{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=12123","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=12121","results":[{"id":"mp-1228026","created_at":"2022-09-04T14:39:07.617994Z","structure_string":"Cs4 Re8 Os4 Se16 Cl12\n1.0\n9.116202 5.257185 0.000000\n-9.116202 5.257185 0.000000\n0.000000 0.110255 15.573432\nCs Re Os Se Cl\n4 8 4 16 12\ndirect\n0.999235 0.999363 0.499983 Cs\n0.999363 0.999235 0.999983 Cs\n0.334347 0.667362 0.249992 Cs\n0.667362 0.334347 0.749992 Cs\n0.665454 0.476915 0.318670 Re\n0.521726 0.188107 0.319404 Re\n0.476915 0.665454 0.818670 Re\n0.188107 0.521726 0.819404 Re\n0.188897 0.666324 0.681325 Re\n0.477801 0.811816 0.680681 Re\n0.666324 0.188897 0.181325 Re\n0.811816 0.477801 0.180681 Re\n0.812863 0.333610 0.320199 Os\n0.333610 0.812863 0.820199 Os\n0.334039 0.520756 0.679722 Os\n0.520756 0.334039 0.179722 Os\n0.667599 0.332482 0.449121 Se\n0.332482 0.667599 0.949121 Se\n0.334274 0.665729 0.550887 Se\n0.665729 0.334274 0.050887 Se\n0.943795 0.609252 0.317687 Se\n0.386716 0.331292 0.315172 Se\n0.670207 0.058221 0.318851 Se\n0.331292 0.386716 0.815172 Se\n0.609252 0.943795 0.817687 Se\n0.058221 0.670207 0.818851 Se\n0.058592 0.387608 0.682463 Se\n0.609716 0.665645 0.681142 Se\n0.332352 0.944708 0.684680 Se\n0.665645 0.609716 0.181142 Se\n0.387608 0.058592 0.182463 Se\n0.944708 0.332352 0.184680 Se\n0.004738 0.338395 0.406672 Cl\n0.661738 0.664440 0.405111 Cl\n0.334517 0.995389 0.407278 Cl\n0.664440 0.661738 0.905111 Cl\n0.338395 0.004738 0.906672 Cl\n0.995389 0.334517 0.907278 Cl\n0.997361 0.661905 0.594786 Cl\n0.339707 0.334742 0.592445 Cl\n0.666526 0.004373 0.593733 Cl\n0.334742 0.339707 0.092445 Cl\n0.661905 0.997361 0.094786 Cl\n0.004373 0.666526 0.093733 Cl\n","nsites":44,"nelements":5,"elements":["Cs","Re","Os","Se","Cl"],"chemical_system":"Cl-Cs-Os-Re-Se","density":4.973608989461077,"density_atomic":0.02947617660940669,"volume":1492.7309122567253,"volume_molar":20.430535614575476,"formula_full":"Cs4 Re8 Os4 Se16 Cl12","formula_reduced":"CsRe2OsSe4Cl3","formula_anonymous":"ABC2D3E4","energy":-275.98291254000003,"energy_per_atom":-6.272338921363637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-261.06291254,"band_gap":2.1060000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0668236,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.079000Z","spacegroup":9},{"id":"mp-1190998","created_at":"2022-09-04T14:39:07.616823Z","structure_string":"Pr8 P8 S8\n1.0\n5.542230 0.000000 0.000000\n0.000000 5.624888 0.000000\n0.000000 0.000000 17.347868\nPr P S\n8 8 8\ndirect\n0.250000 0.483873 0.362480 Pr\n0.250000 0.983873 0.137520 Pr\n0.750000 0.516127 0.637520 Pr\n0.750000 0.016127 0.862480 Pr\n0.250000 0.016242 0.647256 Pr\n0.250000 0.516242 0.852744 Pr\n0.750000 0.983758 0.352744 Pr\n0.750000 0.483758 0.147256 Pr\n0.044192 0.305665 0.997443 P\n0.455808 0.805665 0.502557 P\n0.544192 0.694335 0.002557 P\n0.955808 0.194335 0.497443 P\n0.955808 0.694335 0.002557 P\n0.544192 0.194335 0.497443 P\n0.455808 0.305665 0.997443 P\n0.044192 0.805665 0.502557 P\n0.250000 0.484933 0.189106 S\n0.250000 0.984933 0.310894 S\n0.750000 0.515067 0.810894 S\n0.750000 0.015067 0.689106 S\n0.250000 0.012514 0.817299 S\n0.250000 0.512514 0.682701 S\n0.750000 0.987486 0.182701 S\n0.750000 0.487486 0.317299 S\n","nsites":24,"nelements":3,"elements":["Pr","P","S"],"chemical_system":"P-Pr-S","density":5.00968732358734,"density_atomic":0.044377896047501544,"volume":540.8097755312848,"volume_molar":13.57013580263917,"formula_full":"Pr8 P8 S8","formula_reduced":"PrPS","formula_anonymous":"ABC","energy":-155.79253269,"energy_per_atom":-6.49135552875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.76853269,"band_gap":0.2892000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035472,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.708000Z","spacegroup":62},{"id":"mp-1216530","created_at":"2022-09-04T14:39:07.615734Z","structure_string":"Tl1 Pb1\n1.0\n5.880337 -1.780324 0.000000\n5.880337 1.780324 0.000000\n5.341328 0.000000 3.036138\nTl Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pb\n","nsites":2,"nelements":2,"elements":["Tl","Pb"],"chemical_system":"Pb-Tl","density":10.751129096830251,"density_atomic":0.03146134100796503,"volume":63.57008111935415,"volume_molar":19.141398831268454,"formula_full":"Tl1 Pb1","formula_reduced":"TlPb","formula_anonymous":"AB","energy":-6.08289193,"energy_per_atom":-3.041445965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.08289193,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032192,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.826000Z","spacegroup":166},{"id":"mp-1097447","created_at":"2022-09-04T14:39:07.614634Z","structure_string":"Li1 Be2 Rh1\n1.0\n-7.848453 0.000000 -4.531307\n-7.974080 -0.011112 4.748899\n-5.268939 7.640180 0.063457\nLi Be Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.722149 0.000000 0.000000 Be\n0.277851 0.000000 0.000000 Be\n0.500000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Li","Be","Rh"],"chemical_system":"Be-Li-Rh","density":0.37842921051042777,"density_atomic":0.007128923361859901,"volume":561.0945435884753,"volume_molar":84.47475802894382,"formula_full":"Li1 Be2 Rh1","formula_reduced":"LiBe2Rh","formula_anonymous":"ABC2","energy":-8.54204245,"energy_per_atom":-2.1355106125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.54204245,"band_gap":0.3769999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008978,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.110000Z","spacegroup":71},{"id":"mp-937920","created_at":"2022-09-04T14:39:07.611282Z","structure_string":"In4 Sb1 Te3\n1.0\n6.233387 4.419059 0.000000\n-6.233387 4.419059 0.000000\n0.000000 4.375959 4.418769\nIn Sb Te\n4 1 3\ndirect\n0.004085 0.004085 0.998571 In\n0.496178 0.496178 0.008249 In\n0.249130 0.753339 0.502642 In\n0.753339 0.249130 0.502642 In\n0.999182 0.999182 0.503508 Sb\n0.751513 0.254783 0.994086 Te\n0.254783 0.751513 0.994086 Te\n0.504944 0.504944 0.498525 Te\n","nsites":8,"nelements":3,"elements":["In","Sb","Te"],"chemical_system":"In-Sb-Te","density":6.574538206093196,"density_atomic":0.032862818020379936,"volume":243.43621399232367,"volume_molar":18.325089334290684,"formula_full":"In4 Sb1 Te3","formula_reduced":"In4SbTe3","formula_anonymous":"AB3C4","energy":-27.84068225,"energy_per_atom":-3.48008528125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.38268225,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033451,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.306000Z","spacegroup":139},{"id":"mp-1195839","created_at":"2022-09-04T14:39:07.606050Z","structure_string":"H24 C8 Se2 N4 O4\n1.0\n4.903526 4.519414 0.000000\n-4.903526 4.519414 0.000000\n0.000000 4.175425 10.555018\nH C Se N O\n24 8 2 4 4\ndirect\n0.545149 0.853712 0.222539 H\n0.146288 0.454851 0.277461 H\n0.454851 0.146288 0.777461 H\n0.853712 0.545149 0.722539 H\n0.463713 0.811227 0.391620 H\n0.188773 0.536287 0.108380 H\n0.536287 0.188773 0.608380 H\n0.811227 0.463713 0.891620 H\n0.574078 0.613645 0.325483 H\n0.386355 0.425922 0.174517 H\n0.425922 0.386355 0.674517 H\n0.613645 0.574078 0.825483 H\n0.008460 0.855018 0.416011 H\n0.144982 0.991540 0.083989 H\n0.991540 0.144982 0.583989 H\n0.855018 0.008460 0.916011 H\n0.844097 0.615130 0.438489 H\n0.384870 0.155903 0.061511 H\n0.155903 0.384870 0.561511 H\n0.615130 0.844097 0.938489 H\n0.737801 0.813609 0.505325 H\n0.186391 0.262199 0.994675 H\n0.262199 0.186391 0.494675 H\n0.813609 0.737801 0.005325 H\n0.580617 0.782987 0.311767 C\n0.217013 0.419383 0.188233 C\n0.419383 0.217013 0.688233 C\n0.782987 0.580617 0.811767 C\n0.849638 0.784952 0.423609 C\n0.215048 0.150362 0.076391 C\n0.150362 0.215048 0.576391 C\n0.784952 0.849638 0.923609 C\n0.841893 0.158107 0.250000 Se\n0.158107 0.841893 0.750000 Se\n0.797087 0.865481 0.303659 N\n0.134519 0.202913 0.196341 N\n0.202913 0.134519 0.696341 N\n0.865481 0.797087 0.803659 N\n0.735553 0.224249 0.132183 O\n0.775751 0.264447 0.367817 O\n0.264447 0.775751 0.867817 O\n0.224249 0.735553 0.632183 O\n","nsites":42,"nelements":5,"elements":["H","C","Se","N","O"],"chemical_system":"C-H-N-O-Se","density":1.4134914741534188,"density_atomic":0.08977795475473305,"volume":467.820859973264,"volume_molar":6.707816831483919,"formula_full":"H24 C8 Se2 N4 O4","formula_reduced":"H12C4Se(NO)2","formula_anonymous":"AB2C2D4E12","energy":-224.97087051,"energy_per_atom":-5.356449297857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-220.77887051,"band_gap":3.4793,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0054747,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.555000Z","spacegroup":15},{"id":"mp-640054","created_at":"2022-09-04T14:39:07.601121Z","structure_string":"Nd6 In22 Pt13\n1.0\n2.251490 14.342920 0.000000\n-2.251490 14.342920 0.000000\n0.000000 5.768927 13.999434\nNd In Pt\n6 22 13\ndirect\n0.453612 0.453612 0.698809 Nd\n0.837221 0.837221 0.530042 Nd\n0.546388 0.546388 0.301191 Nd\n0.162779 0.162779 0.469958 Nd\n0.821756 0.821756 0.080065 Nd\n0.178244 0.178244 0.919935 Nd\n0.326059 0.326059 0.719690 In\n0.875913 0.875913 0.831063 In\n0.673941 0.673941 0.280310 In\n0.435342 0.435342 0.502404 In\n0.857404 0.857404 0.281919 In\n0.727973 0.727973 0.751724 In\n0.237413 0.237413 0.083813 In\n0.408283 0.408283 0.952524 In\n0.055522 0.055522 0.936244 In\n0.956907 0.956907 0.339734 In\n0.762587 0.762587 0.916187 In\n0.712801 0.712801 0.565298 In\n0.564658 0.564658 0.497596 In\n0.287199 0.287199 0.434702 In\n0.272027 0.272027 0.248276 In\n0.944478 0.944478 0.063756 In\n0.591717 0.591717 0.047476 In\n0.529487 0.529487 0.820980 In\n0.124087 0.124087 0.168937 In\n0.470513 0.470513 0.179020 In\n0.142596 0.142596 0.718081 In\n0.043093 0.043093 0.660266 In\n0.619300 0.619300 0.848514 Pt\n0.901098 0.901098 0.635713 Pt\n0.032793 0.032793 0.139149 Pt\n0.392714 0.392714 0.362952 Pt\n0.098902 0.098902 0.364287 Pt\n0.251659 0.251659 0.636158 Pt\n0.000000 0.000000 0.500000 Pt\n0.320549 0.320549 0.912073 Pt\n0.679451 0.679451 0.087927 Pt\n0.380700 0.380700 0.151486 Pt\n0.967207 0.967207 0.860851 Pt\n0.748341 0.748341 0.363842 Pt\n0.607286 0.607286 0.637048 Pt\n","nsites":41,"nelements":3,"elements":["Nd","In","Pt"],"chemical_system":"In-Nd-Pt","density":10.886180207950371,"density_atomic":0.045345666035488674,"volume":904.1657910132438,"volume_molar":13.280521131362189,"formula_full":"Nd6 In22 Pt13","formula_reduced":"Nd6In22Pt13","formula_anonymous":"A6B13C22","energy":-194.76849715,"energy_per_atom":-4.75045115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.76849715,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002122,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.788000Z","spacegroup":12},{"id":"mp-1191669","created_at":"2022-09-04T14:39:07.599877Z","structure_string":"Dy6 Be2 Cr2 S14\n1.0\n4.791992 -8.299973 0.000000\n4.791992 8.299973 0.000000\n0.000000 0.000000 6.016228\nDy Be Cr S\n6 2 2 14\ndirect\n0.756099 0.148846 0.233871 Dy\n0.392746 0.243901 0.233871 Dy\n0.851154 0.607254 0.233871 Dy\n0.243901 0.851154 0.733871 Dy\n0.607254 0.756099 0.733871 Dy\n0.148846 0.392746 0.733871 Dy\n0.666667 0.333333 0.649848 Be\n0.333333 0.666667 0.149848 Be\n0.000000 0.000000 0.040673 Cr\n0.000000 0.000000 0.540673 Cr\n0.862010 0.089451 0.799664 S\n0.227440 0.137990 0.799664 S\n0.910549 0.772560 0.799664 S\n0.137990 0.910549 0.299664 S\n0.772560 0.862010 0.299664 S\n0.089451 0.227440 0.299664 S\n0.897895 0.418519 0.513665 S\n0.520624 0.102105 0.513665 S\n0.581481 0.479376 0.513665 S\n0.102105 0.581481 0.013665 S\n0.479376 0.897895 0.013665 S\n0.418519 0.520624 0.013665 S\n0.666667 0.333333 0.999958 S\n0.333333 0.666667 0.499958 S\n","nsites":24,"nelements":4,"elements":["Dy","Be","Cr","S"],"chemical_system":"Be-Cr-Dy-S","density":5.364026455030904,"density_atomic":0.050149221494932186,"volume":478.5717362018334,"volume_molar":12.008443163187618,"formula_full":"Dy6 Be2 Cr2 S14","formula_reduced":"Dy3BeCrS7","formula_anonymous":"ABC3D7","energy":-157.19925687,"energy_per_atom":-6.54996903625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.15725687,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0056408,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.208000Z","spacegroup":173},{"id":"mp-362","created_at":"2022-09-04T14:39:07.598147Z","structure_string":"Ni3 S2\n1.0\n2.886657 -2.854825 0.000000\n2.886657 2.854825 0.000000\n0.063312 0.000000 4.059410\nNi S\n3 2\ndirect\n0.756090 0.243910 0.500000 Ni\n0.243910 0.500000 0.756090 Ni\n0.500000 0.756090 0.243910 Ni\n0.254626 0.254626 0.254626 S\n0.745374 0.745374 0.745374 S\n","nsites":5,"nelements":2,"elements":["Ni","S"],"chemical_system":"Ni-S","density":5.961738946574398,"density_atomic":0.074731279360852,"volume":66.90638836593037,"volume_molar":8.058393769657181,"formula_full":"Ni3 S2","formula_reduced":"Ni3S2","formula_anonymous":"A2B3","energy":-28.47239639,"energy_per_atom":-5.694479278,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.46639639,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001056,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.956000Z","spacegroup":155},{"id":"mp-1220126","created_at":"2022-09-04T14:39:07.593796Z","structure_string":"Os1 Cl1 F8\n1.0\n5.649436 0.164263 0.043038\n0.167947 5.674351 -0.080364\n0.039451 -0.087501 6.154141\nOs Cl F\n1 1 8\ndirect\n0.500381 0.501088 0.495802 Os\n0.000115 0.999685 0.935720 Cl\n0.708898 0.232405 0.488883 F\n0.291840 0.770196 0.506274 F\n0.748571 0.181204 0.992789 F\n0.249268 0.816152 0.979773 F\n0.684919 0.626743 0.716258 F\n0.315139 0.370921 0.278908 F\n0.679929 0.645500 0.284871 F\n0.320338 0.359204 0.708921 F\n","nsites":10,"nelements":3,"elements":["Os","Cl","F"],"chemical_system":"Cl-F-Os","density":3.1824261160460123,"density_atomic":0.05074537714829116,"volume":197.0622855117897,"volume_molar":11.867368218393063,"formula_full":"Os1 Cl1 F8","formula_reduced":"OsClF8","formula_anonymous":"ABC8","energy":-44.94714809999999,"energy_per_atom":-4.49471481,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.2511481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0287586,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.660000Z","spacegroup":1},{"id":"mp-644492","created_at":"2022-09-04T14:39:07.592565Z","structure_string":"Lu2 Nb2 O8\n1.0\n5.454317 3.515725 0.000000\n-5.454317 3.515725 0.000000\n0.000000 3.393000 3.791118\nLu Nb O\n2 2 8\ndirect\n0.128706 0.871294 0.750000 Lu\n0.871294 0.128706 0.250000 Lu\n0.607264 0.392736 0.750000 Nb\n0.392736 0.607264 0.250000 Nb\n0.783206 0.720519 0.285187 O\n0.279481 0.216794 0.214813 O\n0.216794 0.279481 0.714813 O\n0.720519 0.783206 0.785187 O\n0.124453 0.549078 0.159108 O\n0.450922 0.875547 0.340892 O\n0.875547 0.450922 0.840892 O\n0.549078 0.124453 0.659108 O\n","nsites":12,"nelements":3,"elements":["Lu","Nb","O"],"chemical_system":"Lu-Nb-O","density":7.580464193268706,"density_atomic":0.08253319843834471,"volume":145.39603731660097,"volume_molar":7.296628355556531,"formula_full":"Lu2 Nb2 O8","formula_reduced":"LuNbO4","formula_anonymous":"ABC4","energy":-111.81669609,"energy_per_atom":-9.3180580075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.32069608999998,"band_gap":3.3974,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001321,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.828000Z","spacegroup":15},{"id":"mp-974505","created_at":"2022-09-04T14:39:07.591748Z","structure_string":"Re1 Te1 O3\n1.0\n4.005481 0.000000 0.000000\n0.000000 4.005481 0.000000\n0.000000 0.000000 4.005481\nRe Te O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Re","Te","O"],"chemical_system":"O-Re-Te","density":9.34888621163804,"density_atomic":0.07780472576840192,"volume":64.26344866098869,"volume_molar":7.740070671190147,"formula_full":"Re1 Te1 O3","formula_reduced":"ReTeO3","formula_anonymous":"ABC3","energy":-35.00012364,"energy_per_atom":-7.000024728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.93912364,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.104775,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.731000Z","spacegroup":221}]}