{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=36","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=34","results":[{"id":"mp-1097649","created_at":"2022-09-04T14:46:10.741728Z","structure_string":"Y1 Zn1 Hg2\n1.0\n-5.841188 6.227087 8.804754\n5.841188 -6.227087 8.804754\n5.841188 6.227087 -8.804754\nY Zn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.236080 0.236080 Hg\n0.000000 0.763920 0.763920 Hg\n","nsites":4,"nelements":3,"elements":["Y","Zn","Hg"],"chemical_system":"Hg-Y-Zn","density":0.7200552128874107,"density_atomic":0.0031224583619295677,"volume":1281.0419023580328,"volume_molar":192.8653663864562,"formula_full":"Y1 Zn1 Hg2","formula_reduced":"YZnHg2","formula_anonymous":"ABC2","energy":-3.69378582,"energy_per_atom":-0.923446455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.69378582,"band_gap":0.1437999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9998816,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.053000Z","spacegroup":71},{"id":"mp-640416","created_at":"2022-09-04T14:42:43.700715Z","structure_string":"Rb8\n1.0\n9.369484 0.000000 0.000000\n-0.337446 9.441180 0.000000\n-4.231228 -4.217970 8.556800\nRb\n8\ndirect\n0.212811 0.615707 0.771238 Rb\n0.175624 0.017892 0.210735 Rb\n0.392237 0.100566 0.722560 Rb\n0.700065 0.224497 0.250802 Rb\n0.717570 0.730962 0.274134 Rb\n0.212472 0.547255 0.279284 Rb\n0.913153 0.153820 0.767250 Rb\n0.699346 0.630266 0.748735 Rb\n","nsites":8,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.499989699184075,"density_atomic":0.010569067075738724,"volume":756.9258424297436,"volume_molar":56.978924599918706,"formula_full":"Rb8","formula_reduced":"Rb","formula_anonymous":"A","energy":-7.39045015,"energy_per_atom":-0.92380626875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.39045015,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0140471,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.872000Z","spacegroup":1},{"id":"mp-1228441","created_at":"2022-09-04T14:41:03.637145Z","structure_string":"Ba7 Hg31\n1.0\n5.723554 -9.913486 0.000000\n5.723554 9.913486 0.000000\n0.000000 0.000000 10.169554\nBa Hg\n7 31\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.835378 0.670755 0.500000 Ba\n0.329245 0.164622 0.500000 Ba\n0.835378 0.164622 0.500000 Ba\n0.333333 0.666667 0.785398 Ba\n0.333333 0.666667 0.214602 Ba\n0.066381 0.666920 0.000000 Hg\n0.333080 0.399460 0.000000 Hg\n0.600540 0.933619 0.000000 Hg\n0.600540 0.666920 0.000000 Hg\n0.333080 0.933619 0.000000 Hg\n0.066381 0.399460 0.000000 Hg\n0.834120 0.668241 0.837754 Hg\n0.331759 0.165880 0.837754 Hg\n0.834120 0.165880 0.837754 Hg\n0.834120 0.668241 0.162246 Hg\n0.331759 0.165880 0.162246 Hg\n0.834120 0.165880 0.162246 Hg\n0.666667 0.333333 0.647849 Hg\n0.000000 0.000000 0.649440 Hg\n0.000000 0.000000 0.350560 Hg\n0.666667 0.333333 0.352151 Hg\n0.953823 0.476911 0.731893 Hg\n0.523089 0.476911 0.731893 Hg\n0.523089 0.046177 0.731893 Hg\n0.149665 0.850335 0.715546 Hg\n0.700670 0.850335 0.715546 Hg\n0.149665 0.299330 0.715546 Hg\n0.700670 0.850335 0.284454 Hg\n0.149665 0.850335 0.284454 Hg\n0.149665 0.299330 0.284454 Hg\n0.523089 0.476911 0.268107 Hg\n0.953823 0.476911 0.268107 Hg\n0.523089 0.046177 0.268107 Hg\n0.135977 0.567989 0.500000 Hg\n0.432011 0.567989 0.500000 Hg\n0.432011 0.864023 0.500000 Hg\n","nsites":38,"nelements":2,"elements":["Ba","Hg"],"chemical_system":"Ba-Hg","density":10.33056302078605,"density_atomic":0.03292755713369121,"volume":1154.0485632053983,"volume_molar":18.289060240785965,"formula_full":"Ba7 Hg31","formula_reduced":"Ba7Hg31","formula_anonymous":"A7B31","energy":-35.17496276,"energy_per_atom":-0.9256569147368421,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.17496276,"band_gap":0.0169999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009716,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.362000Z","spacegroup":187},{"id":"mp-1096679","created_at":"2022-09-04T14:39:12.664342Z","structure_string":"Mg2 In1 Ga1\n1.0\n-5.440436 5.841419 8.607575\n5.440436 -5.841419 8.607575\n5.440436 5.841419 -8.607575\nMg In Ga\n2 1 1\ndirect\n0.000000 0.243469 0.243469 Mg\n0.000000 0.756531 0.756531 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Mg","In","Ga"],"chemical_system":"Ga-In-Mg","density":0.35382906799296165,"density_atomic":0.0036556711370220804,"volume":1094.190327869156,"volume_molar":164.7342043164652,"formula_full":"Mg2 In1 Ga1","formula_reduced":"Mg2InGa","formula_anonymous":"ABC2","energy":-3.70612858,"energy_per_atom":-0.926532145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.70612858,"band_gap":0.0060999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.0019914,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.639000Z","spacegroup":71},{"id":"mp-1179802","created_at":"2022-09-04T14:46:11.351041Z","structure_string":"Rb8\n1.0\n8.978624 0.000000 0.000000\n-0.417011 9.410338 0.000000\n-4.078497 -2.329584 8.811433\nRb\n8\ndirect\n0.388715 0.794630 0.234057 Rb\n0.974850 0.820843 0.782301 Rb\n0.894549 0.599739 0.269305 Rb\n0.780495 0.299401 0.750595 Rb\n0.273446 0.288511 0.733440 Rb\n0.453472 0.782270 0.726238 Rb\n0.849128 0.088731 0.229780 Rb\n0.364381 0.302596 0.249545 Rb\n","nsites":8,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.5250358697239768,"density_atomic":0.010745544725265654,"volume":744.4945979508938,"volume_molar":56.04314079899862,"formula_full":"Rb8","formula_reduced":"Rb","formula_anonymous":"A","energy":-7.41507832,"energy_per_atom":-0.92688479,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.41507832,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0050905,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.537000Z","spacegroup":1},{"id":"mp-973626","created_at":"2022-09-04T14:45:00.153199Z","structure_string":"Hg6 Au2\n1.0\n2.973825 -5.150817 0.000000\n2.973825 5.150817 0.000000\n0.000000 0.000000 6.237019\nHg Au\n6 2\ndirect\n0.167434 0.334867 0.250000 Hg\n0.665133 0.832566 0.250000 Hg\n0.167434 0.832566 0.250000 Hg\n0.832566 0.665133 0.750000 Hg\n0.334867 0.167434 0.750000 Hg\n0.832566 0.167434 0.750000 Hg\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n","nsites":8,"nelements":2,"elements":["Hg","Au"],"chemical_system":"Au-Hg","density":13.883023869037034,"density_atomic":0.04186888503044017,"volume":191.07267829519975,"volume_molar":14.383332051048622,"formula_full":"Hg6 Au2","formula_reduced":"Hg3Au","formula_anonymous":"AB3","energy":-7.43629868,"energy_per_atom":-0.929537335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.43629868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040778,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.787000Z","spacegroup":194},{"id":"mp-1068966","created_at":"2022-09-04T14:47:13.169073Z","structure_string":"K5\n1.0\n4.459769 -6.503227 0.000000\n4.459769 6.503227 0.000000\n0.000000 0.000000 8.659120\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.747291 K\n0.500000 0.000000 0.747291 K\n0.500000 0.000000 0.252709 K\n0.000000 0.500000 0.252709 K\n","nsites":5,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.6462967090133793,"density_atomic":0.009954626558567391,"volume":502.2790127367238,"volume_molar":60.49589830988767,"formula_full":"K5","formula_reduced":"K","formula_anonymous":"A","energy":-4.65632006,"energy_per_atom":-0.931264012,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.65632006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038517,"is_theoretical":false,"updated_at":"2021-11-28T01:37:58.808000Z","spacegroup":65},{"id":"mp-1096664","created_at":"2022-09-04T14:46:26.910956Z","structure_string":"Sr2 Zn1 Pb1\n1.0\n-6.784940 6.896298 9.744662\n6.784940 -6.896298 9.744662\n6.784940 6.896298 -9.744662\nSr Zn Pb\n2 1 1\ndirect\n0.000000 0.254968 0.254968 Sr\n0.000000 0.745032 0.745032 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Sr","Zn","Pb"],"chemical_system":"Pb-Sr-Zn","density":0.40774806032006405,"density_atomic":0.0021931644056036475,"volume":1823.8486771806959,"volume_molar":274.5868364730488,"formula_full":"Sr2 Zn1 Pb1","formula_reduced":"Sr2ZnPb","formula_anonymous":"ABC2","energy":-3.73261368,"energy_per_atom":-0.93315342,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.73261368,"band_gap":0.1513999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0000701,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.901000Z","spacegroup":71},{"id":"mp-1183945","created_at":"2022-09-04T14:40:25.026039Z","structure_string":"Cs1 Rb3\n1.0\n7.283814 0.000000 0.000000\n0.000000 7.283814 0.000000\n0.000000 0.000000 7.283814\nCs Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n","nsites":4,"nelements":2,"elements":["Cs","Rb"],"chemical_system":"Cs-Rb","density":1.6728878802250668,"density_atomic":0.01035102720601135,"volume":386.4350774459373,"volume_molar":58.17916077452339,"formula_full":"Cs1 Rb3","formula_reduced":"CsRb3","formula_anonymous":"AB3","energy":-3.74043575,"energy_per_atom":-0.9351089375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.74043575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0792299,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.334000Z","spacegroup":221},{"id":"mp-1093559","created_at":"2022-09-04T14:39:12.269402Z","structure_string":"Li2 In1 Hg1\n1.0\n-5.610206 5.684734 7.925770\n5.610206 -5.684734 7.925770\n5.610206 5.684734 -7.925770\nLi In Hg\n2 1 1\ndirect\n0.250234 0.000000 0.250234 Li\n0.749766 0.000000 0.749766 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Li","In","Hg"],"chemical_system":"Hg-In-Li","density":0.5408006770476812,"density_atomic":0.003956121110765478,"volume":1011.0913917966559,"volume_molar":152.2233670655943,"formula_full":"Li2 In1 Hg1","formula_reduced":"Li2InHg","formula_anonymous":"ABC2","energy":-3.74388482,"energy_per_atom":-0.935971205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.74388482,"band_gap":0.0026000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.000984,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.706000Z","spacegroup":71},{"id":"mp-1095810","created_at":"2022-09-04T14:43:12.120054Z","structure_string":"Sr2 Mg1 Pb1\n1.0\n-6.883809 6.911254 9.809423\n6.883809 -6.911254 9.809423\n6.883809 6.911254 -9.809423\nSr Mg Pb\n2 1 1\ndirect\n0.000000 0.267935 0.267935 Sr\n0.000000 0.732065 0.732065 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Sr","Mg","Pb"],"chemical_system":"Mg-Pb-Sr","density":0.36181136167932293,"density_atomic":0.002142746880087649,"volume":1866.7627227329717,"volume_molar":281.04769704547016,"formula_full":"Sr2 Mg1 Pb1","formula_reduced":"Sr2MgPb","formula_anonymous":"ABC2","energy":-3.74767763,"energy_per_atom":-0.9369194075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.74767763,"band_gap":0.0116,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1314058,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.562000Z","spacegroup":71},{"id":"mp-1093776","created_at":"2022-09-04T14:46:23.513270Z","structure_string":"Mg2 Zn1 Cu1\n1.0\n-5.355569 5.477214 7.735315\n5.355569 -5.477214 7.735315\n5.355569 5.477214 -7.735315\nMg Zn Cu\n2 1 1\ndirect\n0.000000 0.237343 0.237343 Mg\n0.000000 0.762657 0.762657 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Cu"],"chemical_system":"Cu-Mg-Zn","density":0.3248651609008015,"density_atomic":0.004407138180701736,"volume":907.618467130316,"volume_molar":136.6451541358549,"formula_full":"Mg2 Zn1 Cu1","formula_reduced":"Mg2ZnCu","formula_anonymous":"ABC2","energy":-3.7478223,"energy_per_atom":-0.936955575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.7478223,"band_gap":0.7677,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.858000Z","spacegroup":71}]}