{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-formation_energy&page=14","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-formation_energy&page=12","results":[{"id":"oqmd-517913","created_at":"2022-09-04T15:09:50.618669Z","updated_at":"2022-09-04T15:09:50.618692Z","structure_string":"Np2 Fe1 Sb1\n1.0\n0.000000 3.552911 3.552911\n3.552911 0.000000 3.552911\n3.552911 3.552911 0.000000\nFe Np Sb\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Fe\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Np\n0.750000 0.750000 0.750000 Sb\n","nsites":4,"nelements":3,"elements":["Fe","Np","Sb"],"chemical_system":"Fe-Np-Sb","density":12.062866573455572,"density_atomic":0.04459405959104221,"volume":89.69804580885246,"volume_molar":13.50435644394594,"formula_full":"Np2 Fe1 Sb1","formula_reduced":"Np2FeSb","formula_anonymous":"ABC2","formation_energy":13.074138299375,"spacegroup":225},{"id":"oqmd-1536338","created_at":"2022-09-04T15:55:31.748194Z","updated_at":"2022-09-04T15:55:31.748208Z","structure_string":"Rb2 Nd6 Sc2\n1.0\n2.510237 1.449286 5.261465\n-2.510237 1.449286 5.261465\n0.000000 -2.898572 5.261465\nNd Rb Sc\n6 2 2\ndirect\n0.750000 0.374290 0.125710 Nd\n0.625710 0.874290 0.250000 Nd\n0.125710 0.750000 0.374290 Nd\n0.874290 0.250000 0.625710 Nd\n0.374290 0.125710 0.750000 Nd\n0.250000 0.625710 0.874290 Nd\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n","nsites":10,"nelements":3,"elements":["Nd","Rb","Sc"],"chemical_system":"Nd-Rb-Sc","density":16.28456641461885,"density_atomic":0.08707094144646693,"volume":114.8488787863654,"volume_molar":6.916361141796704,"formula_full":"Rb2 Nd6 Sc2","formula_reduced":"RbNd3Sc","formula_anonymous":"ABC3","formation_energy":13.063498452,"spacegroup":167},{"id":"oqmd-301627","created_at":"2022-09-04T15:17:05.620985Z","updated_at":"2022-09-04T15:17:05.620997Z","structure_string":"Pa3 Ni1\n1.0\n-2.173325 2.173325 4.520322\n2.173325 -2.173325 4.520322\n2.173325 2.173325 -4.520322\nNi Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Pa\n0.750001 0.250000 0.500001 Pa\n0.250000 0.750001 0.500001 Pa\n","nsites":4,"nelements":2,"elements":["Ni","Pa"],"chemical_system":"Ni-Pa","density":14.617506794166697,"density_atomic":0.04683615947386773,"volume":85.40409898962366,"volume_molar":12.857887639912185,"formula_full":"Pa3 Ni1","formula_reduced":"Pa3Ni","formula_anonymous":"AB3","formation_energy":12.8897311575,"spacegroup":139},{"id":"oqmd-449027","created_at":"2022-09-04T15:00:56.136521Z","updated_at":"2022-09-04T15:00:56.136543Z","structure_string":"Ca1 Pa1 Mo2\n1.0\n0.000000 2.517342 2.517342\n2.517342 0.000000 2.517342\n2.517342 2.517342 0.000000\nCa Mo Pa\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.750001 0.750001 0.750001 Pa\n","nsites":4,"nelements":3,"elements":["Ca","Mo","Pa"],"chemical_system":"Ca-Mo-Pa","density":24.097261298357644,"density_atomic":0.1253728014887449,"volume":31.90484660549834,"volume_molar":4.80338692961298,"formula_full":"Ca1 Pa1 Mo2","formula_reduced":"CaPaMo2","formula_anonymous":"ABC2","formation_energy":12.7256333025,"spacegroup":225},{"id":"oqmd-462170","created_at":"2022-09-04T15:02:38.185368Z","updated_at":"2022-09-04T15:02:38.185379Z","structure_string":"La1 Pu2 Fe1\n1.0\n0.000000 3.349556 3.349556\n3.349556 0.000000 3.349556\n3.349556 3.349556 0.000000\nFe La Pu\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Fe\n0.749999 0.749999 0.749999 La\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500001 0.500001 Pu\n","nsites":4,"nelements":3,"elements":["Fe","La","Pu"],"chemical_system":"Fe-La-Pu","density":15.084099224972128,"density_atomic":0.05321919078399518,"volume":75.16085722225856,"volume_molar":11.31573154586759,"formula_full":"La1 Pu2 Fe1","formula_reduced":"LaPu2Fe","formula_anonymous":"ABC2","formation_energy":12.6763400975,"spacegroup":225},{"id":"oqmd-1539395","created_at":"2022-09-04T15:56:08.205522Z","updated_at":"2022-09-04T15:56:08.205543Z","structure_string":"K2 Ce2 Os2\n1.0\n2.046858 -5.410587 0.000000\n2.046858 5.410587 0.000000\n0.000000 0.000000 4.152031\nCe K Os\n2 2 2\ndirect\n0.497007 0.502993 0.349249 Ce\n0.502993 0.497007 0.849249 Ce\n0.344489 0.655511 0.254620 K\n0.655511 0.344489 0.754620 K\n0.834165 0.165835 0.077133 Os\n0.165835 0.834165 0.577133 Os\n","nsites":6,"nelements":3,"elements":["Ce","K","Os"],"chemical_system":"Ce-K-Os","density":13.34152213455763,"density_atomic":0.06524219559597515,"volume":91.96502271560809,"volume_molar":9.230438529833155,"formula_full":"K2 Ce2 Os2","formula_reduced":"KCeOs","formula_anonymous":"ABC","formation_energy":12.4838430925,"spacegroup":36},{"id":"oqmd-321001","created_at":"2022-09-04T15:16:56.239439Z","updated_at":"2022-09-04T15:16:56.239464Z","structure_string":"Pa6 Ni2\n1.0\n6.430616 -0.000000 0.000000\n-3.215309 5.569078 0.000000\n0.000000 0.000000 4.741544\nNi Pa\n2 6\ndirect\n0.666667 0.333333 0.250001 Ni\n0.333334 0.666667 0.750000 Ni\n0.178478 0.356957 0.250001 Pa\n0.178479 0.821522 0.250001 Pa\n0.643044 0.821522 0.250001 Pa\n0.356957 0.178478 0.750000 Pa\n0.821522 0.178478 0.750000 Pa\n0.821522 0.643044 0.750000 Pa\n","nsites":8,"nelements":2,"elements":["Ni","Pa"],"chemical_system":"Ni-Pa","density":14.7036905093352,"density_atomic":0.047112301929932356,"volume":169.80702857393763,"volume_molar":12.782522851369933,"formula_full":"Pa6 Ni2","formula_reduced":"Pa3Ni","formula_anonymous":"AB3","formation_energy":12.416757665,"spacegroup":194},{"id":"oqmd-385926","created_at":"2022-09-04T14:54:35.208904Z","updated_at":"2022-09-04T14:54:35.208926Z","structure_string":"Sr1 La2 Ni1\n1.0\n0.000000 3.864380 3.864380\n3.864380 0.000000 3.864380\n3.864380 3.864380 0.000000\nLa Ni Sr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Sr\n","nsites":4,"nelements":3,"elements":["La","Ni","Sr"],"chemical_system":"La-Ni-Sr","density":6.102008683586368,"density_atomic":0.03465696425156683,"volume":115.41691796675936,"volume_molar":17.376423152029947,"formula_full":"Sr1 La2 Ni1","formula_reduced":"SrLa2Ni","formula_anonymous":"ABC2","formation_energy":12.4121189275,"spacegroup":225},{"id":"oqmd-324049","created_at":"2022-09-04T14:50:59.237190Z","updated_at":"2022-09-04T14:50:59.237204Z","structure_string":"La6 Ni2\n1.0\n6.905265 0.000000 0.000000\n-3.452632 5.980134 0.000000\n0.000000 0.000000 5.258894\nLa Ni\n6 2\ndirect\n0.183218 0.366437 0.249999 La\n0.183218 0.816783 0.249999 La\n0.633564 0.816783 0.249999 La\n0.366436 0.183218 0.750000 La\n0.816782 0.183218 0.750000 La\n0.816782 0.633564 0.750000 La\n0.666668 0.333334 0.249999 Ni\n0.333334 0.666667 0.750000 Ni\n","nsites":8,"nelements":2,"elements":["La","Ni"],"chemical_system":"La-Ni","density":7.270454310817726,"density_atomic":0.03683870071088676,"volume":217.16292501151648,"volume_molar":16.34732127840846,"formula_full":"La6 Ni2","formula_reduced":"La3Ni","formula_anonymous":"AB3","formation_energy":12.33552756375,"spacegroup":194},{"id":"oqmd-537644","created_at":"2022-09-04T15:12:28.216847Z","updated_at":"2022-09-04T15:12:28.216867Z","structure_string":"Ba1 Nd2 Ni1\n1.0\n0.000000 3.831412 3.831412\n3.831412 0.000000 3.831412\n3.831412 3.831412 0.000000\nBa Nd Ni\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Ni\n","nsites":4,"nelements":3,"elements":["Ba","Nd","Ni"],"chemical_system":"Ba-Nd-Ni","density":7.152210071475471,"density_atomic":0.03555931860300924,"volume":112.48809474266743,"volume_molar":16.93547850911398,"formula_full":"Ba1 Nd2 Ni1","formula_reduced":"BaNd2Ni","formula_anonymous":"ABC2","formation_energy":12.3209609025,"spacegroup":225},{"id":"oqmd-1007469","created_at":"2022-09-04T15:36:58.704297Z","updated_at":"2022-09-04T15:36:58.704325Z","structure_string":"La2 Co2 Mo3\n1.0\n-6.804873 3.741725 3.741725\n-3.741725 3.741725 6.804873\n-3.741725 6.804873 3.741725\nCo La Mo\n2 2 3\ndirect\n0.021136 0.021136 0.021136 Co\n0.519626 0.519626 0.519626 Co\n0.192289 0.192289 0.192289 La\n0.760643 0.760643 0.760643 La\n0.332011 0.332011 0.332011 Mo\n0.626113 0.626113 0.626113 Mo\n0.923182 0.923182 0.923182 Mo\n","nsites":7,"nelements":3,"elements":["Co","La","Mo"],"chemical_system":"Co-La-Mo","density":8.46581354135981,"density_atomic":0.052213261122937935,"volume":134.0655582404297,"volume_molar":11.53373803988351,"formula_full":"La2 Co2 Mo3","formula_reduced":"La2Co2Mo3","formula_anonymous":"A2B2C3","formation_energy":12.2681998771429,"spacegroup":160},{"id":"oqmd-1520447","created_at":"2022-09-04T15:54:29.703617Z","updated_at":"2022-09-04T15:54:29.703645Z","structure_string":"Tl2 Cr2 F8\n1.0\n6.326049 -2.660633 0.000000\n6.326049 2.660633 0.000000\n-0.384767 0.000000 2.912645\nCr F Tl\n2 8 2\ndirect\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.467523 0.317284 0.257357 F\n0.317284 0.467523 0.257357 F\n0.912763 0.732987 0.441880 F\n0.732987 0.912763 0.441880 F\n0.267013 0.087237 0.558120 F\n0.087237 0.267013 0.558120 F\n0.682716 0.532477 0.742643 F\n0.532477 0.682716 0.742643 F\n0.712568 0.287432 0.000000 Tl\n0.287432 0.712568 0.000000 Tl\n","nsites":12,"nelements":3,"elements":["Cr","F","Tl"],"chemical_system":"Cr-F-Tl","density":11.258221043425568,"density_atomic":0.1223900664190133,"volume":98.04717287199543,"volume_molar":4.920448967960084,"formula_full":"Tl2 Cr2 F8","formula_reduced":"TlCrF4","formula_anonymous":"ABC4","formation_energy":12.245869018912597,"spacegroup":12}]}