{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=10159","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=10157","results":[{"id":"mp-568587","created_at":"2022-09-04T14:44:15.064562Z","structure_string":"Cr1 Cu1 Se2\n1.0\n6.460077 -1.874222 0.000000\n6.460077 1.874222 0.000000\n5.916321 0.000000 3.200383\nCr Cu Se\n1 1 2\ndirect\n0.000643 0.000643 0.000643 Cr\n0.857206 0.857206 0.857206 Cu\n0.734669 0.734669 0.734669 Se\n0.255482 0.255482 0.255482 Se\n","nsites":4,"nelements":3,"elements":["Cr","Cu","Se"],"chemical_system":"Cr-Cu-Se","density":5.859432634645769,"density_atomic":0.05161421361390654,"volume":77.49803242032289,"volume_molar":11.667601496455697,"formula_full":"Cr1 Cu1 Se2","formula_reduced":"CrCuSe2","formula_anonymous":"ABC2","energy":-23.14915662,"energy_per_atom":-5.787289155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.20515662,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0008647,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.365000Z","spacegroup":160},{"id":"mp-555345","created_at":"2022-09-04T14:45:42.848195Z","structure_string":"Cr1 Cu1 S2\n1.0\n6.490607 -1.639800 0.000000\n6.490607 1.639800 0.000000\n6.076325 0.000000 2.809840\nCr Cu S\n1 1 2\ndirect\n0.857513 0.857513 0.857513 Cr\n0.005569 0.005569 0.005569 Cu\n0.266656 0.266656 0.266656 S\n0.120262 0.120262 0.120262 S\n","nsites":4,"nelements":3,"elements":["Cr","Cu","S"],"chemical_system":"Cr-Cu-S","density":4.98817818906053,"density_atomic":0.06687629565383924,"volume":59.81192530017724,"volume_molar":9.004895832106817,"formula_full":"Cr1 Cu1 S2","formula_reduced":"CrCuS2","formula_anonymous":"ABC2","energy":-24.35883183,"energy_per_atom":-6.0897079575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.35283183,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1338207,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.630000Z","spacegroup":160},{"id":"mp-5862","created_at":"2022-09-04T14:43:24.483846Z","structure_string":"Cr1 Cu1 S2\n1.0\n6.204011 -1.761504 0.000000\n6.204011 1.761504 0.000000\n5.703867 0.000000 3.009743\nCr Cu S\n1 1 2\ndirect\n0.999422 0.999422 0.999422 Cr\n0.145920 0.145920 0.145920 Cu\n0.744865 0.744865 0.744865 S\n0.266093 0.266093 0.266093 S\n","nsites":4,"nelements":3,"elements":["Cr","Cu","S"],"chemical_system":"Cr-Cu-S","density":4.5353847947716055,"density_atomic":0.06080571361790065,"volume":65.7832917665559,"volume_molar":9.903906066858717,"formula_full":"Cr1 Cu1 S2","formula_reduced":"CrCuS2","formula_anonymous":"ABC2","energy":-25.09866994,"energy_per_atom":-6.274667485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.09266994,"band_gap":0.2196999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0008412,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.279000Z","spacegroup":160},{"id":"mp-1226246","created_at":"2022-09-04T14:40:04.100889Z","structure_string":"Cr1 Cu1 S2\n1.0\n-1.869807 -3.238600 0.000000\n3.739614 0.000000 0.000000\n1.869807 1.079533 6.205472\nCr Cu S\n1 1 2\ndirect\n0.533653 0.466347 0.600960 Cr\n0.108705 0.891295 0.326115 Cu\n0.257565 0.742435 0.772694 S\n0.772077 0.227923 0.316232 S\n","nsites":4,"nelements":3,"elements":["Cr","Cu","S"],"chemical_system":"Cr-Cu-S","density":3.9698201558787836,"density_atomic":0.05322321223795762,"volume":75.15517819774298,"volume_molar":11.314876548742284,"formula_full":"Cr1 Cu1 S2","formula_reduced":"CrCuS2","formula_anonymous":"ABC2","energy":-24.23262476,"energy_per_atom":-6.05815619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.22662476,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9999927,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.192000Z","spacegroup":160},{"id":"mp-1226296","created_at":"2022-09-04T14:43:52.964386Z","structure_string":"Cr1 Cu1 P2 Se6\n1.0\n5.414463 3.128261 0.000000\n-5.414463 3.128261 0.000000\n0.000000 2.014330 6.874049\nCr Cu P Se\n1 1 2 6\ndirect\n0.332898 0.667102 0.000000 Cr\n0.670366 0.329634 0.000000 Cu\n0.051572 0.052560 0.838618 P\n0.947440 0.948428 0.161382 P\n0.092248 0.430884 0.761694 Se\n0.413828 0.061126 0.761436 Se\n0.938874 0.586172 0.238564 Se\n0.569116 0.907752 0.238306 Se\n0.722189 0.738530 0.761931 Se\n0.261470 0.277811 0.238069 Se\n","nsites":10,"nelements":4,"elements":["Cr","Cu","P","Se"],"chemical_system":"Cr-Cu-P-Se","density":4.644036165367185,"density_atomic":0.042943655491518004,"volume":232.86326898685058,"volume_molar":14.023353836725567,"formula_full":"Cr1 Cu1 P2 Se6","formula_reduced":"CrCu(PSe3)2","formula_anonymous":"ABC2D6","energy":-50.55783608,"energy_per_atom":-5.0557836080000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.72583607999999,"band_gap":0.6399999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0031133,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.464000Z","spacegroup":5},{"id":"mp-1183696","created_at":"2022-09-04T14:42:55.367824Z","structure_string":"Cr1 Cu1 O3\n1.0\n3.698777 0.000000 0.000000\n0.000000 3.698777 0.000000\n0.000000 0.000000 3.698777\nCr Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Cr","Cu","O"],"chemical_system":"Cr-Cu-O","density":5.3666026694627424,"density_atomic":0.09880878502016002,"volume":50.60278799076263,"volume_molar":6.094742242576204,"formula_full":"Cr1 Cu1 O3","formula_reduced":"CrCuO3","formula_anonymous":"ABC3","energy":-33.71714013,"energy_per_atom":-6.743428025999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.65714013,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0001263,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.521000Z","spacegroup":221},{"id":"mp-1100441","created_at":"2022-09-04T14:47:55.617240Z","structure_string":"Cr1 Cu1 B1\n1.0\n0.000000 2.538226 2.538226\n2.538226 0.000000 2.538226\n2.538226 2.538226 0.000000\nCr Cu B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 B\n","nsites":3,"nelements":3,"elements":["Cr","Cu","B"],"chemical_system":"B-Cr-Cu","density":6.415258164244951,"density_atomic":0.09172767670165566,"volume":32.705505119872406,"volume_molar":6.56523851529241,"formula_full":"Cr1 Cu1 B1","formula_reduced":"CrCuB","formula_anonymous":"ABC","energy":-19.86999094,"energy_per_atom":-6.623330313333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.86999094,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9994674,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.064000Z","spacegroup":216},{"id":"mp-756950","created_at":"2022-09-04T14:44:28.088448Z","structure_string":"Cr1 Co5 O12\n1.0\n4.265236 2.460022 0.000000\n-4.265236 2.460022 0.000000\n0.000000 0.014634 9.796119\nCr Co O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Cr\n0.833379 0.166621 0.500000 Co\n0.333399 0.666601 0.000000 Co\n0.666601 0.333399 0.000000 Co\n0.166621 0.833379 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.999624 0.340180 0.901578 O\n0.659820 0.000376 0.098422 O\n0.833124 0.499875 0.596843 O\n0.499875 0.833124 0.596843 O\n0.500125 0.166876 0.403157 O\n0.833548 0.833548 0.403154 O\n0.166876 0.500125 0.403157 O\n0.340180 0.999624 0.901578 O\n0.659919 0.659919 0.901696 O\n0.000376 0.659820 0.098422 O\n0.340081 0.340081 0.098304 O\n0.166452 0.166452 0.596846 O\n","nsites":18,"nelements":3,"elements":["Cr","Co","O"],"chemical_system":"Co-Cr-O","density":4.351045122799205,"density_atomic":0.08756013049170684,"volume":205.57301478330768,"volume_molar":6.877720174903554,"formula_full":"Cr1 Co5 O12","formula_reduced":"CrCo5O12","formula_anonymous":"AB5C12","energy":-125.03642228,"energy_per_atom":-6.946467904444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.60342228,"band_gap":0.4535999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0333378,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.350000Z","spacegroup":12},{"id":"mp-1226307","created_at":"2022-09-04T14:45:27.506603Z","structure_string":"Cr1 Co4 Sb1 O8\n1.0\n3.014541 5.266308 0.000000\n-3.014541 5.266308 0.000000\n0.000000 3.446959 5.071528\nCr Co Sb O\n1 4 1 8\ndirect\n0.000000 0.000000 0.500000 Cr\n0.362121 0.362121 0.901864 Co\n0.637879 0.637879 0.098136 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sb\n0.231591 0.231591 0.289826 O\n0.230447 0.230447 0.758698 O\n0.226702 0.773851 0.752919 O\n0.773851 0.226702 0.752919 O\n0.768409 0.768409 0.710174 O\n0.769553 0.769553 0.241302 O\n0.773298 0.226149 0.247081 O\n0.226149 0.773298 0.247081 O\n","nsites":14,"nelements":4,"elements":["Cr","Co","Sb","O"],"chemical_system":"Co-Cr-O-Sb","density":5.5426624310334,"density_atomic":0.08694242757652404,"volume":161.02609957235933,"volume_molar":6.926584554703742,"formula_full":"Cr1 Co4 Sb1 O8","formula_reduced":"CrCo4SbO8","formula_anonymous":"ABC4D8","energy":-105.27973171,"energy_per_atom":-7.519980836428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.23273171,"band_gap":0.9511000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.9994592,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.026000Z","spacegroup":12},{"id":"mp-775991","created_at":"2022-09-04T14:46:17.905698Z","structure_string":"Cr1 Co3 P4 O16\n1.0\n5.834495 0.000000 0.000000\n0.000000 4.782903 0.000000\n0.000000 0.153311 9.881649\nCr Co P O\n1 3 4 16\ndirect\n0.000000 0.032947 0.729007 Cr\n0.500000 0.946679 0.279199 Co\n0.500000 0.528856 0.770748 Co\n0.000000 0.447494 0.220110 Co\n0.000000 0.909823 0.406428 P\n0.000000 0.590298 0.905027 P\n0.500000 0.418299 0.094282 P\n0.500000 0.090272 0.595116 P\n0.000000 0.827113 0.555452 O\n0.207016 0.766166 0.330066 O\n0.792984 0.766166 0.330066 O\n0.500000 0.771043 0.618774 O\n0.500000 0.733698 0.112648 O\n0.204405 0.743644 0.829726 O\n0.795595 0.743644 0.829726 O\n0.000000 0.664121 0.055473 O\n0.500000 0.347944 0.942388 O\n0.705482 0.267312 0.169345 O\n0.294518 0.267312 0.169345 O\n0.000000 0.275685 0.887264 O\n0.000000 0.227620 0.386126 O\n0.706296 0.234939 0.669591 O\n0.293704 0.234939 0.669591 O\n0.500000 0.163985 0.444502 O\n","nsites":24,"nelements":4,"elements":["Cr","Co","P","O"],"chemical_system":"Co-Cr-O-P","density":3.665343398701702,"density_atomic":0.08703360505184501,"volume":275.75555425635247,"volume_molar":6.919328179514883,"formula_full":"Cr1 Co3 P4 O16","formula_reduced":"CrCo3(PO4)4","formula_anonymous":"AB3C4D16","energy":-183.76881034,"energy_per_atom":-7.657033764166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.86381034,"band_gap":0.2255000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0084306,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.451000Z","spacegroup":6},{"id":"mp-753507","created_at":"2022-09-04T14:45:00.220528Z","structure_string":"Cr1 Co3 O8\n1.0\n5.118909 -2.869711 0.000000\n5.118909 2.869711 0.000000\n3.510120 0.000000 4.702928\nCr Co O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.275367 0.764457 0.764457 O\n0.764457 0.764457 0.275367 O\n0.764457 0.275367 0.764457 O\n0.268135 0.268135 0.268135 O\n0.731865 0.731865 0.731865 O\n0.235543 0.724633 0.235543 O\n0.235543 0.235543 0.724633 O\n0.724633 0.235543 0.235543 O\n","nsites":12,"nelements":3,"elements":["Cr","Co","O"],"chemical_system":"Co-Cr-O","density":4.287942482785396,"density_atomic":0.08684950528724834,"volume":138.17004438091942,"volume_molar":6.933995467311198,"formula_full":"Cr1 Co3 O8","formula_reduced":"CrCo3O8","formula_anonymous":"AB3C8","energy":-85.63177744000001,"energy_per_atom":-7.135981453333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.22277744,"band_gap":0.7062999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9997739,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.394000Z","spacegroup":166},{"id":"mp-754623","created_at":"2022-09-04T14:42:19.226895Z","structure_string":"Cr1 Co3 O8\n1.0\n5.025909 -2.842344 0.000000\n5.025909 2.842344 0.000000\n3.418454 0.000000 4.653262\nCr Co O\n1 3 8\ndirect\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.265682 0.265682 0.265682 O\n0.261276 0.261276 0.702429 O\n0.702429 0.261276 0.261276 O\n0.261276 0.702429 0.261276 O\n0.738724 0.297571 0.738724 O\n0.297571 0.738724 0.738724 O\n0.738724 0.738724 0.297571 O\n0.734318 0.734318 0.734318 O\n","nsites":12,"nelements":3,"elements":["Cr","Co","O"],"chemical_system":"Co-Cr-O","density":4.456399200727292,"density_atomic":0.09026148729827185,"volume":132.9470670070573,"volume_molar":6.671882926213758,"formula_full":"Cr1 Co3 O8","formula_reduced":"CrCo3O8","formula_anonymous":"AB3C8","energy":-85.22241143000001,"energy_per_atom":-7.101867619166668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.81341143,"band_gap":0.4764,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9986321,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.120000Z","spacegroup":166}]}