","formula_reduced":"SrMgHg2","formula_anonymous":"ABC2","energy":-5.45174335,"energy_per_atom":-1.3629358375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.45174335,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026168,"is_theoretical":true,"updated_at":"2021-11-28T01:38:43.953000Z","spacegroup":225},{"id":"mp-1056920","created_at":"2022-09-04T14:45:05.358259Z","structure_string":"Cs1 I1\n1.0\n4.665212 0.000000 0.000000\n0.000000 4.665212 0.000000\n0.000000 0.000000 4.665212\nCs I\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 I\n","nsites":2,"nelements":2,"elements":["Cs","I"],"chemical_system":"Cs-I","density":4.249038611978414,"density_atomic":0.019697714727538895,"volume":101.53462102910083,"volume_molar":30.572788992525066,"formula_full":"Cs1 I1","formula_reduced":"CsI","formula_anonymous":"AB","energy":-5.8253591,"energy_per_atom":-2.91267955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.4463591,"band_gap":3.6776,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001373,"is_theoretical":false,"updated_at":"2021-11-28T01:36:47.255000Z","spacegroup":221}]}