{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=4","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=2","results":[{"id":"mp-1001079","created_at":"2022-09-04T14:43:59.349818Z","structure_string":"Li2 C4 N4\n1.0\n5.014605 3.785889 0.000000\n-5.014605 3.785889 0.000000\n0.000000 0.585421 3.426863\nLi C N\n2 4 4\ndirect\n0.360162 0.639838 0.500000 Li\n0.639838 0.360162 0.500000 Li\n0.117289 0.882711 0.000000 C\n0.856442 0.856442 0.189619 C\n0.882711 0.117289 0.000000 C\n0.143558 0.143558 0.810381 C\n0.296486 0.296486 0.645142 N\n0.762714 0.237286 0.000000 N\n0.237286 0.762714 0.000000 N\n0.703514 0.703514 0.354858 N\n","nsites":10,"nelements":3,"elements":["Li","C","N"],"chemical_system":"C-Li-N","density":1.5052948986966412,"density_atomic":0.07685438576834752,"volume":130.11619180903662,"volume_molar":7.835780222291776,"formula_full":"Li2 C4 N4","formula_reduced":"Li(CN)2","formula_anonymous":"AB2C2","energy":-74.08722546,"energy_per_atom":-7.408722546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.64322546,"band_gap":1.6458,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003481,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.493000Z","spacegroup":12},{"id":"mp-1001080","created_at":"2022-09-04T14:42:16.641775Z","structure_string":"H4 C2 O6\n1.0\n3.356068 -3.361622 0.000000\n3.356068 3.361622 0.000000\n0.000000 0.000000 6.583365\nH C O\n4 2 6\ndirect\n0.666698 0.666698 0.541709 H\n0.666698 0.666698 0.958291 H\n0.333302 0.333302 0.041709 H\n0.333302 0.333302 0.458291 H\n0.647571 0.647571 0.250000 C\n0.352429 0.352429 0.750000 C\n0.459049 0.459049 0.250000 O\n0.540951 0.540951 0.750000 O\n0.755466 0.755466 0.416161 O\n0.755466 0.755466 0.083839 O\n0.244534 0.244534 0.916161 O\n0.244534 0.244534 0.583839 O\n","nsites":12,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.386713573646842,"density_atomic":0.08078369003991466,"volume":148.54483614292542,"volume_molar":7.454649270198604,"formula_full":"H4 C2 O6","formula_reduced":"H2CO3","formula_anonymous":"AB2C3","energy":-79.96584308,"energy_per_atom":-6.663820256666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.84384308,"band_gap":5.6848,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.832000Z","spacegroup":63},{"id":"mp-1001082","created_at":"2022-09-04T14:43:38.201101Z","structure_string":"Si2 C4 O4\n1.0\n-1.452006 3.516138 6.392385\n1.452006 -3.516138 6.392385\n1.452006 3.516138 -6.392385\nSi C O\n2 4 4\ndirect\n0.622930 0.122930 0.500000 Si\n0.377070 0.877070 0.500000 Si\n0.916863 0.916863 0.000000 C\n0.143341 0.000000 0.143341 C\n0.083137 0.083137 0.000000 C\n0.856659 0.000000 0.856659 C\n0.665174 0.000000 0.665174 O\n0.180243 0.180243 0.000000 O\n0.819757 0.819757 0.000000 O\n0.334826 0.000000 0.334826 O\n","nsites":10,"nelements":3,"elements":["Si","C","O"],"chemical_system":"C-O-Si","density":2.1396724019880886,"density_atomic":0.07660246802245566,"volume":130.54409679161444,"volume_molar":7.861549262661664,"formula_full":"Si2 C4 O4","formula_reduced":"Si(CO)2","formula_anonymous":"AB2C2","energy":-72.13562204,"energy_per_atom":-7.2135622040000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.52962204,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007821,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.585000Z","spacegroup":71},{"id":"mp-1001112","created_at":"2022-09-04T14:45:11.793368Z","structure_string":"Na16 H24 C8 O48\n1.0\n6.871644 0.000000 0.000000\n0.000000 9.158787 0.000000\n0.000000 0.000000 15.929610\nNa H C O\n16 24 8 48\ndirect\n0.252994 0.765426 0.511094 Na\n0.247006 0.265426 0.488906 Na\n0.747006 0.734574 0.011094 Na\n0.752994 0.234574 0.988906 Na\n0.747006 0.234574 0.488906 Na\n0.752994 0.734574 0.511094 Na\n0.252994 0.265426 0.988906 Na\n0.247006 0.765426 0.011094 Na\n0.242053 0.500922 0.749747 Na\n0.257947 0.000922 0.250253 Na\n0.757947 0.999078 0.249747 Na\n0.742053 0.499078 0.750253 Na\n0.757947 0.499078 0.250253 Na\n0.742053 0.999078 0.749747 Na\n0.242053 0.000922 0.750253 Na\n0.257947 0.500922 0.249747 Na\n0.947328 0.774554 0.688566 H\n0.552672 0.274554 0.311434 H\n0.052672 0.725446 0.188566 H\n0.447328 0.225446 0.811434 H\n0.052672 0.225446 0.311434 H\n0.447328 0.725446 0.688566 H\n0.947328 0.274554 0.811434 H\n0.552672 0.774554 0.188566 H\n0.044468 0.016635 0.604117 H\n0.455532 0.516635 0.395883 H\n0.955532 0.483365 0.104117 H\n0.544468 0.983365 0.895883 H\n0.955532 0.983365 0.395883 H\n0.544468 0.483365 0.604117 H\n0.044468 0.516635 0.895883 H\n0.455532 0.016635 0.104117 H\n0.042778 0.470541 0.582094 H\n0.457222 0.970541 0.417906 H\n0.957222 0.029459 0.082094 H\n0.542778 0.529459 0.917906 H\n0.957222 0.529459 0.417906 H\n0.542778 0.029459 0.582094 H\n0.042778 0.970541 0.917906 H\n0.457222 0.470541 0.082094 H\n0.995956 0.751952 0.838109 C\n0.504044 0.251952 0.161891 C\n0.004044 0.748048 0.338109 C\n0.495956 0.248048 0.661891 C\n0.004044 0.248048 0.161891 C\n0.495956 0.748048 0.838109 C\n0.995956 0.251952 0.661891 C\n0.504044 0.751952 0.338109 C\n0.987387 0.678816 0.768141 O\n0.512613 0.178816 0.231859 O\n0.012613 0.821184 0.268141 O\n0.487387 0.321184 0.731859 O\n0.012613 0.321184 0.231859 O\n0.487387 0.821184 0.768141 O\n0.987387 0.178816 0.731859 O\n0.512613 0.678816 0.268141 O\n0.006624 0.682949 0.909392 O\n0.493376 0.182949 0.090608 O\n0.993376 0.817051 0.409392 O\n0.506624 0.317051 0.590608 O\n0.993376 0.317051 0.090608 O\n0.506624 0.817051 0.909392 O\n0.006624 0.182949 0.590608 O\n0.493376 0.682949 0.409392 O\n0.993964 0.893793 0.835703 O\n0.506036 0.393793 0.164297 O\n0.006036 0.606207 0.335703 O\n0.493964 0.106207 0.664297 O\n0.006036 0.106207 0.164297 O\n0.493964 0.606207 0.835703 O\n0.993964 0.393793 0.664297 O\n0.506036 0.893793 0.335703 O\n0.904240 0.837987 0.638088 O\n0.595760 0.337987 0.361912 O\n0.095760 0.662013 0.138088 O\n0.404240 0.162013 0.861912 O\n0.095760 0.162013 0.361912 O\n0.404240 0.662013 0.638088 O\n0.904240 0.337987 0.861912 O\n0.595760 0.837987 0.138088 O\n0.089265 0.910392 0.615425 O\n0.410735 0.410392 0.384575 O\n0.910735 0.589608 0.115425 O\n0.589265 0.089608 0.884575 O\n0.910735 0.089608 0.384575 O\n0.589265 0.589608 0.615425 O\n0.089265 0.410392 0.884575 O\n0.410735 0.910392 0.115425 O\n0.085510 0.519105 0.526276 O\n0.414490 0.019105 0.473724 O\n0.914490 0.980895 0.026276 O\n0.585510 0.480895 0.973724 O\n0.914490 0.480895 0.473724 O\n0.585510 0.980895 0.526276 O\n0.085510 0.019105 0.973724 O\n0.414490 0.519105 0.026276 O\n","nsites":96,"nelements":4,"elements":["Na","H","C","O"],"chemical_system":"C-H-Na-O","density":2.080481758677208,"density_atomic":0.09575632694996623,"volume":1002.5447201014831,"volume_molar":6.289026481922847,"formula_full":"Na16 H24 C8 O48","formula_reduced":"Na2H3CO6","formula_anonymous":"AB2C3D6","energy":-534.64479323,"energy_per_atom":-5.569216596145833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-526.91679323,"band_gap":3.5954,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025544,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.221000Z","spacegroup":61},{"id":"mp-1001113","created_at":"2022-09-04T14:39:38.610851Z","structure_string":"Si4\n1.0\n1.631200 -4.716634 0.000000\n1.631200 4.716634 0.000000\n0.000000 0.000000 3.991753\nSi\n4\ndirect\n0.895850 0.104150 0.750000 Si\n0.624969 0.375031 0.750000 Si\n0.104150 0.895850 0.250000 Si\n0.375031 0.624969 0.250000 Si\n","nsites":4,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":3.0370937819433053,"density_atomic":0.06512188233253421,"volume":61.42328594825708,"volume_molar":9.247491848053356,"formula_full":"Si4","formula_reduced":"Si","formula_anonymous":"A","energy":-19.74196027,"energy_per_atom":-4.9354900675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.74196027,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.76e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.698000Z","spacegroup":63},{"id":"mp-1001117","created_at":"2022-09-04T14:40:17.012302Z","structure_string":"Mn3 N2\n1.0\n-1.518223 -2.642957 -0.007156\n-1.529756 2.649616 0.000000\n-0.013031 -0.007524 -5.881927\nMn N\n3 2\ndirect\n0.330338 0.665169 0.665449 Mn\n0.669662 0.334831 0.334551 Mn\n0.000000 0.000000 0.000000 Mn\n0.339467 0.669733 0.242315 N\n0.660533 0.330267 0.757685 N\n","nsites":5,"nelements":2,"elements":["Mn","N"],"chemical_system":"Mn-N","density":6.749238393276186,"density_atomic":0.10539175237901428,"volume":47.442042542558625,"volume_molar":5.714053162663927,"formula_full":"Mn3 N2","formula_reduced":"Mn3N2","formula_anonymous":"A2B3","energy":-45.34866489000001,"energy_per_atom":-9.069732978000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.62666489,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0812051,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.894000Z","spacegroup":164},{"id":"mp-10013","created_at":"2022-09-04T14:42:11.145393Z","structure_string":"Sn1 S1\n1.0\n0.000000 3.265142 3.265142\n3.265142 0.000000 3.265142\n3.265142 3.265142 0.000000\nSn S\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 S\n","nsites":2,"nelements":2,"elements":["Sn","S"],"chemical_system":"S-Sn","density":3.5961866036389187,"density_atomic":0.028727231880383366,"volume":69.62035215671848,"volume_molar":20.963178022426415,"formula_full":"Sn1 S1","formula_reduced":"SnS","formula_anonymous":"AB","energy":-8.9676165,"energy_per_atom":-4.48380825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.4646165,"band_gap":0.1654,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002162,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.393000Z","spacegroup":216},{"id":"mp-10014","created_at":"2022-09-04T14:42:51.145105Z","structure_string":"Ta1 S2\n1.0\n6.889292 -1.671874 0.000000\n6.889292 1.671874 0.000000\n6.483567 0.000000 2.867206\nTa S\n1 2\ndirect\n0.833235 0.833235 0.833235 Ta\n0.423529 0.423529 0.423529 S\n0.576236 0.576236 0.576236 S\n","nsites":3,"nelements":2,"elements":["Ta","S"],"chemical_system":"S-Ta","density":6.161496177825025,"density_atomic":0.04542074211824477,"volume":66.04911897278203,"volume_molar":13.258569717602667,"formula_full":"Ta1 S2","formula_reduced":"TaS2","formula_anonymous":"AB2","energy":-24.281337300000004,"energy_per_atom":-8.0937791,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.2753373,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2011227,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.849000Z","spacegroup":160},{"id":"mp-10015","created_at":"2022-09-04T14:41:55.573069Z","structure_string":"Si1 Os1\n1.0\n2.959287 0.000000 0.000000\n0.000000 2.959287 0.000000\n0.000000 0.000000 2.959287\nSi Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Os\n","nsites":2,"nelements":2,"elements":["Si","Os"],"chemical_system":"Os-Si","density":13.988540657606537,"density_atomic":0.07717359591618682,"volume":25.915599451554247,"volume_molar":7.803369388851925,"formula_full":"Si1 Os1","formula_reduced":"SiOs","formula_anonymous":"AB","energy":-17.255348079999997,"energy_per_atom":-8.627674039999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.32634808,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002292,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.453000Z","spacegroup":221},{"id":"mp-1001571","created_at":"2022-09-04T14:42:27.220039Z","structure_string":"Ca1 Fe1 O3\n1.0\n3.836610 0.000000 0.000000\n0.000000 3.836610 0.000000\n0.000000 0.000000 3.836610\nCa Fe O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ca","Fe","O"],"chemical_system":"Ca-Fe-O","density":4.231856237217894,"density_atomic":0.08853745641857186,"volume":56.47327359803378,"volume_molar":6.801800055707021,"formula_full":"Ca1 Fe1 O3","formula_reduced":"CaFeO3","formula_anonymous":"ABC3","energy":-36.201363,"energy_per_atom":-7.2402726,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.884363,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0602088,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.037000Z","spacegroup":221},{"id":"mp-1001581","created_at":"2022-09-04T14:45:55.790727Z","structure_string":"Li1 C6\n1.0\n2.161647 -3.744082 0.000000\n2.161647 3.744082 0.000000\n0.000000 0.000000 3.745368\nLi C\n1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.333550 0.500000 C\n0.666450 0.666450 0.500000 C\n0.333550 0.000000 0.500000 C\n0.000000 0.666450 0.500000 C\n0.333550 0.333550 0.500000 C\n0.666450 0.000000 0.500000 C\n","nsites":7,"nelements":2,"elements":["Li","C"],"chemical_system":"C-Li","density":2.1639646240604624,"density_atomic":0.11546315557937004,"volume":60.62540006702103,"volume_molar":5.215638469070201,"formula_full":"Li1 C6","formula_reduced":"LiC6","formula_anonymous":"AB6","energy":-57.29369405,"energy_per_atom":-8.184813435714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.29369405,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003335,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.877000Z","spacegroup":191},{"id":"mp-1001594","created_at":"2022-09-04T14:42:15.527558Z","structure_string":"C48 O36\n1.0\n7.414046 -7.427130 0.000000\n7.414046 7.427130 0.000000\n-0.026191 0.000000 10.494267\nC O\n48 36\ndirect\n0.514686 0.198278 0.618105 C\n0.198278 0.618105 0.514686 C\n0.618105 0.514686 0.198278 C\n0.419468 0.302770 0.609733 C\n0.302770 0.609733 0.419468 C\n0.609733 0.419468 0.302770 C\n0.177090 0.992434 0.115502 C\n0.992434 0.115502 0.177090 C\n0.115502 0.177090 0.992434 C\n0.238727 0.870795 0.153987 C\n0.870795 0.153987 0.238727 C\n0.153987 0.238727 0.870795 C\n0.678611 0.699061 0.074181 C\n0.699061 0.074181 0.678611 C\n0.074181 0.678611 0.699061 C\n0.774702 0.803118 0.081762 C\n0.803118 0.081762 0.774702 C\n0.081762 0.774702 0.803118 C\n0.013477 0.494060 0.574856 C\n0.494060 0.574856 0.013477 C\n0.574856 0.013477 0.494060 C\n0.917659 0.389712 0.582394 C\n0.389712 0.582394 0.917659 C\n0.582394 0.917659 0.389712 C\n0.677368 0.991924 0.576559 C\n0.991924 0.576559 0.677368 C\n0.576559 0.677368 0.991924 C\n0.740078 0.871227 0.536629 C\n0.871227 0.536629 0.740078 C\n0.536629 0.740078 0.871227 C\n0.014217 0.198729 0.075295 C\n0.198729 0.075295 0.014217 C\n0.075295 0.014217 0.198729 C\n0.918545 0.302820 0.083814 C\n0.302820 0.083814 0.918545 C\n0.083814 0.918545 0.302820 C\n0.516075 0.492400 0.115065 C\n0.492400 0.115065 0.516075 C\n0.115065 0.516075 0.492400 C\n0.453319 0.371591 0.154348 C\n0.371591 0.154348 0.453319 C\n0.154348 0.453319 0.371591 C\n0.175952 0.701123 0.616058 C\n0.701123 0.616058 0.175952 C\n0.616058 0.175952 0.701123 C\n0.237728 0.822687 0.655337 C\n0.822687 0.655337 0.237728 C\n0.655337 0.237728 0.822687 C\n0.332811 0.268018 0.513042 O\n0.268018 0.513042 0.332811 O\n0.513042 0.332811 0.268018 O\n0.411874 0.403792 0.663497 O\n0.403792 0.663497 0.411874 O\n0.663497 0.411874 0.403792 O\n0.317796 0.806314 0.101815 O\n0.806314 0.101815 0.317796 O\n0.101815 0.317796 0.806314 O\n0.861782 0.768303 0.178026 O\n0.768303 0.178026 0.861782 O\n0.178026 0.861782 0.768303 O\n0.782176 0.903821 0.027891 O\n0.903821 0.027891 0.782176 O\n0.027891 0.782176 0.903821 O\n0.832273 0.423126 0.679991 O\n0.423126 0.679991 0.832273 O\n0.679991 0.832273 0.423126 O\n0.909378 0.289786 0.526691 O\n0.289786 0.526691 0.909378 O\n0.526691 0.909378 0.289786 O\n0.821746 0.808456 0.586565 O\n0.808456 0.586565 0.821746 O\n0.586565 0.821746 0.808456 O\n0.832497 0.268061 0.180610 O\n0.268061 0.180610 0.832497 O\n0.180610 0.832497 0.268061 O\n0.909864 0.402838 0.028826 O\n0.402838 0.028826 0.909864 O\n0.028826 0.909864 0.402838 O\n0.370937 0.308814 0.104908 O\n0.308814 0.104908 0.370937 O\n0.104908 0.370937 0.308814 O\n0.319457 0.885708 0.605290 O\n0.885708 0.605290 0.319457 O\n0.605290 0.319457 0.885708 O\n","nsites":84,"nelements":2,"elements":["C","O"],"chemical_system":"C-O","density":1.655879043528273,"density_atomic":0.07268099748623257,"volume":1155.7353765805362,"volume_molar":8.285715617951901,"formula_full":"C48 O36","formula_reduced":"C4O3","formula_anonymous":"A3B4","energy":-696.7543307599999,"energy_per_atom":-8.294694413809523,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-672.02233076,"band_gap":2.4613,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002161,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.853000Z","spacegroup":146}]}