{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=12149","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=12147","results":[{"id":"mp-1247339","created_at":"2022-09-04T14:48:24.374224Z","structure_string":"Ba12 Mo8 N16\n1.0\n6.276729 0.000000 -0.000000\n0.000000 10.850269 0.000000\n-0.000000 0.000000 10.360817\nBa Mo N\n12 8 16\ndirect\n0.624985 0.158599 0.419278 Ba\n0.875015 0.841401 0.419278 Ba\n0.624985 0.341401 0.080722 Ba\n0.875015 0.658599 0.080722 Ba\n0.375015 0.841401 0.580722 Ba\n0.124985 0.158599 0.580722 Ba\n0.375015 0.658599 0.919278 Ba\n0.124985 0.341401 0.919278 Ba\n0.750000 0.500000 0.401989 Ba\n0.750000 0.000000 0.098011 Ba\n0.250000 0.500000 0.598011 Ba\n0.250000 0.000000 0.901989 Ba\n0.750000 0.500000 0.736620 Mo\n0.750000 0.000000 0.763380 Mo\n0.250000 0.500000 0.263380 Mo\n0.250000 0.000000 0.236620 Mo\n0.650877 0.250000 0.750000 Mo\n0.849123 0.750000 0.750000 Mo\n0.349123 0.750000 0.250000 Mo\n0.150877 0.250000 0.250000 Mo\n0.844304 0.351253 0.636128 N\n0.655696 0.648747 0.636128 N\n0.844304 0.148747 0.863872 N\n0.655696 0.851253 0.863872 N\n0.155696 0.648747 0.363872 N\n0.344304 0.351253 0.363872 N\n0.155696 0.851253 0.136128 N\n0.344304 0.148747 0.136128 N\n0.526868 0.411590 0.832200 N\n0.973132 0.588410 0.832200 N\n0.526868 0.088410 0.667800 N\n0.973132 0.911590 0.667800 N\n0.473132 0.588410 0.167800 N\n0.026868 0.411590 0.167800 N\n0.473132 0.911590 0.332200 N\n0.026868 0.088410 0.332200 N\n","nsites":36,"nelements":3,"elements":["Ba","Mo","N"],"chemical_system":"Ba-Mo-N","density":6.211711850798013,"density_atomic":0.051019313927449156,"volume":705.615133343286,"volume_molar":11.803649042720659,"formula_full":"Ba12 Mo8 N16","formula_reduced":"Ba3(MoN2)2","formula_anonymous":"A2B3C4","energy":-269.11880945,"energy_per_atom":-7.475522484722223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-263.34280945,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047479,"is_theoretical":true,"updated_at":"2021-11-28T01:39:03.233000Z","spacegroup":52},{"id":"mp-1186405","created_at":"2022-09-04T14:48:24.375758Z","structure_string":"Pa1 Ni1\n1.0\n3.741313 -1.800058 0.000000\n3.741313 1.800058 0.000000\n2.875252 0.000000 2.995090\nPa Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Ni\n","nsites":2,"nelements":2,"elements":["Pa","Ni"],"chemical_system":"Ni-Pa","density":11.925897435746986,"density_atomic":0.049576924411789285,"volume":40.34134879743376,"volume_molar":12.147064045320143,"formula_full":"Pa1 Ni1","formula_reduced":"PaNi","formula_anonymous":"AB","energy":-15.47903426,"energy_per_atom":-7.73951713,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.47903426,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2887613,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.290000Z","spacegroup":166},{"id":"mp-1774","created_at":"2022-09-04T14:48:24.380528Z","structure_string":"Er1 B2\n1.0\n1.638137 -2.837336 0.000000\n1.638137 2.837336 0.000000\n0.000000 0.000000 3.799124\nEr B\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n","nsites":3,"nelements":2,"elements":["Er","B"],"chemical_system":"B-Er","density":8.881021436299187,"density_atomic":0.08494675674173727,"volume":35.31623943125773,"volume_molar":7.08931216562988,"formula_full":"Er1 B2","formula_reduced":"ErB2","formula_anonymous":"AB2","energy":-19.79283819,"energy_per_atom":-6.597612730000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.79283819,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004284,"is_theoretical":false,"updated_at":"2021-11-28T01:39:30.901000Z","spacegroup":191},{"id":"mp-772633","created_at":"2022-09-04T14:48:27.584495Z","structure_string":"Sr6 Sc12 O24\n1.0\n2.891077 4.879124 0.000000\n-2.891077 4.879124 0.000000\n0.000000 0.092024 20.511742\nSr Sc O\n6 12 24\ndirect\n0.445169 0.224740 0.646042 Sr\n0.224740 0.445169 0.146042 Sr\n0.109533 0.890467 0.750000 Sr\n0.890467 0.109533 0.250000 Sr\n0.554831 0.775260 0.353958 Sr\n0.775260 0.554831 0.853958 Sr\n0.443142 0.219477 0.805709 Sc\n0.219477 0.443142 0.305709 Sc\n0.456985 0.215884 0.947774 Sc\n0.215884 0.456985 0.447774 Sc\n0.115166 0.878876 0.928883 Sc\n0.878876 0.115166 0.428883 Sc\n0.121124 0.884834 0.571117 Sc\n0.884834 0.121124 0.071117 Sc\n0.784116 0.543015 0.552226 Sc\n0.543015 0.784116 0.052226 Sc\n0.780523 0.556858 0.694291 Sc\n0.556858 0.780523 0.194291 Sc\n0.204642 0.098756 0.003130 O\n0.098756 0.204642 0.503130 O\n0.355099 0.982491 0.874413 O\n0.982491 0.355099 0.374413 O\n0.329344 0.104311 0.251903 O\n0.104311 0.329344 0.751903 O\n0.220546 0.528713 0.880577 O\n0.528713 0.220546 0.380577 O\n0.775362 0.119749 0.875267 O\n0.119749 0.775362 0.375267 O\n0.536793 0.463207 0.750000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.463207 0.536793 0.250000 O\n0.880251 0.224638 0.624733 O\n0.224638 0.880251 0.124733 O\n0.471287 0.779454 0.619423 O\n0.779454 0.471287 0.119423 O\n0.670656 0.895689 0.748097 O\n0.895689 0.670656 0.248097 O\n0.017509 0.644901 0.625587 O\n0.644901 0.017509 0.125587 O\n0.795358 0.901244 0.996870 O\n0.901244 0.795358 0.496870 O\n","nsites":42,"nelements":3,"elements":["Sr","Sc","O"],"chemical_system":"O-Sc-Sr","density":4.158496481148041,"density_atomic":0.07257971110660527,"volume":578.6741137383461,"volume_molar":8.297278493096595,"formula_full":"Sr6 Sc12 O24","formula_reduced":"SrSc2O4","formula_anonymous":"AB2C4","energy":-361.32278399,"energy_per_atom":-8.602923428333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-344.83478399,"band_gap":4.035,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.39e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:11.771000Z","spacegroup":15},{"id":"mp-1190105","created_at":"2022-09-04T14:48:29.078065Z","structure_string":"K3 C6 N9 O1\n1.0\n3.856129 0.000000 0.000000\n-0.375141 8.123561 0.000000\n-1.787933 -3.144952 9.540174\nK C N O\n3 6 9 1\ndirect\n0.024051 0.978463 0.001667 K\n0.508011 0.760554 0.378538 K\n0.875712 0.440898 0.874105 K\n0.071616 0.177918 0.504819 C\n0.051313 0.468842 0.531335 C\n0.829062 0.272777 0.313956 C\n0.285211 0.080225 0.684729 C\n0.296263 0.676990 0.737851 C\n0.560098 0.360492 0.136488 C\n0.414610 0.104752 0.804216 N\n0.440075 0.722068 0.858037 N\n0.452534 0.468963 0.088782 N\n0.126902 0.342637 0.589896 N\n0.891540 0.438231 0.396696 N\n0.935817 0.137071 0.361968 N\n0.147340 0.042120 0.551575 N\n0.136856 0.639281 0.608722 N\n0.663102 0.230786 0.177826 N\n0.902687 0.974333 0.276294 O\n","nsites":19,"nelements":4,"elements":["K","C","N","O"],"chemical_system":"C-K-N-O","density":1.8415009288628628,"density_atomic":0.06357689374748525,"volume":298.85071257907333,"volume_molar":9.472216091460433,"formula_full":"K3 C6 N9 O1","formula_reduced":"K3C6N9O","formula_anonymous":"AB3C6D9","energy":-146.49203702,"energy_per_atom":-7.710107211578947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.55603702,"band_gap":2.6745,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0089181,"is_theoretical":false,"updated_at":"2021-11-28T01:39:18.289000Z","spacegroup":1},{"id":"mp-1190231","created_at":"2022-09-04T14:48:27.591398Z","structure_string":"Lu4 Ga12 Pd1\n1.0\n-4.282999 4.282999 4.282999\n4.282999 -4.282999 4.282999\n4.282999 4.282999 -4.282999\nLu Ga Pd\n4 12 1\ndirect\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.704322 0.704322 0.000000 Ga\n0.295678 0.000000 0.295678 Ga\n0.000000 0.295678 0.295678 Ga\n0.295678 0.295678 0.000000 Ga\n0.704322 0.000000 0.704322 Ga\n0.000000 0.704322 0.704322 Ga\n0.000000 0.000000 0.000000 Pd\n","nsites":17,"nelements":3,"elements":["Lu","Ga","Pd"],"chemical_system":"Ga-Lu-Pd","density":8.681069528502434,"density_atomic":0.054093491112582666,"volume":314.2707126189834,"volume_molar":11.13283804786486,"formula_full":"Lu4 Ga12 Pd1","formula_reduced":"Lu4Ga12Pd","formula_anonymous":"AB4C12","energy":-69.0301204,"energy_per_atom":-4.060595317647059,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.0301204,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0156101,"is_theoretical":false,"updated_at":"2021-11-28T01:39:18.531000Z","spacegroup":229},{"id":"mp-16814","created_at":"2022-09-04T14:48:27.624204Z","structure_string":"K2 Th4 V6 O24\n1.0\n3.604751 9.380885 0.000000\n-3.604751 9.380885 0.000000\n0.000000 1.568642 8.102643\nK Th V O\n2 4 6 24\ndirect\n0.615415 0.384585 0.250000 K\n0.384585 0.615415 0.750000 K\n0.058637 0.249386 0.463187 Th\n0.750614 0.941363 0.036813 Th\n0.941363 0.750614 0.536813 Th\n0.249386 0.058637 0.963187 Th\n0.106131 0.893869 0.250000 V\n0.893869 0.106131 0.750000 V\n0.605181 0.775706 0.316878 V\n0.224294 0.394819 0.183122 V\n0.394819 0.224294 0.683122 V\n0.775706 0.605181 0.816878 V\n0.268658 0.799459 0.075474 O\n0.200541 0.731342 0.424526 O\n0.731342 0.200541 0.924526 O\n0.799459 0.268658 0.575474 O\n0.043978 0.107450 0.259709 O\n0.892550 0.956022 0.240291 O\n0.956022 0.892550 0.740291 O\n0.107450 0.043978 0.759709 O\n0.754882 0.524286 0.336981 O\n0.475714 0.245118 0.163019 O\n0.245118 0.475714 0.663019 O\n0.524286 0.754882 0.836981 O\n0.919827 0.381861 0.936251 O\n0.618139 0.080173 0.563749 O\n0.080173 0.618139 0.063749 O\n0.381861 0.919827 0.436251 O\n0.821600 0.742344 0.824209 O\n0.257656 0.178400 0.675791 O\n0.178400 0.257656 0.175791 O\n0.742344 0.821600 0.324209 O\n0.856585 0.554178 0.609299 O\n0.445822 0.143415 0.890701 O\n0.143415 0.445822 0.390701 O\n0.554178 0.856585 0.109299 O\n","nsites":36,"nelements":4,"elements":["K","Th","V","O"],"chemical_system":"K-O-Th-V","density":5.139192929571991,"density_atomic":0.06569415301092123,"volume":547.9939743498213,"volume_molar":9.166935692129037,"formula_full":"K2 Th4 V6 O24","formula_reduced":"KTh2V3O12","formula_anonymous":"AB2C3D12","energy":-315.1112662,"energy_per_atom":-8.753090727777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-288.4232662,"band_gap":3.0708,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005939,"is_theoretical":false,"updated_at":"2021-11-28T01:39:44.555000Z","spacegroup":15},{"id":"mp-976943","created_at":"2022-09-04T14:48:28.559858Z","structure_string":"Na1 Re3\n1.0\n0.000000 3.125462 3.125462\n3.125462 0.000000 3.125462\n3.125462 3.125462 0.000000\nNa Re\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Re\n0.250000 0.250000 0.250000 Re\n0.500000 0.500000 0.500000 Re\n","nsites":4,"nelements":2,"elements":["Na","Re"],"chemical_system":"Na-Re","density":15.816444879461987,"density_atomic":0.06550694206555342,"volume":61.062230564772236,"volume_molar":9.193133689515816,"formula_full":"Na1 Re3","formula_reduced":"NaRe3","formula_anonymous":"AB3","energy":-35.42297073,"energy_per_atom":-8.8557426825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.42297073,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0065229,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.350000Z","spacegroup":225},{"id":"mp-865425","created_at":"2022-09-04T14:48:24.177707Z","structure_string":"Zn1 Pd3\n1.0\n-1.981064 1.981064 3.872509\n1.981064 -1.981064 3.872509\n1.981064 1.981064 -3.872509\nZn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n","nsites":4,"nelements":2,"elements":["Zn","Pd"],"chemical_system":"Pd-Zn","density":10.507196318551555,"density_atomic":0.06579767565895671,"volume":60.79242100789163,"volume_molar":9.152512911267612,"formula_full":"Zn1 Pd3","formula_reduced":"ZnPd3","formula_anonymous":"AB3","energy":-18.14132742,"energy_per_atom":-4.535331855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.14132742,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001558,"is_theoretical":true,"updated_at":"2021-11-28T01:39:30.023000Z","spacegroup":139},{"id":"mp-1094565","created_at":"2022-09-04T14:48:24.741999Z","structure_string":"Mg2 Sb2\n1.0\n1.600830 5.745021 0.000000\n-1.600830 5.745021 0.000000\n0.000000 0.596031 5.413865\nMg Sb\n2 2\ndirect\n0.621851 0.621851 0.710765 Mg\n0.378149 0.378149 0.289235 Mg\n0.877962 0.877962 0.781059 Sb\n0.122038 0.122038 0.218941 Sb\n","nsites":4,"nelements":2,"elements":["Mg","Sb"],"chemical_system":"Mg-Sb","density":4.871368724009086,"density_atomic":0.04016851149828121,"volume":99.58048856680084,"volume_molar":14.992192977471133,"formula_full":"Mg2 Sb2","formula_reduced":"MgSb","formula_anonymous":"AB","energy":-12.41961198,"energy_per_atom":-3.104902995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.03561198,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009876,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.761000Z","spacegroup":12},{"id":"mp-695409","created_at":"2022-09-04T14:48:23.727917Z","structure_string":"Ba7 Na3 Ti7 Nb3 O30\n1.0\n4.028513 0.000000 0.000000\n0.000000 8.056735 0.000000\n0.000000 0.009722 20.173269\nBa Na Ti Nb O\n7 3 7 3 30\ndirect\n0.000000 0.502605 0.004510 Ba\n0.000000 0.501651 0.198488 Ba\n0.000000 0.501434 0.399513 Ba\n0.000000 0.998273 0.198795 Ba\n0.000000 0.998556 0.399502 Ba\n0.000000 0.505520 0.599651 Ba\n0.000000 0.994487 0.599670 Ba\n0.000000 0.998012 0.003656 Na\n0.000000 0.505201 0.798491 Na\n0.000000 0.994614 0.798299 Na\n0.500000 0.757742 0.097279 Ti\n0.500000 0.249884 0.298606 Ti\n0.500000 0.750085 0.298789 Ti\n0.500000 0.243751 0.100249 Ti\n0.500000 0.750025 0.500061 Ti\n0.500000 0.750058 0.703246 Ti\n0.500000 0.249980 0.497589 Ti\n0.500000 0.249976 0.703314 Nb\n0.500000 0.752709 0.896694 Nb\n0.500000 0.245722 0.901225 Nb\n0.000000 0.751706 0.099518 O\n0.000000 0.750060 0.300067 O\n0.000000 0.248269 0.099174 O\n0.000000 0.249929 0.300093 O\n0.000000 0.750744 0.899646 O\n0.000000 0.249485 0.898990 O\n0.500000 0.749942 0.999797 O\n0.500000 0.751117 0.200462 O\n0.500000 0.499041 0.098973 O\n0.500000 0.249625 0.999162 O\n0.500000 0.498886 0.300065 O\n0.500000 0.499739 0.500109 O\n0.500000 0.999123 0.701053 O\n0.500000 0.248902 0.199799 O\n0.500000 0.249977 0.400969 O\n0.500000 0.000560 0.099840 O\n0.500000 0.001117 0.300134 O\n0.500000 0.750029 0.400184 O\n0.500000 0.749975 0.599816 O\n0.500000 0.500912 0.701146 O\n0.500000 0.500284 0.899693 O\n0.500000 0.250011 0.601327 O\n0.500000 0.249325 0.800812 O\n0.500000 0.000251 0.500110 O\n0.500000 0.750943 0.800182 O\n0.500000 0.999780 0.898890 O\n0.000000 0.750001 0.499915 O\n0.000000 0.749978 0.701091 O\n0.000000 0.249993 0.500261 O\n0.000000 0.250013 0.701094 O\n","nsites":50,"nelements":5,"elements":["Ba","Na","Ti","Nb","O"],"chemical_system":"Ba-Na-Nb-O-Ti","density":5.386780735285235,"density_atomic":0.07636421224806071,"volume":654.7569670146079,"volume_molar":7.886077237905291,"formula_full":"Ba7 Na3 Ti7 Nb3 O30","formula_reduced":"Ba7Na3Ti7Nb3O30","formula_anonymous":"A3B3C7D7E30","energy":-415.01459796000006,"energy_per_atom":-8.3002919592,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-394.40459796,"band_gap":1.114,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0120748,"is_theoretical":true,"updated_at":"2021-11-28T01:38:57.918000Z","spacegroup":6},{"id":"mp-1018895","created_at":"2022-09-04T14:48:27.654768Z","structure_string":"Pr2 Fe2 Si2\n1.0\n4.070091 0.000000 0.000000\n0.000000 4.070091 0.000000\n0.000000 0.000000 7.082461\nPr Fe Si\n2 2 2\ndirect\n0.000000 0.500000 0.313300 Pr\n0.500000 0.000000 0.686700 Pr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.842014 Si\n0.500000 0.000000 0.157986 Si\n","nsites":6,"nelements":3,"elements":["Pr","Fe","Si"],"chemical_system":"Fe-Pr-Si","density":6.364388258150685,"density_atomic":0.05113977581889868,"volume":117.32550453971099,"volume_molar":11.77584505126931,"formula_full":"Pr2 Fe2 Si2","formula_reduced":"PrFeSi","formula_anonymous":"ABC","energy":-40.55216327,"energy_per_atom":-6.758693878333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.69416327,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.020984,"is_theoretical":false,"updated_at":"2021-11-28T01:39:19.720000Z","spacegroup":129}]}