{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-elements&page=10267","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-elements&page=10265","results":[{"id":"mp-989466","created_at":"2022-09-04T14:46:55.335849Z","structure_string":"B8 C12 N24\n1.0\n2.178900 9.727440 0.000000\n-2.178900 9.727440 0.000000\n0.000000 1.085838 6.878990\nB C N\n8 12 24\ndirect\n0.631804 0.994332 0.031915 B\n0.733659 0.388275 0.446352 B\n0.611725 0.266341 0.053648 B\n0.388275 0.733659 0.946352 B\n0.994332 0.631804 0.531915 B\n0.368196 0.005668 0.968085 B\n0.266341 0.611725 0.553648 B\n0.005668 0.368196 0.468085 B\n0.808217 0.097875 0.688840 C\n0.118585 0.460247 0.216891 C\n0.184561 0.563734 0.916311 C\n0.436266 0.815439 0.583689 C\n0.563734 0.184561 0.416311 C\n0.881415 0.539753 0.783109 C\n0.539753 0.881415 0.283109 C\n0.815439 0.436266 0.083689 C\n0.902125 0.191783 0.811160 C\n0.460247 0.118585 0.716891 C\n0.097875 0.808217 0.188840 C\n0.191783 0.902125 0.311160 C\n0.969163 0.664352 0.036612 N\n0.470235 0.218691 0.864269 N\n0.934668 0.243689 0.284233 N\n0.193934 0.861042 0.117953 N\n0.065332 0.756311 0.715767 N\n0.756311 0.065332 0.215767 N\n0.280278 0.571097 0.042641 N\n0.579960 0.885159 0.821626 N\n0.571097 0.280278 0.542641 N\n0.861042 0.193934 0.617953 N\n0.420040 0.114841 0.178374 N\n0.428903 0.719722 0.457359 N\n0.114841 0.420040 0.678374 N\n0.664352 0.969163 0.536612 N\n0.806066 0.138958 0.882047 N\n0.218691 0.470235 0.364269 N\n0.781309 0.529765 0.635731 N\n0.243689 0.934668 0.784233 N\n0.335648 0.030837 0.463388 N\n0.719722 0.428903 0.957359 N\n0.885159 0.579960 0.321626 N\n0.138958 0.806066 0.382047 N\n0.030837 0.335648 0.963388 N\n0.529765 0.781309 0.135731 N\n","nsites":44,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.227534813709635,"density_atomic":0.1508905852877947,"volume":291.60202351974766,"volume_molar":3.9910646171289796,"formula_full":"B8 C12 N24","formula_reduced":"B2(CN2)3","formula_anonymous":"A2B3C6","energy":-358.24782821,"energy_per_atom":-8.141996095681819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-349.58382821,"band_gap":1.9254999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011448,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.310000Z","spacegroup":15},{"id":"mp-1008523","created_at":"2022-09-04T14:41:16.115915Z","structure_string":"B1 C2 N1\n1.0\n2.568581 0.000000 0.000000\n0.000000 2.568581 0.000000\n0.000000 0.000000 3.675626\nB C N\n1 2 1\ndirect\n0.500000 0.500000 0.500000 B\n0.500000 0.000000 0.247981 C\n0.000000 0.500000 0.752019 C\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.344251290701053,"density_atomic":0.16494613550514417,"volume":24.250340802166004,"volume_molar":3.650974144715375,"formula_full":"B1 C2 N1","formula_reduced":"BC2N","formula_anonymous":"ABC2","energy":-32.41955521,"energy_per_atom":-8.1048888025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.05855521,"band_gap":1.5215999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001645,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.873000Z","spacegroup":115},{"id":"mp-1079201","created_at":"2022-09-04T14:41:28.121140Z","structure_string":"B2 C4 N2\n1.0\n2.561324 2.583657 0.000000\n-2.561324 2.583657 0.000000\n0.000000 0.018266 3.636656\nB C N\n2 4 2\ndirect\n0.252561 0.252561 0.750710 B\n0.996545 0.996545 0.495591 B\n0.502451 0.502451 0.494637 C\n0.254680 0.750272 0.254416 C\n0.750272 0.254680 0.254416 C\n0.748355 0.748355 0.749905 C\n0.993860 0.501276 0.000162 N\n0.501276 0.993860 0.000162 N\n","nsites":8,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.369885550699512,"density_atomic":0.16621047593764604,"volume":48.13174353102271,"volume_molar":3.6232016821004778,"formula_full":"B2 C4 N2","formula_reduced":"BC2N","formula_anonymous":"ABC2","energy":-65.69479811,"energy_per_atom":-8.21184976375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.97279811,"band_gap":0.7324000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004629,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.088000Z","spacegroup":8},{"id":"mp-30148","created_at":"2022-09-04T14:48:23.394549Z","structure_string":"B2 C4 N2\n1.0\n3.601750 0.000000 0.000000\n0.000000 3.607643 0.000000\n0.000000 0.000000 3.651023\nB C N\n2 4 2\ndirect\n0.747227 0.500000 0.000000 B\n0.252773 0.000000 0.000000 B\n0.744874 0.000000 0.500000 C\n0.255126 0.500000 0.500000 C\n0.500000 0.750000 0.742496 C\n0.500000 0.250000 0.257504 C\n0.000000 0.250000 0.741930 N\n0.000000 0.750000 0.258070 N\n","nsites":8,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.4189681649775543,"density_atomic":0.168631342924575,"volume":47.44076552588578,"volume_molar":3.571187096987995,"formula_full":"B2 C4 N2","formula_reduced":"BC2N","formula_anonymous":"ABC2","energy":-68.44809387,"energy_per_atom":-8.55601173375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.72609387,"band_gap":2.1099,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003188,"is_theoretical":true,"updated_at":"2021-11-28T01:39:08.660000Z","spacegroup":17},{"id":"mp-1080483","created_at":"2022-09-04T14:41:11.965619Z","structure_string":"B2 C4 N2\n1.0\n2.537310 2.733162 0.000000\n-2.537310 2.733162 0.000000\n0.000000 0.361165 3.711425\nB C N\n2 4 2\ndirect\n0.756386 0.497483 0.861717 B\n0.502517 0.243614 0.138283 B\n0.506123 0.759737 0.616263 C\n0.000301 0.761044 0.142706 C\n0.238956 0.999699 0.857294 C\n0.240263 0.493877 0.383737 C\n0.050591 0.294191 0.667935 N\n0.705809 0.949409 0.332065 N\n","nsites":8,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.1509183964939096,"density_atomic":0.15541051422747154,"volume":51.47656862064394,"volume_molar":3.8749892759414606,"formula_full":"B2 C4 N2","formula_reduced":"BC2N","formula_anonymous":"ABC2","energy":-65.55505635,"energy_per_atom":-8.19438204375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.83305635,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005649,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.313000Z","spacegroup":5},{"id":"mp-629458","created_at":"2022-09-04T14:41:33.896073Z","structure_string":"B1 C2 N1\n1.0\n2.537445 0.000000 0.000000\n0.000000 2.565139 0.000000\n0.000000 0.000000 3.644749\nB C N\n1 2 1\ndirect\n0.000000 0.500000 0.251703 B\n0.000000 0.000000 0.509744 C\n0.500000 0.000000 0.743423 C\n0.500000 0.500000 0.995130 N\n","nsites":4,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.4185472189424697,"density_atomic":0.1686105809017161,"volume":23.72330359463988,"volume_molar":3.5716268384783834,"formula_full":"B1 C2 N1","formula_reduced":"BC2N","formula_anonymous":"ABC2","energy":-34.24444161,"energy_per_atom":-8.5611104025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.88344161,"band_gap":1.661900000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001177,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.846000Z","spacegroup":25},{"id":"mp-1008527","created_at":"2022-09-04T14:42:13.651610Z","structure_string":"B2 C1 N1\n1.0\n2.525461 0.000000 0.000000\n0.000000 2.525461 0.000000\n0.000000 0.000000 3.968271\nB C N\n2 1 1\ndirect\n0.000000 0.500000 0.730474 B\n0.500000 0.000000 0.269526 B\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 N\n","nsites":4,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.125595154250968,"density_atomic":0.15804375356682066,"volume":25.30944697101747,"volume_molar":3.810426305430571,"formula_full":"B2 C1 N1","formula_reduced":"B2CN","formula_anonymous":"ABC2","energy":-32.67849664,"energy_per_atom":-8.16962416,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.31749664,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023625,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.918000Z","spacegroup":115},{"id":"mp-1246452","created_at":"2022-09-04T14:48:02.447752Z","structure_string":"B24 C24 N56\n1.0\n8.213213 0.000000 0.000000\n0.000000 14.470777 0.000000\n0.000000 0.000000 17.852298\nB C N\n24 24 56\ndirect\n0.384347 0.631301 0.145883 B\n0.115653 0.368699 0.645883 B\n0.884347 0.868699 0.854117 B\n0.615653 0.131301 0.354117 B\n0.342884 0.650671 0.302950 B\n0.157116 0.349329 0.802950 B\n0.842884 0.849329 0.697050 B\n0.657116 0.150671 0.197050 B\n0.396214 0.508666 0.199051 B\n0.103786 0.491334 0.699051 B\n0.896214 0.991334 0.800949 B\n0.603786 0.008666 0.300949 B\n0.566276 0.595921 0.281626 B\n0.933724 0.404079 0.781626 B\n0.066276 0.904079 0.718374 B\n0.433724 0.095921 0.218374 B\n0.503305 0.639327 0.825834 B\n0.996695 0.360673 0.325834 B\n0.003305 0.860673 0.174166 B\n0.496695 0.139327 0.674166 B\n0.513276 0.615163 0.425756 B\n0.986724 0.384837 0.925756 B\n0.013276 0.884837 0.574244 B\n0.486724 0.115163 0.074244 B\n0.070391 0.923910 0.438090 C\n0.429609 0.076090 0.938090 C\n0.570391 0.576090 0.561910 C\n0.929609 0.423910 0.061910 C\n0.605477 0.990718 0.443445 C\n0.894523 0.009282 0.943445 C\n0.105477 0.509282 0.556555 C\n0.394523 0.490718 0.056555 C\n0.272172 0.404069 0.287375 C\n0.227828 0.595931 0.787375 C\n0.772172 0.095931 0.712625 C\n0.727828 0.904069 0.212625 C\n0.700256 0.739995 0.890136 C\n0.799744 0.260005 0.390136 C\n0.200256 0.760005 0.109864 C\n0.299744 0.239995 0.609864 C\n0.117435 0.751840 0.277803 C\n0.382565 0.248160 0.777803 C\n0.617435 0.748160 0.722197 C\n0.882565 0.251840 0.222197 C\n0.814523 0.505044 0.289836 C\n0.685477 0.494956 0.789836 C\n0.314523 0.994956 0.710164 C\n0.185477 0.005044 0.210164 C\n0.550449 0.603555 0.493988 N\n0.949551 0.396445 0.993988 N\n0.050449 0.896445 0.506012 N\n0.449551 0.103555 0.006012 N\n0.088547 0.949849 0.376036 N\n0.411453 0.050151 0.876036 N\n0.588547 0.550151 0.623964 N\n0.911453 0.449849 0.123964 N\n0.620445 0.951312 0.500291 N\n0.879555 0.048688 0.000291 N\n0.120445 0.548688 0.499709 N\n0.379555 0.451312 0.999709 N\n0.587496 0.035743 0.378755 N\n0.912504 0.964257 0.878755 N\n0.087496 0.464257 0.621245 N\n0.412504 0.535743 0.121245 N\n0.366609 0.426327 0.235729 N\n0.133391 0.573673 0.735729 N\n0.866609 0.073673 0.764271 N\n0.633391 0.926327 0.264271 N\n0.180276 0.378676 0.335402 N\n0.319724 0.621324 0.835402 N\n0.680276 0.121324 0.664598 N\n0.819724 0.878676 0.164598 N\n0.318193 0.706874 0.110515 N\n0.181807 0.293126 0.610514 N\n0.818193 0.793126 0.889486 N\n0.681807 0.206874 0.389485 N\n0.582687 0.690245 0.892465 N\n0.917313 0.309755 0.392465 N\n0.082687 0.809755 0.107535 N\n0.417313 0.190245 0.607535 N\n0.026746 0.800946 0.244367 N\n0.473254 0.199054 0.744367 N\n0.526746 0.699054 0.755633 N\n0.973254 0.300946 0.255633 N\n0.208763 0.703956 0.318228 N\n0.291237 0.296044 0.818228 N\n0.708763 0.796044 0.681772 N\n0.791237 0.203956 0.181772 N\n0.712701 0.558849 0.261251 N\n0.787299 0.441151 0.761251 N\n0.212701 0.941151 0.738749 N\n0.287299 0.058849 0.238749 N\n0.588224 0.546790 0.815257 N\n0.911776 0.453210 0.315257 N\n0.088224 0.953210 0.184743 N\n0.411776 0.046790 0.684743 N\n0.480981 0.623025 0.349950 N\n0.019019 0.376975 0.849950 N\n0.980981 0.876975 0.650050 N\n0.519019 0.123025 0.150050 N\n0.413812 0.610688 0.229377 N\n0.086188 0.389312 0.729377 N\n0.913812 0.889312 0.770623 N\n0.586188 0.110688 0.270623 N\n","nsites":104,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":1.0425227888766218,"density_atomic":0.04901559453360788,"volume":2121.7737128270815,"volume_molar":12.286173037992791,"formula_full":"B24 C24 N56","formula_reduced":"B3C3N7","formula_anonymous":"A3B3C7","energy":-878.2133841,"energy_per_atom":-8.4443594625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-857.9973841,"band_gap":3.5977,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008558,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.777000Z","spacegroup":19},{"id":"mp-989461","created_at":"2022-09-04T14:45:15.603771Z","structure_string":"B4 C6 N12\n1.0\n5.812026 -4.196710 0.000000\n5.812026 4.196710 0.000000\n2.781693 0.000000 6.607133\nB C N\n4 6 12\ndirect\n0.099452 0.099452 0.099452 B\n0.900548 0.900548 0.900548 B\n0.400548 0.400548 0.400548 B\n0.599452 0.599452 0.599452 B\n0.175361 0.750000 0.324639 C\n0.824639 0.250000 0.675361 C\n0.250000 0.675361 0.824639 C\n0.675361 0.824639 0.250000 C\n0.324639 0.175361 0.750000 C\n0.750000 0.324639 0.175361 C\n0.903367 0.070866 0.729544 N\n0.429134 0.596633 0.770456 N\n0.729544 0.903367 0.070866 N\n0.570866 0.403367 0.229544 N\n0.096633 0.929134 0.270456 N\n0.229544 0.570866 0.403367 N\n0.929134 0.270456 0.096633 N\n0.270456 0.096633 0.929134 N\n0.070866 0.729544 0.903367 N\n0.403367 0.229544 0.570866 N\n0.596633 0.770456 0.429134 N\n0.770456 0.429134 0.596633 N\n","nsites":22,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":1.4599968547320674,"density_atomic":0.06825636054895248,"volume":322.3142843108653,"volume_molar":8.822827223084957,"formula_full":"B4 C6 N12","formula_reduced":"B2(CN2)3","formula_anonymous":"A2B3C6","energy":-189.51744616,"energy_per_atom":-8.614429370909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.18544616,"band_gap":2.117,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.155000Z","spacegroup":167},{"id":"mp-989460","created_at":"2022-09-04T14:45:02.729161Z","structure_string":"B2 C3 N6\n1.0\n5.081865 -4.110883 0.000000\n5.081865 4.110883 0.000000\n1.756440 0.000000 6.296000\nB C N\n2 3 6\ndirect\n0.314408 0.314408 0.314408 B\n0.685592 0.685592 0.685592 B\n0.412486 0.587514 0.000000 C\n0.587514 0.000000 0.412486 C\n0.000000 0.412486 0.587514 C\n0.299038 0.496897 0.148887 N\n0.148887 0.299038 0.496897 N\n0.503103 0.700962 0.851113 N\n0.700962 0.851113 0.503103 N\n0.851113 0.503103 0.700962 N\n0.496897 0.148887 0.299038 N\n","nsites":11,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":0.8944344583628553,"density_atomic":0.041815734519939,"volume":263.05887308412264,"volume_molar":14.40161419890511,"formula_full":"B2 C3 N6","formula_reduced":"B2(CN2)3","formula_anonymous":"A2B3C6","energy":-94.85964569,"energy_per_atom":-8.623604153636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.69364569,"band_gap":2.7396000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.57e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.237000Z","spacegroup":155},{"id":"mp-989472","created_at":"2022-09-04T14:45:56.435898Z","structure_string":"B4 C6 N12\n1.0\n8.123618 -4.196780 0.000000\n8.123618 4.196780 0.000000\n5.955499 0.000000 6.938167\nB C N\n4 6 12\ndirect\n0.411241 0.411241 0.411241 B\n0.088759 0.088759 0.088759 B\n0.588759 0.588759 0.588759 B\n0.911241 0.911241 0.911241 B\n0.828050 0.671950 0.250000 C\n0.171950 0.328050 0.750000 C\n0.750000 0.171950 0.328050 C\n0.328050 0.750000 0.171950 C\n0.671950 0.250000 0.828050 C\n0.250000 0.828050 0.671950 C\n0.920801 0.081451 0.261424 N\n0.738576 0.079199 0.918549 N\n0.579199 0.238576 0.418549 N\n0.238576 0.418549 0.579199 N\n0.081451 0.261424 0.920801 N\n0.581451 0.420801 0.761424 N\n0.079199 0.918549 0.738576 N\n0.918549 0.738576 0.079199 N\n0.420801 0.761424 0.581451 N\n0.761424 0.581451 0.420801 N\n0.261424 0.920801 0.081451 N\n0.418549 0.579199 0.238576 N\n","nsites":22,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":0.9946975120898733,"density_atomic":0.04650313581313305,"volume":473.0863761188968,"volume_molar":12.949967039210451,"formula_full":"B4 C6 N12","formula_reduced":"B2(CN2)3","formula_anonymous":"A2B3C6","energy":-189.8786196,"energy_per_atom":-8.630846345454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.5466196,"band_gap":2.4836,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004398,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.789000Z","spacegroup":167},{"id":"mp-989473","created_at":"2022-09-04T14:48:26.687950Z","structure_string":"B4 C6 N12\n1.0\n5.889840 3.400501 0.000000\n-5.889840 3.400501 0.000000\n0.000000 0.000000 4.809035\nB C N\n4 6 12\ndirect\n0.899559 0.399559 0.600441 B\n0.100441 0.600441 0.399559 B\n0.600441 0.100441 0.899559 B\n0.399559 0.899559 0.100441 B\n0.670484 0.329516 0.250000 C\n0.329516 0.670484 0.750000 C\n0.170484 0.250000 0.170484 C\n0.750000 0.829516 0.329516 C\n0.250000 0.170484 0.670484 C\n0.829516 0.750000 0.829516 C\n0.275099 0.593078 0.569082 N\n0.224901 0.069082 0.093078 N\n0.930918 0.775099 0.406922 N\n0.775099 0.930918 0.906922 N\n0.724901 0.406922 0.430918 N\n0.593078 0.275099 0.069082 N\n0.906922 0.569082 0.775099 N\n0.069082 0.224901 0.593078 N\n0.093078 0.430918 0.224901 N\n0.430918 0.093078 0.724901 N\n0.569082 0.906922 0.275099 N\n0.406922 0.724901 0.930918 N\n","nsites":22,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":2.4428518847762977,"density_atomic":0.11420584809792524,"volume":192.63461868551784,"volume_molar":5.273058131695975,"formula_full":"B4 C6 N12","formula_reduced":"B2(CN2)3","formula_anonymous":"A2B3C6","energy":-124.14518815999998,"energy_per_atom":-5.642963098181817,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.81318816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025677,"is_theoretical":true,"updated_at":"2021-11-28T01:39:17.748000Z","spacegroup":15}]}