{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-updated_at&page=40","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-updated_at&page=38","results":[{"id":"oqmd-1717345","created_at":"2022-09-04T16:03:16.480215Z","updated_at":"2022-09-04T16:03:16.480226Z","structure_string":"Nd2 V1 Te1 O6\n1.0\n0.000000 4.076507 4.076507\n4.076507 0.000000 4.076507\n4.076507 4.076507 0.000000\nNd O Te V\n2 6 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.744209 0.255791 0.255791 O\n0.255791 0.744209 0.255791 O\n0.744209 0.744209 0.255791 O\n0.255791 0.255791 0.744209 O\n0.744209 0.255791 0.744209 O\n0.255791 0.744209 0.744209 O\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 V\n","nsites":10,"nelements":4,"elements":["Nd","O","Te","V"],"chemical_system":"Nd-O-Te-V","density":6.9004881212529074,"density_atomic":0.07380833817166566,"volume":135.486047345243,"volume_molar":8.159160481290776,"formula_full":"Nd2 V1 Te1 O6","formula_reduced":"Nd2VTeO6","formula_anonymous":"ABC2D6","formation_energy":-2.262735341389046,"spacegroup":225},{"id":"oqmd-1723689","created_at":"2022-09-04T16:03:16.472353Z","updated_at":"2022-09-04T16:03:16.472378Z","structure_string":"Ti2 Cr1 H6\n1.0\n0.000000 3.087282 3.087282\n3.087282 0.000000 3.087282\n3.087282 3.087282 0.000000\nCr H Ti\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.729315 0.270685 0.270685 H\n0.270685 0.729315 0.270685 H\n0.729315 0.729315 0.270685 H\n0.270685 0.270685 0.729315 H\n0.729315 0.270685 0.729315 H\n0.270685 0.729315 0.729315 H\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n","nsites":9,"nelements":3,"elements":["Cr","H","Ti"],"chemical_system":"Cr-H-Ti","density":4.338940286428197,"density_atomic":0.1529268036246447,"volume":58.85168450973638,"volume_molar":3.9379236453416007,"formula_full":"Ti2 Cr1 H6","formula_reduced":"Ti2CrH6","formula_anonymous":"AB2C6","formation_energy":-0.2612663734086201,"spacegroup":225},{"id":"oqmd-1719780","created_at":"2022-09-04T16:03:16.467865Z","updated_at":"2022-09-04T16:03:16.467877Z","structure_string":"Pt2 Rh2 O6\n1.0\n2.621949 1.513783 4.917185\n-2.621949 1.513783 4.917185\n0.000000 -3.027566 4.917185\nO Pt Rh\n6 2 2\ndirect\n0.750000 0.381474 0.118526 O\n0.618526 0.881474 0.250000 O\n0.118526 0.750000 0.381474 O\n0.881474 0.250000 0.618526 O\n0.381474 0.118526 0.750000 O\n0.250000 0.618526 0.881474 O\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n","nsites":10,"nelements":3,"elements":["O","Pt","Rh"],"chemical_system":"O-Pt-Rh","density":9.812599888129126,"density_atomic":0.08539733893472957,"volume":117.09966756274625,"volume_molar":7.051906810120641,"formula_full":"Pt2 Rh2 O6","formula_reduced":"PtRhO3","formula_anonymous":"ABC3","formation_energy":-0.4092243515272528,"spacegroup":167},{"id":"oqmd-1756283","created_at":"2022-09-04T16:03:16.460609Z","updated_at":"2022-09-04T16:03:16.460637Z","structure_string":"Na1 P2 Ru1 O7\n1.0\n3.326923 -4.174221 0.000000\n3.326923 4.174221 0.000000\n-0.879073 0.000000 4.408836\nNa O P Ru\n1 7 2 1\ndirect\n0.247547 0.752453 0.500000 Na\n0.034739 0.965261 0.000000 O\n0.312268 0.414728 0.216654 O\n0.626950 0.025078 0.232556 O\n0.840276 0.642219 0.287832 O\n0.357781 0.159724 0.712168 O\n0.974922 0.373050 0.767444 O\n0.585272 0.687732 0.783346 O\n0.755341 0.828341 0.083247 P\n0.171659 0.244659 0.916753 P\n0.626468 0.373532 0.500000 Ru\n","nsites":11,"nelements":4,"elements":["Na","O","P","Ru"],"chemical_system":"Na-O-P-Ru","density":4.041082730601695,"density_atomic":0.08982982573686261,"volume":122.45376087249865,"volume_molar":6.703943496050612,"formula_full":"Na1 P2 Ru1 O7","formula_reduced":"NaP2RuO7","formula_anonymous":"ABC2D7","formation_energy":-2.125139267265709,"spacegroup":5},{"id":"oqmd-1725315","created_at":"2022-09-04T16:03:16.449933Z","updated_at":"2022-09-04T16:03:16.449951Z","structure_string":"K1 Rb2 Al1 Cl6\n1.0\n-3.670173 3.670173 5.403251\n3.670173 -3.670173 5.403251\n3.670173 3.670173 -5.403251\nAl Cl K Rb\n1 6 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.219103 0.219103 0.000000 Cl\n0.780897 0.780897 0.000000 Cl\n0.277480 0.844229 0.121709 Cl\n0.155771 0.277480 0.433250 Cl\n0.844229 0.722520 0.566750 Cl\n0.722520 0.155771 0.878291 Cl\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n","nsites":10,"nelements":4,"elements":["Al","Cl","K","Rb"],"chemical_system":"Al-Cl-K-Rb","density":2.565169521612588,"density_atomic":0.03434881779268992,"volume":291.13083484719493,"volume_molar":17.532308670261212,"formula_full":"K1 Rb2 Al1 Cl6","formula_reduced":"KRb2AlCl6","formula_anonymous":"ABC2D6","formation_energy":-2.027736446871474,"spacegroup":87},{"id":"oqmd-1716161","created_at":"2022-09-04T16:03:16.442928Z","updated_at":"2022-09-04T16:03:16.442957Z","structure_string":"Eu2 Pb2 O6\n1.0\n-2.880607 2.880607 4.252048\n2.880607 -2.880607 4.252048\n2.880607 2.880607 -4.252048\nEu O Pb\n2 6 2\ndirect\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 Eu\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.834035 0.334035 0.168070 O\n0.334035 0.165965 0.500000 O\n0.665965 0.834035 0.500000 O\n0.165965 0.665965 0.831930 O\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n","nsites":10,"nelements":3,"elements":["Eu","O","Pb"],"chemical_system":"Eu-O-Pb","density":9.581210289069755,"density_atomic":0.070855542375837,"volume":141.13222007330478,"volume_molar":8.49918095052739,"formula_full":"Eu2 Pb2 O6","formula_reduced":"EuPbO3","formula_anonymous":"ABC3","formation_energy":-2.089360461527252,"spacegroup":140},{"id":"oqmd-1713128","created_at":"2022-09-04T16:03:16.438956Z","updated_at":"2022-09-04T16:03:16.438981Z","structure_string":"Al2 In2 O6\n1.0\n-2.624949 2.624949 3.610735\n2.624949 -2.624949 3.610735\n2.624949 2.624949 -3.610735\nAl In O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.324788 0.824788 0.149576 O\n0.175212 0.324788 0.500000 O\n0.824788 0.675212 0.500000 O\n0.675212 0.175212 0.850424 O\n","nsites":10,"nelements":3,"elements":["Al","In","O"],"chemical_system":"Al-In-O","density":6.333923004703032,"density_atomic":0.10048532767530424,"volume":99.51701637788109,"volume_molar":5.993054806428253,"formula_full":"Al2 In2 O6","formula_reduced":"AlInO3","formula_anonymous":"ABC3","formation_energy":-2.352629064527253,"spacegroup":140},{"id":"oqmd-1717781","created_at":"2022-09-04T16:03:16.435349Z","updated_at":"2022-09-04T16:03:16.435373Z","structure_string":"Re1 Sn1 Ge2 O6\n1.0\n0.000000 3.983280 3.983280\n3.983280 0.000000 3.983280\n3.983280 3.983280 0.000000\nGe O Re Sn\n2 6 1 1\ndirect\n0.250000 0.250000 0.250000 Ge\n0.750000 0.750000 0.750000 Ge\n0.753775 0.246225 0.246225 O\n0.246225 0.753775 0.246225 O\n0.753775 0.753775 0.246225 O\n0.753775 0.246225 0.753775 O\n0.246225 0.246225 0.753775 O\n0.246225 0.753775 0.753775 O\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Sn\n","nsites":10,"nelements":4,"elements":["Ge","O","Re","Sn"],"chemical_system":"Ge-O-Re-Sn","density":7.175349218242268,"density_atomic":0.07911293510566714,"volume":126.40158005316712,"volume_molar":7.612081073665807,"formula_full":"Re1 Sn1 Ge2 O6","formula_reduced":"ReSn(GeO3)2","formula_anonymous":"ABC2D6","formation_energy":-1.1252810547123722,"spacegroup":225},{"id":"oqmd-1737928","created_at":"2022-09-04T16:03:16.430238Z","updated_at":"2022-09-04T16:03:16.430251Z","structure_string":"Tm2 Mo2 O8\n1.0\n-2.568734 2.568734 5.436581\n2.568734 -2.568734 5.436581\n2.568734 2.568734 -5.436581\nMo O Tm\n2 8 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.750000 0.250000 0.500000 Mo\n0.485529 0.905155 0.063373 O\n0.172156 0.735529 0.080375 O\n0.577844 0.514471 0.419625 O\n0.264471 0.344845 0.436627 O\n0.908219 0.827844 0.563373 O\n0.094845 0.158219 0.580375 O\n0.655155 0.091781 0.919625 O\n0.841781 0.422156 0.936627 O\n0.500000 0.500000 0.000000 Tm\n0.250000 0.750000 0.500000 Tm\n","nsites":12,"nelements":3,"elements":["Mo","O","Tm"],"chemical_system":"Mo-O-Tm","density":7.611699228814001,"density_atomic":0.08362904232115655,"volume":143.4908216922655,"volume_molar":7.201016049990703,"formula_full":"Tm2 Mo2 O8","formula_reduced":"TmMoO4","formula_anonymous":"ABC4","formation_energy":-2.913248328919169,"spacegroup":88},{"id":"oqmd-1739326","created_at":"2022-09-04T16:03:16.428201Z","updated_at":"2022-09-04T16:03:16.428220Z","structure_string":"Sc2 Sb2 O8\n1.0\n-3.405564 3.405564 3.334309\n3.405564 -3.405564 3.334309\n3.405564 3.405564 -3.334309\nO Sb Sc\n8 2 2\ndirect\n0.493854 0.298958 0.194896 O\n0.701042 0.895938 0.194896 O\n0.048958 0.354062 0.305104 O\n0.256146 0.951042 0.305104 O\n0.048958 0.743854 0.694896 O\n0.645938 0.951042 0.694896 O\n0.104062 0.298958 0.805104 O\n0.701042 0.506146 0.805104 O\n0.500000 0.500000 0.000000 Sb\n0.250000 0.750000 0.500000 Sb\n0.000000 0.000000 0.000000 Sc\n0.750000 0.250000 0.500000 Sc\n","nsites":12,"nelements":3,"elements":["O","Sb","Sc"],"chemical_system":"O-Sb-Sc","density":4.953454689611143,"density_atomic":0.07757777463704639,"volume":154.68347804693968,"volume_molar":7.762713983708672,"formula_full":"Sc2 Sb2 O8","formula_reduced":"ScSbO4","formula_anonymous":"ABC4","formation_energy":-2.357155571419169,"spacegroup":141},{"id":"oqmd-1715006","created_at":"2022-09-04T16:03:16.427198Z","updated_at":"2022-09-04T16:03:16.427222Z","structure_string":"V1 Pb2 W1 O6\n1.0\n2.860026 1.651237 4.585394\n-2.860026 1.651237 4.585394\n0.000000 -3.302473 4.585394\nO Pb V W\n6 2 1 1\ndirect\n0.735500 0.309930 0.211548 O\n0.690070 0.788452 0.264500 O\n0.211548 0.735500 0.309930 O\n0.788452 0.264500 0.690070 O\n0.309930 0.211548 0.735500 O\n0.264500 0.690070 0.788452 O\n0.250817 0.250817 0.250817 Pb\n0.749183 0.749183 0.749183 Pb\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 W\n","nsites":10,"nelements":4,"elements":["O","Pb","V","W"],"chemical_system":"O-Pb-V-W","density":9.523615431498508,"density_atomic":0.07696491360306305,"volume":129.92933444418262,"volume_molar":7.82452740875984,"formula_full":"V1 Pb2 W1 O6","formula_reduced":"VPb2WO6","formula_anonymous":"ABC2D6","formation_energy":-2.058249064055713,"spacegroup":148},{"id":"oqmd-1712729","created_at":"2022-09-04T16:03:16.426687Z","updated_at":"2022-09-04T16:03:16.426699Z","structure_string":"Yb2 Pr2 O6\n1.0\n3.006688 1.735912 4.570260\n-3.006688 1.735912 4.570260\n0.000000 -3.471825 4.570260\nO Pr Yb\n6 2 2\ndirect\n0.750000 0.366521 0.133479 O\n0.633479 0.866521 0.250000 O\n0.133479 0.750000 0.366521 O\n0.866521 0.250000 0.633479 O\n0.366521 0.133479 0.750000 O\n0.250000 0.633479 0.866521 O\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n","nsites":10,"nelements":3,"elements":["O","Pr","Yb"],"chemical_system":"O-Pr-Yb","density":8.398744768639407,"density_atomic":0.06987015215333865,"volume":143.1226309347913,"volume_molar":8.619046294308434,"formula_full":"Yb2 Pr2 O6","formula_reduced":"YbPrO3","formula_anonymous":"ABC3","formation_energy":-2.946794924027253,"spacegroup":167}]}