{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=chemical_system&page=12163","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=chemical_system&page=12161","results":[{"id":"mp-1097471","created_at":"2022-09-04T14:39:27.044000Z","structure_string":"Zr1 V1 Tc2\n1.0\n-4.500936 5.478731 7.861010\n4.500936 -5.478731 7.861010\n4.500936 5.478731 -7.861010\nZr V Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 V\n0.000000 0.240606 0.240606 Tc\n0.000000 0.759394 0.759394 Tc\n","nsites":4,"nelements":3,"elements":["Zr","V","Tc"],"chemical_system":"Tc-V-Zr","density":0.7241978656797181,"density_atomic":0.005158682936872012,"volume":775.3917131463436,"volume_molar":116.73795101762059,"formula_full":"Zr1 V1 Tc2","formula_reduced":"ZrVTc2","formula_anonymous":"ABC2","energy":-23.94952636,"energy_per_atom":-5.98738159,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.94952636,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6468411,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.301000Z","spacegroup":71},{"id":"mp-1187398","created_at":"2022-09-04T14:46:23.487098Z","structure_string":"Tc6 W2\n1.0\n2.782253 -4.819004 0.000000\n2.782253 4.819004 0.000000\n0.000000 0.000000 4.480905\nTc W\n6 2\ndirect\n0.167067 0.334135 0.250000 Tc\n0.665865 0.832933 0.250000 Tc\n0.167067 0.832933 0.250000 Tc\n0.832933 0.665865 0.750000 Tc\n0.334135 0.167067 0.750000 Tc\n0.832933 0.167067 0.750000 Tc\n0.333333 0.666667 0.750000 W\n0.666667 0.333333 0.250000 W\n","nsites":8,"nelements":2,"elements":["Tc","W"],"chemical_system":"Tc-W","density":13.207236554484092,"density_atomic":0.06657947229968733,"volume":120.15715540655569,"volume_molar":9.045041289743418,"formula_full":"Tc6 W2","formula_reduced":"Tc3W","formula_anonymous":"AB3","energy":-87.22217993,"energy_per_atom":-10.90277249125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.22217993,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008393,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.837000Z","spacegroup":194},{"id":"mp-1217337","created_at":"2022-09-04T14:44:12.128983Z","structure_string":"Tc1 W1\n1.0\n1.556058 -2.259437 0.000000\n1.556058 2.259437 0.000000\n0.000000 0.000000 4.415078\nTc W\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 W\n","nsites":2,"nelements":2,"elements":["Tc","W"],"chemical_system":"Tc-W","density":15.075000469619319,"density_atomic":0.06442220750531263,"volume":31.045195087968203,"volume_molar":9.347926737070255,"formula_full":"Tc1 W1","formula_reduced":"TcW","formula_anonymous":"AB","energy":-23.1074703,"energy_per_atom":-11.55373515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.1074703,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.03e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.715000Z","spacegroup":65},{"id":"mp-977545","created_at":"2022-09-04T14:45:25.509354Z","structure_string":"Zr1 Tc2 W1\n1.0\n0.000000 3.206984 3.206984\n3.206984 0.000000 3.206984\n3.206984 3.206984 0.000000\nZr Tc W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.500000 0.500000 0.500000 W\n","nsites":4,"nelements":3,"elements":["Zr","Tc","W"],"chemical_system":"Tc-W-Zr","density":11.857923323758712,"density_atomic":0.06063726661484624,"volume":65.96603414542193,"volume_molar":9.931418575067429,"formula_full":"Zr1 Tc2 W1","formula_reduced":"ZrTc2W","formula_anonymous":"ABC2","energy":-43.26659725,"energy_per_atom":-10.8166493125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.26659725,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000128,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.952000Z","spacegroup":225},{"id":"mp-1102030","created_at":"2022-09-04T14:46:59.953265Z","structure_string":"Y4 Tc8\n1.0\n2.692490 -4.663530 0.000000\n2.692490 4.663530 0.000000\n0.000000 0.000000 8.891158\nY Tc\n4 8\ndirect\n0.333333 0.666667 0.436306 Y\n0.666667 0.333333 0.563694 Y\n0.666667 0.333333 0.936306 Y\n0.333333 0.666667 0.063694 Y\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.828783 0.171217 0.250000 Tc\n0.828783 0.657566 0.250000 Tc\n0.342434 0.171217 0.250000 Tc\n0.171217 0.828783 0.750000 Tc\n0.171217 0.342434 0.750000 Tc\n0.657566 0.828783 0.750000 Tc\n","nsites":12,"nelements":2,"elements":["Y","Tc"],"chemical_system":"Tc-Y","density":8.475264447792267,"density_atomic":0.05374326518792096,"volume":223.28379115113856,"volume_molar":11.205386831154987,"formula_full":"Y4 Tc8","formula_reduced":"YTc2","formula_anonymous":"AB2","energy":-110.87160494,"energy_per_atom":-9.239300411666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.87160494,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0142954,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.226000Z","spacegroup":194},{"id":"mp-979954","created_at":"2022-09-04T14:42:42.490528Z","structure_string":"Yb3 Tc1\n1.0\n0.000000 3.659765 3.659765\n3.659765 0.000000 3.659765\n3.659765 3.659765 0.000000\nYb Tc\n3 1\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tc\n","nsites":4,"nelements":2,"elements":["Yb","Tc"],"chemical_system":"Tc-Yb","density":10.452715377177483,"density_atomic":0.04080096146443653,"volume":98.03690541671506,"volume_molar":14.759801102356612,"formula_full":"Yb3 Tc1","formula_reduced":"Yb3Tc","formula_anonymous":"AB3","energy":-13.31696783,"energy_per_atom":-3.3292419575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.31696783,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8654259,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.087000Z","spacegroup":225},{"id":"mp-979938","created_at":"2022-09-04T14:39:37.205186Z","structure_string":"Yb3 Tc1\n1.0\n-2.415111 2.415111 4.232235\n2.415111 -2.415111 4.232235\n2.415111 2.415111 -4.232235\nYb Tc\n3 1\ndirect\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Tc\n","nsites":4,"nelements":2,"elements":["Yb","Tc"],"chemical_system":"Tc-Yb","density":10.37802616385364,"density_atomic":0.04050942078771545,"volume":98.74246341268366,"volume_molar":14.866025341508275,"formula_full":"Yb3 Tc1","formula_reduced":"Yb3Tc","formula_anonymous":"AB3","energy":-13.33713098,"energy_per_atom":-3.334282745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.33713098,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8474662,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.226000Z","spacegroup":139},{"id":"mp-1096145","created_at":"2022-09-04T14:45:15.652754Z","structure_string":"Y2 Zn1 Tc1\n1.0\n-5.534627 5.980866 8.395310\n5.534627 -5.980866 8.395310\n5.534627 5.980866 -8.395310\nY Zn Tc\n2 1 1\ndirect\n0.000000 0.291154 0.291154 Y\n0.000000 0.708846 0.708846 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Y","Zn","Tc"],"chemical_system":"Tc-Y-Zn","density":0.5097242655702863,"density_atomic":0.0035984115583992233,"volume":1111.60158727909,"volume_molar":167.35553069085265,"formula_full":"Y2 Zn1 Tc1","formula_reduced":"Y2ZnTc","formula_anonymous":"ABC2","energy":-15.01310708,"energy_per_atom":-3.75327677,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.01310708,"band_gap":0.0504999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002191,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.709000Z","spacegroup":71},{"id":"mp-1096721","created_at":"2022-09-04T14:47:22.227477Z","structure_string":"Y1 Zr1 Tc2\n1.0\n-4.768851 5.943384 8.421128\n4.768851 -5.943384 8.421128\n4.768851 5.943384 -8.421128\nY Zr Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Zr\n0.000000 0.260740 0.260740 Tc\n0.000000 0.739260 0.739260 Tc\n","nsites":4,"nelements":3,"elements":["Y","Zr","Tc"],"chemical_system":"Tc-Y-Zr","density":0.6541978223717849,"density_atomic":0.00418969286545041,"volume":954.7239209311308,"volume_molar":143.7370459696595,"formula_full":"Y1 Zr1 Tc2","formula_reduced":"YZrTc2","formula_anonymous":"ABC2","energy":-22.34844764,"energy_per_atom":-5.58711191,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.34844764,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6208777,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.401000Z","spacegroup":71},{"id":"mp-1206378","created_at":"2022-09-04T14:42:15.743654Z","structure_string":"Zn7 Tc1\n1.0\n0.000000 3.881692 3.881692\n3.881692 0.000000 3.881692\n3.881692 3.881692 0.000000\nZn Tc\n7 1\ndirect\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Tc\n","nsites":8,"nelements":2,"elements":["Zn","Tc"],"chemical_system":"Tc-Zn","density":7.890847518318069,"density_atomic":0.06839065667249652,"volume":116.97504292596186,"volume_molar":8.805502173839807,"formula_full":"Zn7 Tc1","formula_reduced":"Zn7Tc","formula_anonymous":"AB7","energy":-19.70692942,"energy_per_atom":-2.4633661775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.70692942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030816,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.152000Z","spacegroup":225},{"id":"mp-1097157","created_at":"2022-09-04T14:46:29.133575Z","structure_string":"Zr2 Zn1 Tc1\n1.0\n-5.215415 5.586312 7.985717\n5.215415 -5.586312 7.985717\n5.215415 5.586312 -7.985717\nZr Zn Tc\n2 1 1\ndirect\n0.000000 0.284311 0.284311 Zr\n0.000000 0.715689 0.715689 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Zr","Zn","Tc"],"chemical_system":"Tc-Zn-Zr","density":0.6171030618261684,"density_atomic":0.004298055558254928,"volume":930.653395654117,"volume_molar":140.11314368502664,"formula_full":"Zr2 Zn1 Tc1","formula_reduced":"Zr2ZnTc","formula_anonymous":"ABC2","energy":-16.84171707,"energy_per_atom":-4.2104292675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.84171707,"band_gap":0.3535999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5258766,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.116000Z","spacegroup":71},{"id":"mp-1095545","created_at":"2022-09-04T14:39:26.407866Z","structure_string":"Zr4 Tc8\n1.0\n2.610792 -4.522024 0.000000\n2.610792 4.522024 0.000000\n0.000000 0.000000 8.789225\nZr Tc\n4 8\ndirect\n0.333333 0.666667 0.437351 Zr\n0.666667 0.333333 0.562649 Zr\n0.666667 0.333333 0.937351 Zr\n0.333333 0.666667 0.062649 Zr\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.828616 0.171384 0.250000 Tc\n0.828616 0.657232 0.250000 Tc\n0.342768 0.171384 0.250000 Tc\n0.171384 0.828616 0.750000 Tc\n0.171384 0.342768 0.750000 Tc\n0.657232 0.828616 0.750000 Tc\n","nsites":12,"nelements":2,"elements":["Zr","Tc"],"chemical_system":"Tc-Zr","density":9.192721448454892,"density_atomic":0.05782232252443837,"volume":207.53230717995197,"volume_molar":10.414906384043578,"formula_full":"Zr4 Tc8","formula_reduced":"ZrTc2","formula_anonymous":"AB2","energy":-120.85440380999998,"energy_per_atom":-10.071200317499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.85440380999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072952,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.174000Z","spacegroup":194}]}