{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=formula_reduced&page=3","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=formula_reduced","results":[{"id":"oqmd-1214768","created_at":"2022-09-04T15:39:05.396345Z","updated_at":"2022-09-04T15:39:05.396376Z","structure_string":"Ac29\n1.0\n6.874421 6.874421 6.874421\n6.874421 -6.874421 -6.874421\n-6.874421 6.874421 -6.874421\nAc\n29\ndirect\n0.000000 0.000000 0.000000 Ac\n0.641554 0.000000 0.000000 Ac\n0.377387 0.189049 0.000000 Ac\n0.189049 0.377387 0.000000 Ac\n0.684655 0.416141 0.000000 Ac\n0.000000 0.641554 0.000000 Ac\n0.416141 0.684655 0.000000 Ac\n0.810951 0.810951 0.188337 Ac\n0.377387 0.000000 0.189049 Ac\n0.000000 0.377387 0.189049 Ac\n0.583859 0.583859 0.268514 Ac\n0.731487 0.315346 0.315346 Ac\n0.315346 0.731487 0.315346 Ac\n0.358446 0.358446 0.358446 Ac\n0.189049 0.000000 0.377387 Ac\n0.000000 0.189049 0.377387 Ac\n0.684655 0.000000 0.416141 Ac\n0.000000 0.684655 0.416141 Ac\n0.583859 0.268514 0.583859 Ac\n0.268514 0.583859 0.583859 Ac\n0.811663 0.622613 0.622613 Ac\n0.622613 0.811663 0.622613 Ac\n0.000000 0.000000 0.641554 Ac\n0.416141 0.000000 0.684655 Ac\n0.000000 0.416141 0.684655 Ac\n0.315346 0.315346 0.731487 Ac\n0.810951 0.188337 0.810951 Ac\n0.188337 0.810951 0.810951 Ac\n0.622613 0.622613 0.811663 Ac\n","nsites":29,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.412103061112218,"density_atomic":0.022316682263943295,"volume":1299.476313594106,"volume_molar":26.984928533619335,"formula_full":"Ac29","formula_reduced":"Ac","formula_anonymous":"A","formation_energy":0.14586543353448,"spacegroup":217},{"id":"oqmd-1216015","created_at":"2022-09-04T15:39:05.832588Z","updated_at":"2022-09-04T15:39:05.832611Z","structure_string":"Ac3\n1.0\n-2.000401 -3.464796 0.000000\n4.000802 0.000000 -0.000000\n2.000401 1.154932 9.712832\nAc\n3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.777423 0.222575 0.332273 Ac\n0.222576 0.777424 0.667727 Ac\n","nsites":3,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.3989617698368,"density_atomic":0.022281819397927404,"volume":134.63891554022075,"volume_molar":27.02715003856536,"formula_full":"Ac3","formula_reduced":"Ac","formula_anonymous":"A","formation_energy":0.0032858091666696,"spacegroup":166},{"id":"oqmd-1215302","created_at":"2022-09-04T15:39:04.845389Z","updated_at":"2022-09-04T15:39:04.845421Z","structure_string":"Ac2\n1.0\n4.001456 0.000000 0.000000\n-2.000727 3.465362 0.000000\n0.000000 0.000000 6.492019\nAc\n2\ndirect\n0.333333 0.666666 0.249999 Ac\n0.666667 0.333333 0.749999 Ac\n","nsites":2,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.374492801855768,"density_atomic":0.022216905050136817,"volume":90.0215397008092,"volume_molar":27.106119175510063,"formula_full":"Ac2","formula_reduced":"Ac","formula_anonymous":"A","formation_energy":0.0222485025000001,"spacegroup":194},{"id":"oqmd-1214946","created_at":"2022-09-04T15:39:04.078859Z","updated_at":"2022-09-04T15:39:04.078886Z","structure_string":"Ac8\n1.0\n7.095451 0.000000 0.000000\n0.000000 7.095451 0.000000\n0.000000 0.000000 7.095451\nAc\n8\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500001 0.250000 0.000000 Ac\n0.500001 0.750000 0.000000 Ac\n0.000000 0.500001 0.250000 Ac\n0.250000 0.000000 0.500001 Ac\n0.750000 0.000000 0.500001 Ac\n0.500001 0.500001 0.500001 Ac\n0.000000 0.500001 0.750000 Ac\n","nsites":8,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.441603040483548,"density_atomic":0.022394943509869567,"volume":357.22349540530695,"volume_molar":26.890627151374645,"formula_full":"Ac8","formula_reduced":"Ac","formula_anonymous":"A","formation_energy":0.18291737375,"spacegroup":223},{"id":"oqmd-1215124","created_at":"2022-09-04T15:39:04.549417Z","updated_at":"2022-09-04T15:39:04.549444Z","structure_string":"Ac1\n1.0\n2.245642 2.245642 2.245642\n2.245642 -2.245642 -2.245642\n-2.245642 2.245642 -2.245642\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n","nsites":1,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.321342479549553,"density_atomic":0.022075901207635494,"volume":45.2982639573566,"volume_molar":27.27925217348361,"formula_full":"Ac1","formula_reduced":"Ac","formula_anonymous":"A","formation_energy":0.1352202025,"spacegroup":229},{"id":"oqmd-1215035","created_at":"2022-09-04T15:39:04.354036Z","updated_at":"2022-09-04T15:39:04.354062Z","structure_string":"Ac4\n1.0\n0.000000 0.000000 4.064666\n6.529572 0.000000 0.000000\n3.264785 6.940622 0.000000\nAc\n4\ndirect\n0.520808 0.864365 0.271270 Ac\n0.979192 0.364366 0.271270 Ac\n0.020809 0.635635 0.728730 Ac\n0.479191 0.135636 0.728730 Ac\n","nsites":4,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.185156238287442,"density_atomic":0.021714609262816473,"volume":184.20778157171333,"volume_molar":27.733129742804792,"formula_full":"Ac4","formula_reduced":"Ac","formula_anonymous":"A","formation_energy":0.1870495625,"spacegroup":64},{"id":"oqmd-1215392","created_at":"2022-09-04T15:39:04.999151Z","updated_at":"2022-09-04T15:39:04.999174Z","structure_string":"Ac4\n1.0\n4.007733 0.000000 0.000000\n-2.003867 3.470798 0.000000\n0.000000 0.000000 12.944740\nAc\n4\ndirect\n0.000000 0.000000 0.000000 Ac\n0.333334 0.666668 0.250000 Ac\n0.000000 0.000000 0.500000 Ac\n0.666667 0.333333 0.750000 Ac\n","nsites":4,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.373624753114912,"density_atomic":0.022214602181543964,"volume":180.06174350145358,"volume_molar":27.10892912141922,"formula_full":"Ac4","formula_reduced":"Ac","formula_anonymous":"A","formation_energy":0.0,"spacegroup":194},{"id":"oqmd-692361","created_at":"2022-09-04T15:17:47.526541Z","updated_at":"2022-09-04T15:17:47.526557Z","structure_string":"Ac2 Ag2 O5\n1.0\n7.410680 0.000000 0.000000\n0.000000 4.226489 0.000000\n0.000000 0.000000 4.226489\nAc Ag O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.000000 0.000000 Ac\n0.201795 0.499999 0.499999 Ag\n0.798205 0.499999 0.499999 Ag\n0.219335 0.499999 0.000000 O\n0.780665 0.499999 0.000000 O\n0.219335 0.000000 0.499999 O\n0.780665 0.000000 0.499999 O\n0.500000 0.499999 0.499999 O\n","nsites":9,"nelements":3,"elements":["Ac","Ag","O"],"chemical_system":"Ac-Ag-O","density":9.404558445541488,"density_atomic":0.06798685677847982,"volume":132.37852765166826,"volume_molar":8.857801412443317,"formula_full":"Ac2 Ag2 O5","formula_reduced":"Ac2Ag2O5","formula_anonymous":"A2B2C5","formation_energy":-1.94810152215486,"spacegroup":123},{"id":"oqmd-692375","created_at":"2022-09-04T15:17:49.764910Z","updated_at":"2022-09-04T15:17:49.764935Z","structure_string":"Ac2 Ag2 O5\n1.0\n8.356358 0.000000 0.000000\n0.000000 4.536151 0.000000\n0.000000 0.000000 4.536151\nAc Ag O\n2 2 5\ndirect\n0.224652 0.500001 0.500001 Ac\n0.775347 0.500001 0.500001 Ac\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.179813 0.500001 0.000000 O\n0.820186 0.500001 0.000000 O\n0.179813 0.000000 0.500001 O\n0.820186 0.000000 0.500001 O\n0.500000 0.500001 0.500001 O\n","nsites":9,"nelements":3,"elements":["Ac","Ag","O"],"chemical_system":"Ac-Ag-O","density":7.240422555906177,"density_atomic":0.05234201841314895,"volume":171.94598666334753,"volume_molar":11.505365942264019,"formula_full":"Ac2 Ag2 O5","formula_reduced":"Ac2Ag2O5","formula_anonymous":"A2B2C5","formation_energy":-1.55555471437709,"spacegroup":123},{"id":"oqmd-1038948","created_at":"2022-09-04T15:31:07.599543Z","updated_at":"2022-09-04T15:31:07.599567Z","structure_string":"Ac8 Ag12 Hg12 O48\n1.0\n6.893833 6.893833 6.893833\n-6.893833 6.893833 -6.893833\n-6.893833 -6.893833 6.893833\nAc Ag Hg O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Ac\n0.499999 0.000000 0.000000 Ac\n0.000000 0.499999 0.000000 Ac\n0.500001 0.500001 0.000000 Ac\n0.000000 0.000000 0.499999 Ac\n0.499999 0.499999 0.499999 Ac\n0.500001 0.000000 0.500001 Ac\n0.000000 0.500001 0.500001 Ac\n0.750000 0.375000 0.124999 Ag\n0.874999 0.749999 0.125000 Ag\n0.125000 0.375000 0.250000 Ag\n0.625000 0.874999 0.250000 Ag\n0.250000 0.125000 0.375000 Ag\n0.625000 0.250000 0.375000 Ag\n0.750000 0.875001 0.625000 Ag\n0.375000 0.750000 0.625001 Ag\n0.375000 0.124999 0.750000 Ag\n0.875001 0.625000 0.750000 Ag\n0.250000 0.625000 0.874999 Ag\n0.125001 0.250001 0.875001 Ag\n0.375000 0.250000 0.125000 Hg\n0.250001 0.875001 0.125001 Hg\n0.375000 0.625000 0.250000 Hg\n0.875001 0.125001 0.250001 Hg\n0.750000 0.625001 0.375000 Hg\n0.124999 0.750000 0.375000 Hg\n0.874999 0.250000 0.625000 Hg\n0.250000 0.375000 0.625000 Hg\n0.125000 0.874999 0.749999 Hg\n0.625001 0.375000 0.750000 Hg\n0.749999 0.125000 0.874999 Hg\n0.625000 0.750000 0.875001 Hg\n0.317685 0.382462 0.035162 O\n0.217477 0.652700 0.035163 O\n0.847300 0.882462 0.064777 O\n0.717478 0.182314 0.064777 O\n0.652700 0.935224 0.117537 O\n0.964838 0.182314 0.117538 O\n0.035163 0.717478 0.152700 O\n0.617538 0.435223 0.152700 O\n0.464838 0.117537 0.182314 O\n0.217477 0.064777 0.182315 O\n0.152700 0.535163 0.217477 O\n0.564777 0.682315 0.217477 O\n0.317686 0.435223 0.282524 O\n0.464838 0.847300 0.282524 O\n0.882462 0.535162 0.317685 O\n0.935224 0.782524 0.317686 O\n0.282523 0.964838 0.347300 O\n0.564778 0.382464 0.347301 O\n0.064777 0.347300 0.382462 O\n0.817686 0.035163 0.382463 O\n0.117537 0.152700 0.435223 O\n0.817685 0.282524 0.435223 O\n0.617537 0.682315 0.464838 O\n0.347300 0.782523 0.464838 O\n0.652700 0.217477 0.535162 O\n0.382464 0.317686 0.535163 O\n0.182315 0.717477 0.564777 O\n0.882463 0.847301 0.564778 O\n0.182314 0.964838 0.617537 O\n0.935223 0.652700 0.617538 O\n0.435223 0.617537 0.652700 O\n0.717478 0.035162 0.652701 O\n0.064777 0.217477 0.682315 O\n0.117538 0.464838 0.682315 O\n0.535162 0.152700 0.717477 O\n0.682315 0.564778 0.717478 O\n0.435223 0.317685 0.782523 O\n0.847301 0.464838 0.782523 O\n0.782523 0.935223 0.817685 O\n0.535163 0.882463 0.817686 O\n0.382462 0.564777 0.847300 O\n0.964838 0.282524 0.847301 O\n0.035162 0.817685 0.882462 O\n0.347300 0.064777 0.882463 O\n0.152700 0.117538 0.935223 O\n0.282524 0.817687 0.935224 O\n0.682315 0.617538 0.964838 O\n0.782524 0.347301 0.964838 O\n","nsites":80,"nelements":4,"elements":["Ac","Ag","Hg","O"],"chemical_system":"Ac-Ag-Hg-O","density":7.9642440648638475,"density_atomic":0.06104466571239702,"volume":1310.5158176622385,"volume_molar":9.865138402710619,"formula_full":"Ac8 Ag12 Hg12 O48","formula_reduced":"Ac2Ag3(HgO4)3","formula_anonymous":"A2B3C3D12","formation_energy":-0.788119595647193,"spacegroup":230},{"id":"oqmd-1038976","created_at":"2022-09-04T15:31:07.894554Z","updated_at":"2022-09-04T15:31:07.894585Z","structure_string":"Ac8 Ag12 Hg12 O48\n1.0\n6.743570 6.743570 6.743570\n-6.743570 6.743570 -6.743570\n-6.743570 -6.743570 6.743570\nAc Ag Hg O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Ac\n0.499999 0.000000 0.000000 Ac\n0.000000 0.499999 0.000000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.499999 Ac\n0.499999 0.499999 0.499999 Ac\n0.500000 0.000000 0.500000 Ac\n0.000000 0.500000 0.500000 Ac\n0.375000 0.250000 0.125001 Ag\n0.250000 0.875000 0.125001 Ag\n0.375000 0.625000 0.250000 Ag\n0.875000 0.125001 0.250000 Ag\n0.124999 0.750000 0.374999 Ag\n0.750000 0.625001 0.375000 Ag\n0.874999 0.250000 0.625000 Ag\n0.250000 0.375000 0.625000 Ag\n0.625001 0.375000 0.750000 Ag\n0.125001 0.875001 0.750000 Ag\n0.625000 0.750000 0.875000 Ag\n0.750000 0.125001 0.875001 Ag\n0.750000 0.374999 0.124999 Hg\n0.875001 0.750000 0.125001 Hg\n0.125001 0.375000 0.250000 Hg\n0.625000 0.874999 0.250000 Hg\n0.250000 0.125001 0.375000 Hg\n0.625000 0.250000 0.375000 Hg\n0.750000 0.875000 0.625000 Hg\n0.375000 0.750000 0.625001 Hg\n0.374999 0.124999 0.750000 Hg\n0.875000 0.625000 0.750000 Hg\n0.250000 0.625000 0.874999 Hg\n0.125001 0.250000 0.875000 Hg\n0.319438 0.432914 0.064345 O\n0.244907 0.631433 0.064346 O\n0.935654 0.180562 0.067086 O\n0.631431 0.886525 0.067086 O\n0.744907 0.180562 0.113475 O\n0.868570 0.932915 0.113476 O\n0.567085 0.386524 0.131430 O\n0.064345 0.744907 0.131432 O\n0.435655 0.067086 0.180562 O\n0.244907 0.113476 0.180562 O\n0.131432 0.564346 0.244907 O\n0.613476 0.680561 0.244907 O\n0.435654 0.868568 0.255093 O\n0.319439 0.386525 0.255093 O\n0.932914 0.564345 0.319438 O\n0.886525 0.755093 0.319439 O\n0.613476 0.432914 0.368569 O\n0.255093 0.935654 0.368569 O\n0.819438 0.255093 0.386525 O\n0.067086 0.131432 0.386525 O\n0.819439 0.064346 0.432914 O\n0.113476 0.368569 0.432914 O\n0.567087 0.680562 0.435655 O\n0.368569 0.755093 0.435655 O\n0.631431 0.244907 0.564346 O\n0.432914 0.319439 0.564346 O\n0.886525 0.631431 0.567085 O\n0.180562 0.935654 0.567085 O\n0.932914 0.868569 0.613476 O\n0.180562 0.744907 0.613476 O\n0.744907 0.064345 0.631431 O\n0.386525 0.567087 0.631433 O\n0.067085 0.435654 0.680561 O\n0.113476 0.244907 0.680562 O\n0.564345 0.131430 0.744907 O\n0.680562 0.613476 0.744907 O\n0.386524 0.319438 0.755093 O\n0.868569 0.435655 0.755093 O\n0.755093 0.886525 0.819438 O\n0.564346 0.932914 0.819439 O\n0.432914 0.613476 0.868568 O\n0.935655 0.255093 0.868569 O\n0.131432 0.067086 0.886525 O\n0.255093 0.819438 0.886525 O\n0.368568 0.113475 0.932914 O\n0.064345 0.819438 0.932915 O\n0.755093 0.368569 0.935654 O\n0.680561 0.567085 0.935654 O\n","nsites":80,"nelements":4,"elements":["Ac","Ag","Hg","O"],"chemical_system":"Ac-Ag-Hg-O","density":8.50858274192094,"density_atomic":0.06521693520899322,"volume":1226.6752453735091,"volume_molar":9.234013743058513,"formula_full":"Ac8 Ag12 Hg12 O48","formula_reduced":"Ac2Ag3(HgO4)3","formula_anonymous":"A2B3C3D12","formation_energy":-0.685313909522193,"spacegroup":230},{"id":"oqmd-402544","created_at":"2022-09-04T15:16:01.263625Z","updated_at":"2022-09-04T15:16:01.263645Z","structure_string":"Ac2 Ag1 As1\n1.0\n0.000000 3.891610 3.891610\n3.891610 0.000000 3.891610\n3.891610 3.891610 0.000000\nAc Ag As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Ac\n0.249999 0.249999 0.249999 Ag\n0.749999 0.749999 0.749999 As\n","nsites":4,"nelements":3,"elements":["Ac","Ag","As"],"chemical_system":"Ac-Ag-As","density":8.970719310643986,"density_atomic":0.03393454758591763,"volume":117.87397459396055,"volume_molar":17.74634167363736,"formula_full":"Ac2 Ag1 As1","formula_reduced":"Ac2AgAs","formula_anonymous":"ABC2","formation_energy":-0.607473271875,"spacegroup":225}]}