{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=28","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=26","results":[{"id":"mp-759790","created_at":"2022-09-04T14:40:27.268309Z","structure_string":"Ag4 Hg10\n1.0\n10.263058 0.000000 0.000000\n0.000000 10.263058 0.000000\n0.000000 0.000000 3.090419\nAg Hg\n4 10\ndirect\n0.680868 0.180868 0.500000 Ag\n0.180868 0.319132 0.500000 Ag\n0.819132 0.680868 0.500000 Ag\n0.319132 0.819132 0.500000 Ag\n0.500000 0.000000 0.000000 Hg\n0.201301 0.062914 0.000000 Hg\n0.937086 0.201301 0.000000 Hg\n0.437086 0.298699 0.000000 Hg\n0.701301 0.437086 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.298699 0.562914 0.000000 Hg\n0.562914 0.701301 0.000000 Hg\n0.062914 0.798699 0.000000 Hg\n0.798699 0.937086 0.000000 Hg\n","nsites":14,"nelements":2,"elements":["Ag","Hg"],"chemical_system":"Ag-Hg","density":12.433692600006895,"density_atomic":0.04300877807513201,"volume":325.51494431074997,"volume_molar":14.00212010087784,"formula_full":"Ag4 Hg10","formula_reduced":"Ag2Hg5","formula_anonymous":"A2B5","energy":-13.24999215,"energy_per_atom":-0.9464280107142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.24999215,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0093283,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.817000Z","spacegroup":127},{"id":"mp-23592","created_at":"2022-09-04T14:40:32.274502Z","structure_string":"Ag8 Hg28 As16 I24\n1.0\n13.581816 0.000000 0.000000\n0.000000 13.581816 0.000000\n0.000000 0.000000 13.581816\nAg Hg As I\n8 28 16 24\ndirect\n0.220630 0.220630 0.220630 Ag\n0.279370 0.779370 0.720630 Ag\n0.720630 0.279370 0.779370 Ag\n0.779370 0.720630 0.279370 Ag\n0.779370 0.779370 0.779370 Ag\n0.720630 0.220630 0.279370 Ag\n0.279370 0.720630 0.220630 Ag\n0.220630 0.279370 0.720630 Ag\n0.210542 0.419016 0.447392 Hg\n0.447392 0.210542 0.419016 Hg\n0.419016 0.447392 0.210542 Hg\n0.080984 0.552608 0.710542 Hg\n0.947392 0.289458 0.580984 Hg\n0.580984 0.947392 0.289458 Hg\n0.052608 0.789458 0.919016 Hg\n0.552608 0.710542 0.080984 Hg\n0.919016 0.052608 0.789458 Hg\n0.710542 0.080984 0.552608 Hg\n0.789458 0.919016 0.052608 Hg\n0.289458 0.580984 0.947392 Hg\n0.789458 0.580984 0.552608 Hg\n0.552608 0.789458 0.580984 Hg\n0.580984 0.552608 0.789458 Hg\n0.919016 0.447392 0.289458 Hg\n0.052608 0.710542 0.419016 Hg\n0.419016 0.052608 0.710542 Hg\n0.947392 0.210542 0.080984 Hg\n0.447392 0.289458 0.919016 Hg\n0.080984 0.947392 0.210542 Hg\n0.289458 0.919016 0.447392 Hg\n0.210542 0.080984 0.947392 Hg\n0.710542 0.419016 0.052608 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 Hg\n0.052350 0.052350 0.052350 As\n0.447650 0.947650 0.552350 As\n0.552350 0.447650 0.947650 As\n0.947650 0.552350 0.447650 As\n0.947650 0.947650 0.947650 As\n0.552350 0.052350 0.447650 As\n0.447650 0.552350 0.052350 As\n0.052350 0.447650 0.552350 As\n0.390372 0.390372 0.390372 As\n0.109628 0.609628 0.890372 As\n0.890372 0.109628 0.609628 As\n0.609628 0.890372 0.109628 As\n0.609628 0.609628 0.609628 As\n0.890372 0.390372 0.109628 As\n0.109628 0.890372 0.390372 As\n0.390372 0.109628 0.890372 As\n0.164009 0.557425 0.253827 I\n0.253827 0.164009 0.557425 I\n0.557425 0.253827 0.164009 I\n0.942575 0.746173 0.664009 I\n0.753827 0.335991 0.442575 I\n0.442575 0.753827 0.335991 I\n0.246173 0.835991 0.057425 I\n0.746173 0.664009 0.942575 I\n0.057425 0.246173 0.835991 I\n0.664009 0.942575 0.746173 I\n0.835991 0.057425 0.246173 I\n0.335991 0.442575 0.753827 I\n0.835991 0.442575 0.746173 I\n0.746173 0.835991 0.442575 I\n0.442575 0.746173 0.835991 I\n0.057425 0.253827 0.335991 I\n0.246173 0.664009 0.557425 I\n0.557425 0.246173 0.664009 I\n0.753827 0.164009 0.942575 I\n0.253827 0.335991 0.057425 I\n0.942575 0.753827 0.164009 I\n0.335991 0.057425 0.253827 I\n0.164009 0.942575 0.753827 I\n0.664009 0.557425 0.246173 I\n","nsites":76,"nelements":4,"elements":["Ag","Hg","As","I"],"chemical_system":"Ag-As-Hg-I","density":7.107699751541366,"density_atomic":0.0303347251692063,"volume":2505.3795469078423,"volume_molar":19.852300379873746,"formula_full":"Ag8 Hg28 As16 I24","formula_reduced":"Ag2Hg7(As2I3)2","formula_anonymous":"A2B4C6D7","energy":-164.29621397,"energy_per_atom":-2.161792289078947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.20021397,"band_gap":0.6403999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002331,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.717000Z","spacegroup":205},{"id":"mp-571425","created_at":"2022-09-04T14:47:10.769011Z","structure_string":"Ag2 Hg7 P8 Br6\n1.0\n5.555512 6.559642 0.000000\n-5.555512 6.559642 0.000000\n0.000000 1.646565 8.111740\nAg Hg P Br\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.367021 0.732828 0.235348 Hg\n0.273598 0.273598 0.133293 Hg\n0.732828 0.367021 0.235348 Hg\n0.632979 0.267172 0.764652 Hg\n0.000000 0.000000 0.000000 Hg\n0.726402 0.726402 0.866707 Hg\n0.267172 0.632979 0.764652 Hg\n0.075714 0.762602 0.575216 P\n0.913439 0.913439 0.744096 P\n0.562618 0.562618 0.067792 P\n0.924286 0.237398 0.424784 P\n0.086561 0.086561 0.255904 P\n0.762602 0.075714 0.575216 P\n0.237398 0.924286 0.424784 P\n0.437382 0.437382 0.932208 P\n0.049860 0.638154 0.146820 Br\n0.354716 0.354716 0.456952 Br\n0.645284 0.645284 0.543048 Br\n0.638154 0.049860 0.146820 Br\n0.361846 0.950140 0.853180 Br\n0.950140 0.361846 0.853180 Br\n","nsites":23,"nelements":4,"elements":["Ag","Hg","P","Br"],"chemical_system":"Ag-Br-Hg-P","density":6.592176645910806,"density_atomic":0.038902686227856996,"volume":591.2188136646055,"volume_molar":15.480012677602025,"formula_full":"Ag2 Hg7 P8 Br6","formula_reduced":"Ag2Hg7(P4Br3)2","formula_anonymous":"A2B6C7D8","energy":-69.20244878999999,"energy_per_atom":-3.0088021213043477,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.99844879,"band_gap":0.7716000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003742,"is_theoretical":false,"updated_at":"2021-11-28T01:37:53.545000Z","spacegroup":12},{"id":"mp-672339","created_at":"2022-09-04T14:46:54.391862Z","structure_string":"Ag2 Hg7 P8 I6\n1.0\n5.615503 6.718143 0.000000\n-5.615503 6.718143 0.000000\n0.000000 1.874693 8.325103\nAg Hg P I\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.364502 0.729593 0.234506 Hg\n0.727963 0.727963 0.867762 Hg\n0.635498 0.270407 0.765494 Hg\n0.272037 0.272037 0.132238 Hg\n0.270407 0.635498 0.765494 Hg\n0.000000 0.000000 0.000000 Hg\n0.729593 0.364502 0.234506 Hg\n0.236402 0.921504 0.421023 P\n0.438412 0.438412 0.934327 P\n0.561588 0.561588 0.065673 P\n0.085273 0.085273 0.257768 P\n0.078496 0.763598 0.578977 P\n0.921504 0.236402 0.421023 P\n0.763598 0.078496 0.578977 P\n0.914727 0.914727 0.742232 P\n0.962415 0.359922 0.851739 I\n0.646234 0.646234 0.535070 I\n0.037585 0.640078 0.148261 I\n0.359922 0.962415 0.851739 I\n0.640078 0.037585 0.148261 I\n0.353766 0.353766 0.464930 I\n","nsites":23,"nelements":4,"elements":["Ag","Hg","P","I"],"chemical_system":"Ag-Hg-I-P","density":6.950178012052023,"density_atomic":0.03661595093901025,"volume":628.1415451509151,"volume_molar":16.446768704794376,"formula_full":"Ag2 Hg7 P8 I6","formula_reduced":"Ag2Hg7(P4I3)2","formula_anonymous":"A2B6C7D8","energy":-65.55432918,"energy_per_atom":-2.850188225217391,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.28032918,"band_gap":0.6607999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046204,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.778000Z","spacegroup":12},{"id":"mp-1095946","created_at":"2022-09-04T14:41:19.489468Z","structure_string":"Ag2 Hg1 Au1\n1.0\n-5.347192 5.751045 8.130341\n5.347192 -5.751045 8.130341\n5.347192 5.751045 -8.130341\nAg Hg Au\n2 1 1\ndirect\n0.000000 0.246712 0.246712 Ag\n0.000000 0.753288 0.753288 Ag\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Ag","Hg","Au"],"chemical_system":"Ag-Au-Hg","density":1.0183001005818622,"density_atomic":0.0039996196621946535,"volume":1000.0950934932492,"volume_molar":150.56783566004268,"formula_full":"Ag2 Hg1 Au1","formula_reduced":"Ag2HgAu","formula_anonymous":"ABC2","energy":-5.44299483,"energy_per_atom":-1.3607487075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.44299483,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.39e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.117000Z","spacegroup":71},{"id":"mp-1229141","created_at":"2022-09-04T14:40:00.059388Z","structure_string":"Ag4 Hg2 Ge2 S8\n1.0\n-0.006798 0.000000 -6.712016\n0.000000 -7.021165 0.000000\n-8.154697 0.000000 -0.008302\nAg Hg Ge S\n4 2 2 8\ndirect\n0.973209 0.188216 0.245304 Ag\n0.473209 0.811784 0.745304 Ag\n0.954776 0.652710 0.499948 Ag\n0.454776 0.347290 0.999948 Ag\n0.971575 0.188752 0.755133 Hg\n0.471575 0.811248 0.255133 Hg\n0.457467 0.317702 0.499674 Ge\n0.957467 0.682298 0.999674 Ge\n0.337670 0.618542 0.503119 S\n0.837670 0.381458 0.003119 S\n0.350700 0.169039 0.269801 S\n0.354823 0.166410 0.730186 S\n0.854823 0.833590 0.230186 S\n0.850700 0.830961 0.769801 S\n0.793780 0.321484 0.496835 S\n0.293780 0.678516 0.996835 S\n","nsites":16,"nelements":4,"elements":["Ag","Hg","Ge","S"],"chemical_system":"Ag-Ge-Hg-S","density":5.334012673413459,"density_atomic":0.04163422063090043,"volume":384.2992556974872,"volume_molar":14.464401323584374,"formula_full":"Ag4 Hg2 Ge2 S8","formula_reduced":"Ag2HgGeS4","formula_anonymous":"ABC2D4","energy":-61.76027702,"energy_per_atom":-3.86001731375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.73627702,"band_gap":0.4441000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000337,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.133000Z","spacegroup":7},{"id":"mp-23485","created_at":"2022-09-04T14:40:36.729071Z","structure_string":"Ag2 Hg1 I4\n1.0\n-3.268047 3.268047 6.581435\n3.268047 -3.268047 6.581435\n3.268047 3.268047 -6.581435\nAg Hg I\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Hg\n0.629623 0.129983 0.019582 I\n0.870017 0.889599 0.499640 I\n0.110401 0.610041 0.980418 I\n0.389959 0.370377 0.500360 I\n","nsites":7,"nelements":3,"elements":["Ag","Hg","I"],"chemical_system":"Ag-Hg-I","density":5.4567958127675285,"density_atomic":0.024896647172375642,"volume":281.16235698463566,"volume_molar":24.188561288212075,"formula_full":"Ag2 Hg1 I4","formula_reduced":"Ag2HgI4","formula_anonymous":"AB2C4","energy":-15.67813568,"energy_per_atom":-2.2397336685714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.16213568,"band_gap":1.2219000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007444,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.303000Z","spacegroup":82},{"id":"mp-675242","created_at":"2022-09-04T14:39:07.294083Z","structure_string":"Ag6 Hg3 I12\n1.0\n2.599666 3.862904 0.000000\n-2.599666 3.862904 0.000000\n0.000000 1.960581 50.270323\nAg Hg I\n6 3 12\ndirect\n0.746398 0.746398 0.251005 Ag\n0.344560 0.344560 0.326623 Ag\n0.936716 0.936716 0.400651 Ag\n0.244311 0.244311 0.767483 Ag\n0.427643 0.427643 0.914939 Ag\n0.837320 0.837320 0.840993 Ag\n0.558218 0.558218 0.479668 Hg\n0.073151 0.073151 0.578613 Hg\n0.616800 0.616800 0.679739 Hg\n0.687311 0.687311 0.055406 I\n0.181788 0.181788 0.076395 I\n0.801366 0.801366 0.197394 I\n0.390497 0.390497 0.271005 I\n0.982640 0.982640 0.344937 I\n0.573076 0.573076 0.418930 I\n0.146464 0.146464 0.497036 I\n0.745369 0.745369 0.629253 I\n0.288970 0.288970 0.708206 I\n0.880382 0.880382 0.780572 I\n0.472257 0.472257 0.853924 I\n0.064073 0.064073 0.927227 I\n","nsites":21,"nelements":3,"elements":["Ag","Hg","I"],"chemical_system":"Ag-Hg-I","density":4.558720777962089,"density_atomic":0.020799177147282265,"volume":1009.6553268091174,"volume_molar":28.95374522442051,"formula_full":"Ag6 Hg3 I12","formula_reduced":"Ag2HgI4","formula_anonymous":"AB2C4","energy":-43.35620766,"energy_per_atom":-2.0645813171428573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.80820766,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7142419,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.108000Z","spacegroup":8},{"id":"mp-37163","created_at":"2022-09-04T14:41:26.681865Z","structure_string":"Ag2 Hg1 I4\n1.0\n4.714360 0.000000 0.000000\n2.357180 4.082756 0.000000\n37.714882 21.774697 63.255235\nAg Hg I\n2 1 4\ndirect\n0.273920 0.273920 0.511140 Ag\n0.272482 0.272482 0.823910 Ag\n0.222766 0.222766 0.895731 Hg\n0.975732 0.975732 0.504550 I\n0.994521 0.994521 0.813527 I\n0.011311 0.011311 0.872879 I\n0.999269 0.999269 0.937637 I\n","nsites":7,"nelements":3,"elements":["Ag","Hg","I"],"chemical_system":"Ag-Hg-I","density":1.2601499778830094,"density_atomic":0.005749438032888116,"volume":1217.5102957816712,"volume_molar":104.7431196849494,"formula_full":"Ag2 Hg1 I4","formula_reduced":"Ag2HgI4","formula_anonymous":"AB2C4","energy":-14.80288216,"energy_per_atom":-2.1146974514285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.28688216,"band_gap":0.0871999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006711,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.709000Z","spacegroup":160},{"id":"mp-570256","created_at":"2022-09-04T14:39:48.110298Z","structure_string":"Ag2 Hg1 I4\n1.0\n6.566390 0.000000 0.000000\n0.000000 6.566390 0.000000\n0.000000 0.000000 6.500072\nAg Hg I\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n0.739365 0.739365 0.240397 I\n0.739365 0.260635 0.759603 I\n0.260635 0.260635 0.240397 I\n0.260635 0.739365 0.759603 I\n","nsites":7,"nelements":3,"elements":["Ag","Hg","I"],"chemical_system":"Ag-Hg-I","density":5.474234087269418,"density_atomic":0.024976209351805695,"volume":280.2667090670396,"volume_molar":24.111508176338294,"formula_full":"Ag2 Hg1 I4","formula_reduced":"Ag2HgI4","formula_anonymous":"AB2C4","energy":-15.66663662,"energy_per_atom":-2.2380909457142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.15063662,"band_gap":1.1003999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007451,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.934000Z","spacegroup":111},{"id":"mp-1229122","created_at":"2022-09-04T14:41:22.165888Z","structure_string":"Ag2 Hg1 I4\n1.0\n-3.312139 3.312139 6.577737\n3.312139 -3.312139 6.577737\n3.312139 3.312139 -6.577737\nAg Hg I\n2 1 4\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Hg\n0.373604 0.876049 0.000000 I\n0.123951 0.123951 0.497555 I\n0.876049 0.373604 0.000000 I\n0.626396 0.626396 0.502445 I\n","nsites":7,"nelements":3,"elements":["Ag","Hg","I"],"chemical_system":"Ag-Hg-I","density":5.315465129379419,"density_atomic":0.024251825507853816,"volume":288.6380655234836,"volume_molar":24.83170084680745,"formula_full":"Ag2 Hg1 I4","formula_reduced":"Ag2HgI4","formula_anonymous":"AB2C4","energy":-15.67638289,"energy_per_atom":-2.23948327,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.16038289,"band_gap":1.2763999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008033,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.886000Z","spacegroup":121},{"id":"mp-29816","created_at":"2022-09-04T14:48:03.422482Z","structure_string":"Ag8 Hg4 O8\n1.0\n6.388982 0.000000 0.000000\n0.000000 6.388982 0.000000\n0.000000 0.000000 8.476899\nAg Hg O\n8 4 8\ndirect\n0.498645 0.744819 0.627699 Ag\n0.998645 0.755181 0.622301 Ag\n0.244819 0.001355 0.877699 Ag\n0.755181 0.998645 0.377699 Ag\n0.255181 0.501355 0.872301 Ag\n0.001355 0.244819 0.122301 Ag\n0.501355 0.255181 0.127699 Ag\n0.744819 0.498645 0.372301 Ag\n0.217843 0.217843 0.500000 Hg\n0.282157 0.717843 0.250000 Hg\n0.717843 0.282157 0.750000 Hg\n0.782157 0.782157 0.000000 Hg\n0.247776 0.626896 0.485426 O\n0.752224 0.373104 0.985426 O\n0.626896 0.247776 0.514574 O\n0.126896 0.252224 0.735426 O\n0.747776 0.873104 0.764574 O\n0.373104 0.752224 0.014574 O\n0.873104 0.747776 0.235426 O\n0.252224 0.126896 0.264574 O\n","nsites":20,"nelements":3,"elements":["Ag","Hg","O"],"chemical_system":"Ag-Hg-O","density":8.606011099164833,"density_atomic":0.05780024214476802,"volume":346.01931164764795,"volume_molar":10.418885002102217,"formula_full":"Ag8 Hg4 O8","formula_reduced":"Ag2HgO2","formula_anonymous":"AB2C2","energy":-72.65282191,"energy_per_atom":-3.6326410955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.15682191,"band_gap":0.4102999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.338000Z","spacegroup":96}]}