{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=28","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=26","results":[{"id":"mp-864782","created_at":"2022-09-04T14:43:57.267427Z","structure_string":"Ta2 Mo1 Ru1\n1.0\n0.000000 3.201996 3.201996\n3.201996 0.000000 3.201996\n3.201996 3.201996 0.000000\nTa Mo Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Ta","Mo","Ru"],"chemical_system":"Mo-Ru-Ta","density":14.134984352274047,"density_atomic":0.06092108654540141,"volume":65.65871074901138,"volume_molar":9.885149956266789,"formula_full":"Ta2 Mo1 Ru1","formula_reduced":"Ta2MoRu","formula_anonymous":"ABC2","energy":-45.31922898,"energy_per_atom":-11.329807245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.31922898,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011266,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.123000Z","spacegroup":225},{"id":"mp-1186923","created_at":"2022-09-04T14:40:16.370217Z","structure_string":"Re6 Rh2\n1.0\n2.788722 -4.830208 0.000000\n2.788722 4.830208 0.000000\n0.000000 0.000000 4.395253\nRe Rh\n6 2\ndirect\n0.160601 0.321201 0.250000 Re\n0.678799 0.839399 0.250000 Re\n0.160601 0.839399 0.250000 Re\n0.839399 0.678799 0.750000 Re\n0.321201 0.160601 0.750000 Re\n0.839399 0.160601 0.750000 Re\n0.333333 0.666667 0.750000 Rh\n0.666667 0.333333 0.250000 Rh\n","nsites":8,"nelements":2,"elements":["Re","Rh"],"chemical_system":"Re-Rh","density":18.55416476710658,"density_atomic":0.06756239815055752,"volume":118.40905916590802,"volume_molar":8.913450269453328,"formula_full":"Re6 Rh2","formula_reduced":"Re3Rh","formula_anonymous":"AB3","energy":-90.60493463,"energy_per_atom":-11.32561682875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.60493463,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027327,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.374000Z","spacegroup":194},{"id":"mp-1186759","created_at":"2022-09-04T14:42:51.086228Z","structure_string":"Ta2 Os1 Ru1\n1.0\n0.000000 3.186234 3.186234\n3.186234 0.000000 3.186234\n3.186234 3.186234 0.000000\nTa Os Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Ta","Os","Ru"],"chemical_system":"Os-Ru-Ta","density":16.765999771837667,"density_atomic":0.06182967914122799,"volume":64.69385019552531,"volume_molar":9.739886804595175,"formula_full":"Ta2 Os1 Ru1","formula_reduced":"Ta2OsRu","formula_anonymous":"ABC2","energy":-45.30166748,"energy_per_atom":-11.32541687,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.30166748,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010596,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.998000Z","spacegroup":225},{"id":"mp-1204194","created_at":"2022-09-04T14:42:47.437259Z","structure_string":"Gd12 Mo4 O28\n1.0\n7.570731 0.000000 0.000000\n0.000000 7.579282 0.000000\n0.000000 0.000000 10.660931\nGd Mo O\n12 4 28\ndirect\n0.027992 0.508708 0.742810 Gd\n0.472008 0.491292 0.242810 Gd\n0.527992 0.991292 0.257190 Gd\n0.972008 0.008708 0.757190 Gd\n0.276502 0.254419 0.967057 Gd\n0.223498 0.745581 0.467057 Gd\n0.776502 0.245581 0.032943 Gd\n0.723498 0.754419 0.532943 Gd\n0.300545 0.246123 0.513966 Gd\n0.199455 0.753877 0.013966 Gd\n0.800545 0.253877 0.486034 Gd\n0.699455 0.746123 0.986034 Gd\n0.502773 0.500234 0.750680 Mo\n0.997227 0.499766 0.250680 Mo\n0.002773 0.999766 0.249320 Mo\n0.497227 0.000234 0.749320 Mo\n0.410576 0.247697 0.742274 O\n0.089424 0.752303 0.242274 O\n0.910576 0.252303 0.257726 O\n0.589424 0.747697 0.757726 O\n0.220511 0.463989 0.367747 O\n0.279489 0.536011 0.867747 O\n0.720511 0.036011 0.632253 O\n0.779489 0.963989 0.132253 O\n0.872496 0.549896 0.400327 O\n0.627504 0.450104 0.900327 O\n0.372496 0.950104 0.599673 O\n0.127504 0.049896 0.099673 O\n0.169957 0.464062 0.116107 O\n0.330043 0.535938 0.616107 O\n0.669957 0.035938 0.883893 O\n0.830043 0.964062 0.383893 O\n0.788067 0.529192 0.133798 O\n0.711933 0.470808 0.633798 O\n0.288067 0.970808 0.866202 O\n0.211933 0.029192 0.366202 O\n0.040355 0.246477 0.614531 O\n0.459645 0.753523 0.114531 O\n0.540355 0.253523 0.385469 O\n0.959645 0.746477 0.885469 O\n0.994731 0.262796 0.880955 O\n0.505269 0.737204 0.380955 O\n0.494731 0.237204 0.119045 O\n0.005269 0.762796 0.619045 O\n","nsites":44,"nelements":3,"elements":["Gd","Mo","O"],"chemical_system":"Gd-Mo-O","density":7.379998468586046,"density_atomic":0.07192695295671193,"volume":611.7317388167504,"volume_molar":8.372578723895515,"formula_full":"Gd12 Mo4 O28","formula_reduced":"Gd3MoO7","formula_anonymous":"AB3C7","energy":-498.03170241,"energy_per_atom":-11.3189023275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-465.98770241,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":88.0000005,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.037000Z","spacegroup":19},{"id":"mp-1217988","created_at":"2022-09-04T14:47:08.384102Z","structure_string":"Ta3 Ru1\n1.0\n1.669090 -2.342311 0.000000\n1.669090 2.342311 0.000000\n0.000000 0.000000 8.814198\nTa Ru\n3 1\ndirect\n0.500000 0.500000 0.763884 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.236116 Ta\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":2,"elements":["Ta","Ru"],"chemical_system":"Ru-Ta","density":15.514565288761728,"density_atomic":0.05803939548876206,"volume":68.91870541233504,"volume_molar":10.375953624751386,"formula_full":"Ta3 Ru1","formula_reduced":"Ta3Ru","formula_anonymous":"AB3","energy":-45.26541923,"energy_per_atom":-11.3163548075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.26541923,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.090839,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.105000Z","spacegroup":65},{"id":"mp-4875","created_at":"2022-09-04T14:39:47.547070Z","structure_string":"Gd2 Ta2 O8\n1.0\n5.582900 0.000000 0.000000\n0.000000 5.206502 0.000000\n0.000000 0.633773 5.357406\nGd Ta O\n2 2 8\ndirect\n0.767378 0.000000 0.750000 Gd\n0.232622 0.000000 0.250000 Gd\n0.689312 0.500000 0.250000 Ta\n0.310688 0.500000 0.750000 Ta\n0.564703 0.272035 0.004350 O\n0.564703 0.727965 0.495650 O\n0.435297 0.727965 0.995650 O\n0.435297 0.272035 0.504350 O\n0.089942 0.748041 0.604977 O\n0.089942 0.251959 0.895023 O\n0.910058 0.251959 0.395023 O\n0.910058 0.748041 0.104977 O\n","nsites":12,"nelements":3,"elements":["Gd","Ta","O"],"chemical_system":"Gd-O-Ta","density":8.577403297590578,"density_atomic":0.07705854381739337,"volume":155.72575610092704,"volume_molar":7.815020193310095,"formula_full":"Gd2 Ta2 O8","formula_reduced":"GdTaO4","formula_anonymous":"ABC4","energy":-135.78582826000002,"energy_per_atom":-11.315485688333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.28982826,"band_gap":3.3217000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.999954,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.350000Z","spacegroup":13},{"id":"mp-1201615","created_at":"2022-09-04T14:47:19.948733Z","structure_string":"Gd16 B4 Cl4 O28\n1.0\n0.000000 -8.190835 0.000000\n-8.613718 0.000000 1.830093\n0.029219 0.000000 -10.990142\nGd B Cl O\n16 4 4 28\ndirect\n0.372172 0.979995 0.780277 Gd\n0.127828 0.479995 0.280277 Gd\n0.627828 0.020005 0.219723 Gd\n0.872172 0.520005 0.719723 Gd\n0.382209 0.668686 0.087009 Gd\n0.117791 0.168686 0.587009 Gd\n0.617791 0.331314 0.912991 Gd\n0.882209 0.831314 0.412991 Gd\n0.364310 0.845595 0.420271 Gd\n0.135690 0.345595 0.920271 Gd\n0.635690 0.154405 0.579729 Gd\n0.864310 0.654405 0.079729 Gd\n0.384306 0.537114 0.720189 Gd\n0.115694 0.037114 0.220189 Gd\n0.615694 0.462886 0.279811 Gd\n0.884306 0.962886 0.779811 Gd\n0.127858 0.717297 0.585980 B\n0.372142 0.217297 0.085980 B\n0.872142 0.282703 0.414020 B\n0.627858 0.782703 0.914020 B\n0.138553 0.849387 0.967310 Cl\n0.361447 0.349387 0.467310 Cl\n0.861447 0.150613 0.032690 Cl\n0.638553 0.650613 0.532690 Cl\n0.377345 0.055035 0.595872 O\n0.122655 0.555035 0.095872 O\n0.622655 0.944965 0.404128 O\n0.877345 0.444965 0.904128 O\n0.364401 0.917059 0.224179 O\n0.135599 0.417059 0.724179 O\n0.635599 0.082941 0.775821 O\n0.864401 0.582941 0.275821 O\n0.383523 0.603407 0.279734 O\n0.116477 0.103407 0.779734 O\n0.616477 0.396593 0.720266 O\n0.883523 0.896593 0.220266 O\n0.375925 0.473798 0.907608 O\n0.124075 0.973798 0.407608 O\n0.624075 0.526202 0.092392 O\n0.875925 0.026202 0.592392 O\n0.112126 0.677476 0.457757 O\n0.387874 0.177476 0.957757 O\n0.887874 0.322524 0.542243 O\n0.612126 0.822524 0.042243 O\n0.990816 0.733530 0.660271 O\n0.509184 0.233530 0.160271 O\n0.009184 0.266470 0.339729 O\n0.490816 0.766470 0.839729 O\n0.282293 0.747972 0.635364 O\n0.217707 0.247972 0.135364 O\n0.717707 0.252028 0.364636 O\n0.782293 0.752028 0.864636 O\n","nsites":52,"nelements":4,"elements":["Gd","B","Cl","O"],"chemical_system":"B-Cl-Gd-O","density":6.747616951372782,"density_atomic":0.06710063033410707,"volume":774.9554622822751,"volume_molar":8.974790147297561,"formula_full":"Gd16 B4 Cl4 O28","formula_reduced":"Gd4BClO7","formula_anonymous":"ABC4D7","energy":-588.27011797,"energy_per_atom":-11.31288688403846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-566.57811797,"band_gap":2.9755,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":112.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:38:06.131000Z","spacegroup":14},{"id":"mp-5575","created_at":"2022-09-04T14:41:50.717336Z","structure_string":"Gd2 Ta2 O8\n1.0\n5.604326 3.553150 0.000000\n-5.604326 3.553150 0.000000\n0.000000 3.320851 3.908929\nGd Ta O\n2 2 8\ndirect\n0.631791 0.368209 0.750000 Gd\n0.368209 0.631791 0.250000 Gd\n0.100271 0.899729 0.750000 Ta\n0.899729 0.100271 0.250000 Ta\n0.790986 0.727576 0.208126 O\n0.272424 0.209014 0.291874 O\n0.209014 0.272424 0.791874 O\n0.727576 0.790986 0.708126 O\n0.362299 0.946715 0.840417 O\n0.053285 0.637701 0.659583 O\n0.637701 0.053285 0.159583 O\n0.946715 0.362299 0.340417 O\n","nsites":12,"nelements":3,"elements":["Gd","Ta","O"],"chemical_system":"Gd-O-Ta","density":8.58008457529823,"density_atomic":0.07708263215142094,"volume":155.6770917789526,"volume_molar":7.812577998335761,"formula_full":"Gd2 Ta2 O8","formula_reduced":"GdTaO4","formula_anonymous":"ABC4","energy":-135.71643967,"energy_per_atom":-11.309703305833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.22043967,"band_gap":0.2627000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.678000Z","spacegroup":15},{"id":"mp-864761","created_at":"2022-09-04T14:42:51.906693Z","structure_string":"Ta2 Mn1 Os1\n1.0\n0.000000 3.139209 3.139209\n3.139209 0.000000 3.139209\n3.139209 3.139209 0.000000\nTa Mn Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Os\n","nsites":4,"nelements":3,"elements":["Ta","Mn","Os"],"chemical_system":"Mn-Os-Ta","density":16.292688302768067,"density_atomic":0.06465011522271989,"volume":61.871506125240224,"volume_molar":9.314972972984972,"formula_full":"Ta2 Mn1 Os1","formula_reduced":"Ta2MnOs","formula_anonymous":"ABC2","energy":-45.22455134,"energy_per_atom":-11.306137835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.22455134,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5102988,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.539000Z","spacegroup":225},{"id":"mp-1188068","created_at":"2022-09-04T14:40:13.871793Z","structure_string":"Zr1 Np3\n1.0\n-2.166668 2.166668 4.669243\n2.166668 -2.166668 4.669243\n2.166668 2.166668 -4.669243\nZr Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.250000 0.500000 Np\n0.250000 0.750000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n","nsites":4,"nelements":2,"elements":["Zr","Np"],"chemical_system":"Np-Zr","density":15.193349979721157,"density_atomic":0.045621418569099494,"volume":87.67811535587143,"volume_molar":13.20024880611438,"formula_full":"Zr1 Np3","formula_reduced":"ZrNp3","formula_anonymous":"AB3","energy":-45.22192081,"energy_per_atom":-11.3054802025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.22192081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.6255661,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.692000Z","spacegroup":139},{"id":"mp-1865","created_at":"2022-09-04T14:44:20.596227Z","structure_string":"U1 N1\n1.0\n0.000000 2.436359 2.436359\n2.436359 0.000000 2.436359\n2.436359 2.436359 0.000000\nU N\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["U","N"],"chemical_system":"N-U","density":14.469621169098867,"density_atomic":0.06914744742165775,"volume":28.92369963860123,"volume_molar":8.709129526180886,"formula_full":"U1 N1","formula_reduced":"UN","formula_anonymous":"AB","energy":-22.60801748,"energy_per_atom":-11.30400874,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.24701748,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1262682,"is_theoretical":false,"updated_at":"2021-11-28T01:36:29.536000Z","spacegroup":225},{"id":"mp-11428","created_at":"2022-09-04T14:42:12.269295Z","structure_string":"Gd4 Pt4\n1.0\n4.519250 0.000000 0.000000\n0.000000 5.652379 0.000000\n0.000000 0.000000 7.203600\nGd Pt\n4 4\ndirect\n0.250000 0.141564 0.182329 Gd\n0.750000 0.858436 0.817671 Gd\n0.750000 0.641564 0.317671 Gd\n0.250000 0.358436 0.682329 Gd\n0.250000 0.655692 0.043983 Pt\n0.750000 0.344308 0.956017 Pt\n0.750000 0.155692 0.456017 Pt\n0.250000 0.844308 0.543983 Pt\n","nsites":8,"nelements":2,"elements":["Gd","Pt"],"chemical_system":"Gd-Pt","density":12.717929488683552,"density_atomic":0.043475316933974446,"volume":184.0124595790647,"volume_molar":13.851861664736726,"formula_full":"Gd4 Pt4","formula_reduced":"GdPt","formula_anonymous":"AB","energy":-90.42525528,"energy_per_atom":-11.30315691,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.42525528,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.49001,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.277000Z","spacegroup":62}]}