{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-updated_at&page=36","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-updated_at&page=34","results":[{"id":"oqmd-1745267","created_at":"2022-09-04T16:03:16.682548Z","updated_at":"2022-09-04T16:03:16.682582Z","structure_string":"Ti3 Ag1 S6\n1.0\n2.960934 1.709496 6.423805\n-2.960934 1.709496 6.423805\n0.000000 -3.418992 6.423805\nAg S Ti\n1 6 3\ndirect\n0.500000 0.500000 0.500000 Ag\n0.746606 0.408398 0.068568 S\n0.591602 0.931432 0.253394 S\n0.068568 0.746606 0.408398 S\n0.931432 0.253394 0.591602 S\n0.408398 0.068568 0.746606 S\n0.253394 0.591602 0.931432 S\n0.000000 0.000000 0.000000 Ti\n0.333632 0.333632 0.333632 Ti\n0.666368 0.666368 0.666368 Ti\n","nsites":10,"nelements":3,"elements":["Ag","S","Ti"],"chemical_system":"Ag-S-Ti","density":3.7779300120102492,"density_atomic":0.05125775543599535,"volume":195.09242874450135,"volume_molar":11.748740671096574,"formula_full":"Ti3 Ag1 S6","formula_reduced":"Ti3AgS6","formula_anonymous":"AB3C6","formation_energy":-1.3252351092938937,"spacegroup":148},{"id":"oqmd-1713266","created_at":"2022-09-04T16:03:16.681979Z","updated_at":"2022-09-04T16:03:16.682001Z","structure_string":"Mg1 V1 C2 O6\n1.0\n2.350698 1.357176 4.977515\n-2.350698 1.357176 4.977515\n0.000000 -2.714352 4.977515\nC Mg O V\n2 1 6 1\ndirect\n0.247871 0.247871 0.247871 C\n0.752129 0.752129 0.752129 C\n0.500000 0.500000 0.500000 Mg\n0.482958 0.739730 0.032906 O\n0.967094 0.517042 0.260270 O\n0.739730 0.032906 0.482958 O\n0.260270 0.967094 0.517042 O\n0.032906 0.482958 0.739730 O\n0.517042 0.260270 0.967094 O\n0.000000 0.000000 0.000000 V\n","nsites":10,"nelements":4,"elements":["C","Mg","O","V"],"chemical_system":"C-Mg-O-V","density":3.403103123170557,"density_atomic":0.10495500731885445,"volume":95.27892242072731,"volume_molar":5.737830822787398,"formula_full":"Mg1 V1 C2 O6","formula_reduced":"MgV(CO3)2","formula_anonymous":"ABC2D6","formation_energy":-2.170758355472381,"spacegroup":148},{"id":"oqmd-1713171","created_at":"2022-09-04T16:03:16.680379Z","updated_at":"2022-09-04T16:03:16.680399Z","structure_string":"Sr1 Nd2 Ir1 O6\n1.0\n2.949398 1.702836 4.811755\n-2.949398 1.702836 4.811755\n0.000000 -3.405671 4.811755\nIr Nd O Sr\n1 2 6 1\ndirect\n0.500000 0.500000 0.500000 Ir\n0.250102 0.250102 0.250102 Nd\n0.749898 0.749898 0.749898 Nd\n0.267451 0.732537 0.267451 O\n0.732537 0.267451 0.267451 O\n0.732549 0.732549 0.267463 O\n0.267451 0.267451 0.732537 O\n0.732549 0.267463 0.732549 O\n0.267463 0.732549 0.732549 O\n0.000000 0.000000 0.000000 Sr\n","nsites":10,"nelements":4,"elements":["Ir","Nd","O","Sr"],"chemical_system":"Ir-Nd-O-Sr","density":7.607883420454112,"density_atomic":0.06896664886314564,"volume":144.99762080427536,"volume_molar":8.731960823484506,"formula_full":"Sr1 Nd2 Ir1 O6","formula_reduced":"SrNd2IrO6","formula_anonymous":"ABC2D6","formation_energy":-2.227641072527252,"spacegroup":225},{"id":"oqmd-1724888","created_at":"2022-09-04T16:03:16.679457Z","updated_at":"2022-09-04T16:03:16.679465Z","structure_string":"Hf2 Fe2 O6\n1.0\n2.698636 1.558058 4.709994\n-2.698636 1.558058 4.709994\n0.000000 -3.116117 4.709994\nFe Hf O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.750000 0.385238 0.114762 O\n0.614762 0.885238 0.250000 O\n0.114762 0.750000 0.385238 O\n0.885238 0.250000 0.614762 O\n0.385238 0.114762 0.750000 O\n0.250000 0.614762 0.885238 O\n","nsites":10,"nelements":3,"elements":["Fe","Hf","O"],"chemical_system":"Fe-Hf-O","density":7.891170304294046,"density_atomic":0.08415896244227258,"volume":118.82275766956289,"volume_molar":7.155673721774773,"formula_full":"Hf2 Fe2 O6","formula_reduced":"HfFeO3","formula_anonymous":"ABC3","formation_energy":-2.8537661222101023,"spacegroup":167},{"id":"oqmd-1725568","created_at":"2022-09-04T16:03:16.679138Z","updated_at":"2022-09-04T16:03:16.679158Z","structure_string":"Tm1 Nb1 Pb2 O6\n1.0\n-2.895251 2.895251 4.212074\n2.895251 -2.895251 4.212074\n2.895251 2.895251 -4.212074\nNb O Pb Tm\n1 6 2 1\ndirect\n0.500000 0.500000 0.000000 Nb\n0.260717 0.260717 0.000000 O\n0.739283 0.739283 0.000000 O\n0.322622 0.798529 0.121150 O\n0.798529 0.677378 0.475907 O\n0.201471 0.322622 0.524093 O\n0.677378 0.201471 0.878850 O\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.000000 0.000000 0.000000 Tm\n","nsites":10,"nelements":4,"elements":["Nb","O","Pb","Tm"],"chemical_system":"Nb-O-Pb-Tm","density":9.07969527755306,"density_atomic":0.07080624697636896,"volume":141.23047650495334,"volume_molar":8.505098091147019,"formula_full":"Tm1 Nb1 Pb2 O6","formula_reduced":"TmNb(PbO3)2","formula_anonymous":"ABC2D6","formation_energy":-2.521820014527252,"spacegroup":87},{"id":"oqmd-1725921","created_at":"2022-09-04T16:03:16.650777Z","updated_at":"2022-09-04T16:03:16.650798Z","structure_string":"K2 In1 Co1 F6\n1.0\n0.000000 4.175391 4.175391\n4.175391 0.000000 4.175391\n4.175391 4.175391 0.000000\nCo F In K\n1 6 1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.756848 0.243152 0.243152 F\n0.243152 0.756848 0.243152 F\n0.756848 0.756848 0.243152 F\n0.243152 0.243152 0.756848 F\n0.756848 0.243152 0.756848 F\n0.243152 0.756848 0.756848 F\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n","nsites":10,"nelements":4,"elements":["Co","F","In","K"],"chemical_system":"Co-F-In-K","density":4.173836319822567,"density_atomic":0.06868763321373324,"volume":145.58661482603864,"volume_molar":8.767430872543075,"formula_full":"K2 In1 Co1 F6","formula_reduced":"K2InCoF6","formula_anonymous":"ABC2D6","formation_energy":-2.4821502124786634,"spacegroup":225},{"id":"oqmd-1743460","created_at":"2022-09-04T16:03:16.650231Z","updated_at":"2022-09-04T16:03:16.650250Z","structure_string":"Mn2 Ir2 O6\n1.0\n2.640001 1.524206 4.645410\n-2.640001 1.524206 4.645410\n0.000000 -3.048411 4.645410\nIr Mn O\n2 2 6\ndirect\n0.158323 0.158323 0.158323 Ir\n0.841677 0.841677 0.841677 Ir\n0.362858 0.362858 0.362858 Mn\n0.637142 0.637142 0.637142 Mn\n0.440257 0.768491 0.052336 O\n0.947664 0.559743 0.231509 O\n0.768491 0.052336 0.440257 O\n0.231509 0.947664 0.559743 O\n0.052336 0.440257 0.768491 O\n0.559743 0.231509 0.947664 O\n","nsites":10,"nelements":3,"elements":["Ir","Mn","O"],"chemical_system":"Ir-Mn-O","density":8.739844210518267,"density_atomic":0.08916143218144318,"volume":112.15611677984307,"volume_molar":6.7541992234321295,"formula_full":"Mn2 Ir2 O6","formula_reduced":"MnIrO3","formula_anonymous":"ABC3","formation_energy":-1.3886783669696257,"spacegroup":148},{"id":"oqmd-1710626","created_at":"2022-09-04T16:03:16.640513Z","updated_at":"2022-09-04T16:03:16.640534Z","structure_string":"Nd2 Ni2 O6\n1.0\n2.725955 1.573831 4.268115\n-2.725955 1.573831 4.268115\n0.000000 -3.147661 4.268115\nNd Ni O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.750000 0.315793 0.184207 O\n0.684207 0.815793 0.250000 O\n0.184207 0.750000 0.315793 O\n0.815793 0.250000 0.684207 O\n0.315793 0.184207 0.750000 O\n0.250000 0.684207 0.815793 O\n","nsites":10,"nelements":3,"elements":["Nd","Ni","O"],"chemical_system":"Nd-Ni-O","density":7.585319210144293,"density_atomic":0.09101981561816938,"volume":109.86618608359166,"volume_molar":6.616296373597421,"formula_full":"Nd2 Ni2 O6","formula_reduced":"NdNiO3","formula_anonymous":"ABC3","formation_energy":-2.322851587814789,"spacegroup":167},{"id":"oqmd-1713136","created_at":"2022-09-04T16:03:16.638248Z","updated_at":"2022-09-04T16:03:16.638258Z","structure_string":"Yb2 Ce2 O6\n1.0\n-2.844316 2.844316 4.467011\n2.844316 -2.844316 4.467011\n2.844316 2.844316 -4.467011\nCe O Yb\n2 6 2\ndirect\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.367781 0.867781 0.235562 O\n0.132219 0.367781 0.500000 O\n0.867781 0.632219 0.500000 O\n0.632219 0.132219 0.764438 O\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Yb\n","nsites":10,"nelements":3,"elements":["Ce","O","Yb"],"chemical_system":"Ce-O-Yb","density":8.29734333399822,"density_atomic":0.06917788787815948,"volume":144.55486148424535,"volume_molar":8.70529723400428,"formula_full":"Yb2 Ce2 O6","formula_reduced":"YbCeO3","formula_anonymous":"ABC3","formation_energy":-2.9059716210272533,"spacegroup":140},{"id":"oqmd-1718383","created_at":"2022-09-04T16:03:16.635920Z","updated_at":"2022-09-04T16:03:16.635947Z","structure_string":"La2 Hg1 Mo1 O6\n1.0\n3.177681 1.834635 5.016714\n-3.177681 1.834635 5.016714\n0.000000 -3.669270 5.016714\nHg La Mo O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Hg\n0.211276 0.211276 0.211276 La\n0.788724 0.788724 0.788724 La\n0.000000 0.000000 0.000000 Mo\n0.114018 0.651013 0.001822 O\n0.651013 0.001822 0.114018 O\n0.998178 0.885982 0.348987 O\n0.001822 0.114018 0.651013 O\n0.348987 0.998178 0.885982 O\n0.885982 0.348987 0.998178 O\n","nsites":10,"nelements":4,"elements":["Hg","La","Mo","O"],"chemical_system":"Hg-La-Mo-O","density":6.343251695756078,"density_atomic":0.05698616550459934,"volume":175.48118760847143,"volume_molar":10.567724125101828,"formula_full":"La2 Hg1 Mo1 O6","formula_reduced":"La2HgMoO6","formula_anonymous":"ABC2D6","formation_energy":-2.6889672160238787,"spacegroup":148},{"id":"oqmd-1716181","created_at":"2022-09-04T16:03:16.628106Z","updated_at":"2022-09-04T16:03:16.628127Z","structure_string":"Ba2 Eu1 W1 O6\n1.0\n3.015263 1.740863 4.921824\n-3.015263 1.740863 4.921824\n0.000000 -3.481726 4.921824\nBa Eu O W\n2 1 6 1\ndirect\n0.250065 0.250065 0.250065 Ba\n0.749935 0.749935 0.749935 Ba\n0.000000 0.000000 0.000000 Eu\n0.727202 0.272787 0.272787 O\n0.272787 0.727202 0.272787 O\n0.727213 0.727213 0.272798 O\n0.272787 0.272787 0.727202 O\n0.727213 0.272798 0.727213 O\n0.272798 0.727213 0.727213 O\n0.500000 0.500000 0.500000 W\n","nsites":10,"nelements":4,"elements":["Ba","Eu","O","W"],"chemical_system":"Ba-Eu-O-W","density":7.56773835173752,"density_atomic":0.06451086666706744,"volume":155.0126438636882,"volume_molar":9.335079609268806,"formula_full":"Ba2 Eu1 W1 O6","formula_reduced":"Ba2EuWO6","formula_anonymous":"ABC2D6","formation_energy":-3.066034677527253,"spacegroup":225},{"id":"oqmd-1710119","created_at":"2022-09-04T16:03:16.626076Z","updated_at":"2022-09-04T16:03:16.626096Z","structure_string":"B2 Mo2 O6\n1.0\n2.401317 1.386401 4.997506\n-2.401317 1.386401 4.997506\n0.000000 -2.772803 4.997506\nB Mo O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 B\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.462620 0.750000 0.037380 O\n0.962620 0.537380 0.250000 O\n0.750000 0.037380 0.462620 O\n0.250000 0.962620 0.537380 O\n0.037380 0.462620 0.750000 O\n0.537380 0.250000 0.962620 O\n","nsites":10,"nelements":3,"elements":["B","Mo","O"],"chemical_system":"B-Mo-O","density":5.148307376224571,"density_atomic":0.10017444906366205,"volume":99.82585473112891,"volume_molar":6.011653486781703,"formula_full":"B2 Mo2 O6","formula_reduced":"BMoO3","formula_anonymous":"ABC3","formation_energy":-2.094764164527253,"spacegroup":167}]}