{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=9","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=7","results":[{"id":"mp-10861","created_at":"2022-09-04T14:40:26.888501Z","structure_string":"Hg3\n1.0\n2.779956 -4.815024 0.000000\n2.779956 4.815024 0.000000\n0.000000 0.000000 3.290636\nHg\n3\ndirect\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n","nsites":3,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":11.343143125408949,"density_atomic":0.03405454139570542,"volume":88.0939773976321,"volume_molar":17.683811066559965,"formula_full":"Hg3","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.90234364,"energy_per_atom":-0.30078121333333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.90234364,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.52e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.702000Z","spacegroup":191},{"id":"mp-13","created_at":"2022-09-04T14:39:29.027124Z","structure_string":"Fe1\n1.0\n2.318956 0.000185 -0.819712\n-1.159251 2.008215 -0.819524\n0.000025 0.000273 2.459206\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n","nsites":1,"nelements":1,"elements":["Fe"],"chemical_system":"Fe","density":8.096264696014796,"density_atomic":0.08730745034733464,"volume":11.453776235839058,"volume_molar":6.897625272576577,"formula_full":"Fe1","formula_reduced":"Fe","formula_anonymous":"A","energy":-8.47000845,"energy_per_atom":-8.47000845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.47000845,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1850741,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.624000Z","spacegroup":229},{"id":"mp-1181996","created_at":"2022-09-04T14:39:35.001890Z","structure_string":"C1\n1.0\n-0.810135 0.810135 3.121612\n0.810135 -0.810135 3.121612\n0.810135 0.810135 -3.121612\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n","nsites":1,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.4336813470971252,"density_atomic":0.12202429202519499,"volume":8.195089546543116,"volume_molar":4.935198279008722,"formula_full":"C1","formula_reduced":"C","formula_anonymous":"A","energy":-6.59184474,"energy_per_atom":-6.59184474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.59184474,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.937000Z","spacegroup":139},{"id":"mp-1191484","created_at":"2022-09-04T14:39:29.957704Z","structure_string":"Mn22\n1.0\n-5.575475 -5.575475 0.000000\n-5.575475 0.000000 -5.575475\n0.000000 -5.575475 -5.575475\nMn\n22\ndirect\n0.899909 0.366697 0.366697 Mn\n0.366697 0.899909 0.366697 Mn\n0.366697 0.366697 0.899909 Mn\n0.366697 0.366697 0.366697 Mn\n0.518035 0.160655 0.160655 Mn\n0.160655 0.518035 0.160655 Mn\n0.160655 0.160655 0.518035 Mn\n0.160655 0.160655 0.160655 Mn\n0.279659 0.573447 0.573447 Mn\n0.573447 0.279659 0.573447 Mn\n0.573447 0.573447 0.279659 Mn\n0.573447 0.573447 0.573447 Mn\n0.978060 0.673980 0.673980 Mn\n0.673980 0.978060 0.673980 Mn\n0.673980 0.673980 0.978060 Mn\n0.673980 0.673980 0.673980 Mn\n0.198439 0.801561 0.198439 Mn\n0.198439 0.801561 0.801561 Mn\n0.198439 0.198439 0.801561 Mn\n0.801561 0.198439 0.801561 Mn\n0.801561 0.198439 0.198439 Mn\n0.801561 0.801561 0.198439 Mn\n","nsites":22,"nelements":1,"elements":["Mn"],"chemical_system":"Mn","density":5.789877363368063,"density_atomic":0.06346686795532967,"volume":346.6375560786206,"volume_molar":9.488637070035667,"formula_full":"Mn22","formula_reduced":"Mn","formula_anonymous":"A","energy":-183.81946655,"energy_per_atom":-8.355430297727272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.81946655,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.9884061,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.072000Z","spacegroup":216},{"id":"mp-1180981","created_at":"2022-09-04T14:41:03.989835Z","structure_string":"I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n","nsites":1,"nelements":1,"elements":["I"],"chemical_system":"I","density":4.5737451578813175,"density_atomic":0.02170430809147089,"volume":46.073802297018105,"volume_molar":27.746292278105436,"formula_full":"I1","formula_reduced":"I","formula_anonymous":"A","energy":-1.40693406,"energy_per_atom":-1.40693406,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.40693406,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011815,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.706000Z","spacegroup":69},{"id":"mp-1182425","created_at":"2022-09-04T14:40:01.345437Z","structure_string":"B12\n1.0\n3.621913 2.310403 6.163776\n-2.133934 2.569353 3.013264\n-3.060961 -4.544889 -1.076794\nB\n12\ndirect\n0.205361 0.740347 0.000000 B\n0.998252 0.468183 0.753717 B\n0.244535 0.468183 0.246283 B\n0.794639 0.259653 0.000000 B\n0.001748 0.531817 0.246283 B\n0.755465 0.531817 0.753717 B\n0.088000 0.179893 0.000000 B\n0.481624 0.567711 0.363304 B\n0.118320 0.567711 0.636696 B\n0.912000 0.820107 0.000000 B\n0.518376 0.432289 0.636696 B\n0.881680 0.432289 0.363304 B\n","nsites":12,"nelements":1,"elements":["B"],"chemical_system":"B","density":1.7771704951419987,"density_atomic":0.09899519822368441,"volume":121.21800062347896,"volume_molar":6.083265520002984,"formula_full":"B12","formula_reduced":"B","formula_anonymous":"A","energy":-74.36469827,"energy_per_atom":-6.197058189166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.36469827,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003072,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.579000Z","spacegroup":12},{"id":"mp-569304","created_at":"2022-09-04T14:40:10.368745Z","structure_string":"C4\n1.0\n11.875771 -1.234686 0.000000\n11.875771 1.234686 0.000000\n11.747405 0.000000 2.134682\nC\n4\ndirect\n0.949244 0.949244 0.949244 C\n0.282535 0.282535 0.282535 C\n0.717465 0.717465 0.717465 C\n0.050756 0.050756 0.050756 C\n","nsites":4,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.2743710183702888,"density_atomic":0.06389670590175883,"volume":62.60103621225793,"volume_molar":9.424806294801863,"formula_full":"C4","formula_reduced":"C","formula_anonymous":"A","energy":-36.9071228,"energy_per_atom":-9.2267807,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.9071228,"band_gap":4.5566,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.76e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.865000Z","spacegroup":166},{"id":"mp-1183455","created_at":"2022-09-04T14:40:00.770332Z","structure_string":"Ca1\n1.0\n-2.085022 2.085022 2.407126\n2.085022 -2.085022 2.407126\n2.085022 2.085022 -2.407126\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n","nsites":1,"nelements":1,"elements":["Ca"],"chemical_system":"Ca","density":1.5899191478350851,"density_atomic":0.023890206369057712,"volume":41.85815662501715,"volume_molar":25.207571114997982,"formula_full":"Ca1","formula_reduced":"Ca","formula_anonymous":"A","energy":-1.9925282,"energy_per_atom":-1.9925282,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.9925282,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017857,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.655000Z","spacegroup":139},{"id":"mp-570510","created_at":"2022-09-04T14:40:27.056173Z","structure_string":"Xe2\n1.0\n2.472063 -4.281739 0.000000\n2.472063 4.281739 0.000000\n0.000000 0.000000 7.889846\nXe\n2\ndirect\n0.333333 0.666667 0.250000 Xe\n0.666667 0.333333 0.750000 Xe\n","nsites":2,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":2.6106125282421346,"density_atomic":0.011974344496908911,"volume":167.02375654185374,"volume_molar":50.292028607950705,"formula_full":"Xe2","formula_reduced":"Xe","formula_anonymous":"A","energy":-0.07203278,"energy_per_atom":-0.03601639,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.07203278,"band_gap":6.2167,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.218000Z","spacegroup":194},{"id":"mp-721759","created_at":"2022-09-04T14:39:45.126233Z","structure_string":"N1\n1.0\n0.000000 1.537618 1.537618\n1.537618 0.000000 1.537618\n1.537618 1.537618 0.000000\nN\n1\ndirect\n0.000000 0.000000 0.000000 N\n","nsites":1,"nelements":1,"elements":["N"],"chemical_system":"N","density":3.1989655675646826,"density_atomic":0.13753861324170039,"volume":7.270685492827185,"volume_molar":4.378509145949527,"formula_full":"N1","formula_reduced":"N","formula_anonymous":"A","energy":-3.82991611,"energy_per_atom":-3.82991611,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.82991611,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002661,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.212000Z","spacegroup":225},{"id":"mp-113","created_at":"2022-09-04T14:40:26.996512Z","structure_string":"Tc2\n1.0\n1.380358 -2.390851 0.000000\n1.380358 2.390851 0.000000\n0.000000 0.000000 4.421340\nTc\n2\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.750000 Tc\n","nsites":2,"nelements":1,"elements":["Tc"],"chemical_system":"Tc","density":11.152622748727236,"density_atomic":0.06853333067267706,"volume":29.182880510393204,"volume_molar":8.787170710792426,"formula_full":"Tc2","formula_reduced":"Tc","formula_anonymous":"A","energy":-20.72123982,"energy_per_atom":-10.36061991,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.72123982,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035913,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.179000Z","spacegroup":194},{"id":"mp-999501","created_at":"2022-09-04T14:42:24.205166Z","structure_string":"Na4\n1.0\n2.306607 -3.995160 0.000000\n2.306607 3.995160 0.000000\n0.000000 0.000000 8.660129\nNa\n4\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n","nsites":4,"nelements":1,"elements":["Na"],"chemical_system":"Na","density":0.9567127508790888,"density_atomic":0.025060968574764763,"volume":159.6107504012361,"volume_molar":24.029960143136755,"formula_full":"Na4","formula_reduced":"Na","formula_anonymous":"A","energy":-4.79422453,"energy_per_atom":-1.1985561325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.79422453,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.3e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.965000Z","spacegroup":194}]}