{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=12163","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=12161","results":[{"id":"mp-975019","created_at":"2022-09-04T14:39:08.394531Z","structure_string":"Rb3 Cd1\n1.0\n6.312502 0.000000 0.000000\n0.000000 6.312502 0.000000\n0.000000 0.000000 6.312502\nRb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":2,"elements":["Rb","Cd"],"chemical_system":"Cd-Rb","density":2.4347388218027315,"density_atomic":0.01590213386874222,"volume":251.53856916413827,"volume_molar":37.870016751885906,"formula_full":"Rb3 Cd1","formula_reduced":"Rb3Cd","formula_anonymous":"AB3","energy":-3.64744288,"energy_per_atom":-0.91186072,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.64744288,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0111258,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.218000Z","spacegroup":221},{"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-1184789","created_at":"2022-09-04T14:47:17.129199Z","structure_string":"In2 Hg6\n1.0\n3.394719 -5.879825 0.000000\n3.394719 5.879825 0.000000\n0.000000 0.000000 5.470530\nIn Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.166688 0.333376 0.250000 Hg\n0.666624 0.833312 0.250000 Hg\n0.166688 0.833312 0.250000 Hg\n0.833312 0.666624 0.750000 Hg\n0.333376 0.166688 0.750000 Hg\n0.833312 0.166688 0.750000 Hg\n","nsites":8,"nelements":2,"elements":["In","Hg"],"chemical_system":"Hg-In","density":10.897352341780218,"density_atomic":0.03663214552082638,"volume":218.38742684213733,"volume_molar":16.439497808219414,"formula_full":"In2 Hg6","formula_reduced":"InHg3","formula_anonymous":"AB3","energy":-7.28875001,"energy_per_atom":-0.91109375125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.28875001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001364,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.840000Z","spacegroup":194},{"id":"mp-639736","created_at":"2022-09-04T14:40:25.240816Z","structure_string":"Rb2\n1.0\n-2.378988 2.378988 8.488669\n2.378988 -2.378988 8.488669\n2.378988 2.378988 -8.488669\nRb\n2\ndirect\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n","nsites":2,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.4770579166337583,"density_atomic":0.010407487600844737,"volume":192.16933776002458,"volume_molar":57.86354008734256,"formula_full":"Rb2","formula_reduced":"Rb","formula_anonymous":"A","energy":-1.82067884,"energy_per_atom":-0.91033942,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.82067884,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011829,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.355000Z","spacegroup":141},{"id":"mp-1225895","created_at":"2022-09-04T14:40:29.200662Z","structure_string":"Cs1 Rb1\n1.0\n3.006029 -4.211392 0.000000\n3.006029 4.211392 0.000000\n0.000000 0.000000 8.097688\nCs Rb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Rb\n","nsites":2,"nelements":2,"elements":["Cs","Rb"],"chemical_system":"Cs-Rb","density":1.768636851581567,"density_atomic":0.009754839463677167,"volume":205.02643917894713,"volume_molar":61.734903812859926,"formula_full":"Cs1 Rb1","formula_reduced":"CsRb","formula_anonymous":"AB","energy":-1.8195507,"energy_per_atom":-0.90977535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.8195507,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024888,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.125000Z","spacegroup":65},{"id":"mp-1096003","created_at":"2022-09-04T14:39:12.047638Z","structure_string":"Ba1 Li2 Tl1\n1.0\n-6.622784 6.711527 9.331458\n6.622784 -6.711527 9.331458\n6.622784 6.711527 -9.331458\nBa Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.715138 0.000000 0.715138 Li\n0.284862 0.000000 0.284862 Li\n0.500000 0.000000 0.500000 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Li","Tl"],"chemical_system":"Ba-Li-Tl","density":0.35590166198362816,"density_atomic":0.0024109519873450856,"volume":1659.0956688460467,"volume_molar":249.782691302431,"formula_full":"Ba1 Li2 Tl1","formula_reduced":"BaLi2Tl","formula_anonymous":"ABC2","energy":-3.63747978,"energy_per_atom":-0.909369945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.63747978,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9997119,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.552000Z","spacegroup":71},{"id":"mp-94","created_at":"2022-09-04T14:44:22.695964Z","structure_string":"Cd2\n1.0\n1.503923 -2.604871 0.000000\n1.503923 2.604871 0.000000\n0.000000 0.000000 5.941963\nCd\n2\ndirect\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n","nsites":2,"nelements":1,"elements":["Cd"],"chemical_system":"Cd","density":8.018924852597033,"density_atomic":0.04295940274785382,"volume":46.55558206287951,"volume_molar":14.01821341731958,"formula_full":"Cd2","formula_reduced":"Cd","formula_anonymous":"A","energy":-1.8185637,"energy_per_atom":-0.90928185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.8185637,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000265,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.181000Z","spacegroup":194},{"id":"mp-975028","created_at":"2022-09-04T14:43:56.039666Z","structure_string":"Rb3 Cd1\n1.0\n0.000000 5.001006 5.001006\n5.001006 0.000000 5.001006\n5.001006 5.001006 0.000000\nRb Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":2,"elements":["Rb","Cd"],"chemical_system":"Cd-Rb","density":2.4482448201797262,"density_atomic":0.01599034628491545,"volume":250.1509303631163,"volume_molar":37.661102847291104,"formula_full":"Rb3 Cd1","formula_reduced":"Rb3Cd","formula_anonymous":"AB3","energy":-3.62775351,"energy_per_atom":-0.9069383775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.62775351,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0363729,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.837000Z","spacegroup":225},{"id":"mp-1247813","created_at":"2022-09-04T14:42:00.611467Z","structure_string":"Al1 Ag7 Se5\n1.0\n25.227086 0.255571 15.109131\n8.443308 24.068319 15.442602\n-0.785383 -0.126280 31.554843\nAl Ag Se\n1 7 5\ndirect\n0.499989 0.499909 0.500073 Al\n0.103937 0.276055 0.809935 Ag\n0.430122 0.518457 0.025734 Ag\n0.522239 0.025724 0.426349 Ag\n0.518512 0.430171 0.025687 Ag\n0.342068 0.946990 0.947052 Ag\n0.810012 0.809944 0.276003 Ag\n0.947125 0.947048 0.763749 Ag\n0.133402 0.622143 0.622235 Se\n0.622178 0.133496 0.622150 Se\n0.622263 0.622181 0.133301 Se\n0.622209 0.622226 0.622188 Se\n0.982345 0.982257 0.982345 Se\n","nsites":13,"nelements":3,"elements":["Al","Ag","Se"],"chemical_system":"Ag-Al-Se","density":0.10069788002532618,"density_atomic":0.0006698694503524695,"volume":19406.766487350193,"volume_molar":899.0021498713355,"formula_full":"Al1 Ag7 Se5","formula_reduced":"AlAg7Se5","formula_anonymous":"AB5C7","energy":-11.77803356,"energy_per_atom":-0.9060025815384616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.41803356,"band_gap":0.0257999999999993,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.3652042,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.526000Z","spacegroup":1},{"id":"mp-1018045","created_at":"2022-09-04T14:39:23.729043Z","structure_string":"Rb4\n1.0\n0.000000 8.713567 8.860589\n2.489080 0.000000 8.860589\n2.489080 8.713567 0.000000\nRb\n4\ndirect\n0.132512 0.867488 0.132512 Rb\n0.117488 0.382512 0.117488 Rb\n0.867488 0.132512 0.867488 Rb\n0.382512 0.117488 0.382512 Rb\n","nsites":4,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.4770125853323706,"density_atomic":0.010407168192274626,"volume":384.35047133851947,"volume_molar":57.865315989322745,"formula_full":"Rb4","formula_reduced":"Rb","formula_anonymous":"A","energy":-3.62400847,"energy_per_atom":-0.9060021175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.62400847,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004443,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.677000Z","spacegroup":70},{"id":"mp-1183542","created_at":"2022-09-04T14:40:41.057935Z","structure_string":"Cd1\n1.0\n2.639985 -1.643321 0.000000\n2.639985 1.643321 0.000000\n1.617061 0.000000 2.656151\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n","nsites":1,"nelements":1,"elements":["Cd"],"chemical_system":"Cd","density":8.099370911607961,"density_atomic":0.04339037257386594,"volume":23.046587080985354,"volume_molar":13.878979143929135,"formula_full":"Cd1","formula_reduced":"Cd","formula_anonymous":"A","energy":-0.90473076,"energy_per_atom":-0.90473076,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.90473076,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.623000Z","spacegroup":166},{"id":"mp-1093902","created_at":"2022-09-04T14:41:15.179092Z","structure_string":"Ba1 Mg1 Tl2\n1.0\n-5.863945 7.165210 10.110837\n5.863945 -7.165210 10.110837\n5.863945 7.165210 -10.110837\nBa Mg Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.233540 0.233540 Tl\n0.000000 0.766460 0.766460 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Mg","Tl"],"chemical_system":"Ba-Mg-Tl","density":0.5573931617857097,"density_atomic":0.0023539329024264794,"volume":1699.2837798718574,"volume_molar":255.8331528393295,"formula_full":"Ba1 Mg1 Tl2","formula_reduced":"BaMgTl2","formula_anonymous":"ABC2","energy":-3.61187132,"energy_per_atom":-0.90296783,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.61187132,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8084534,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.741000Z","spacegroup":71}]}