{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=12168","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=12166","results":[{"id":"mp-1079032","created_at":"2022-09-04T14:44:25.291855Z","structure_string":"Ag2 I1 O6\n1.0\n5.142595 -2.873628 0.000000\n5.142595 2.873628 0.000000\n3.536841 0.000000 4.711133\nAg I O\n2 1 6\ndirect\n0.209492 0.209492 0.209492 Ag\n0.790508 0.790508 0.790508 Ag\n0.000000 0.000000 0.000000 I\n0.074547 0.819133 0.347454 O\n0.347454 0.074547 0.819133 O\n0.819133 0.347454 0.074547 O\n0.925453 0.180867 0.652546 O\n0.652546 0.925453 0.180867 O\n0.180867 0.652546 0.925453 O\n","nsites":9,"nelements":3,"elements":["Ag","I","O"],"chemical_system":"Ag-I-O","density":5.2310201967361225,"density_atomic":0.06463597121747269,"volume":139.24135168819245,"volume_molar":9.317011327543986,"formula_full":"Ag2 I1 O6","formula_reduced":"Ag2IO6","formula_anonymous":"AB2C6","energy":-40.44874226,"energy_per_atom":-4.494304695555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.32674226,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9805549,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.205000Z","spacegroup":148},{"id":"mp-1183027","created_at":"2022-09-04T14:43:56.143093Z","structure_string":"Ag2 I1 O6\n1.0\n6.647005 3.522727 5.529332\n-1.530362 3.095557 1.967366\n-4.461883 -7.007139 0.060604\nAg I O\n2 1 6\ndirect\n0.653520 0.664685 0.029295 Ag\n0.346480 0.335315 0.970705 Ag\n0.000000 0.000000 0.000000 I\n0.549274 0.854814 0.496618 O\n0.623866 0.217236 0.062303 O\n0.928021 0.539668 0.123028 O\n0.450726 0.145186 0.503382 O\n0.376134 0.782764 0.937697 O\n0.071979 0.460332 0.876972 O\n","nsites":9,"nelements":3,"elements":["Ag","I","O"],"chemical_system":"Ag-I-O","density":3.6796163978794865,"density_atomic":0.045466385263256255,"volume":197.94843922358982,"volume_molar":13.24525960251959,"formula_full":"Ag2 I1 O6","formula_reduced":"Ag2IO6","formula_anonymous":"AB2C6","energy":-36.98841715,"energy_per_atom":-4.109824127777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.022417149999995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8336167,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.961000Z","spacegroup":2},{"id":"mp-1203252","created_at":"2022-09-04T14:43:58.669022Z","structure_string":"Ag8 I4 O20\n1.0\n5.994747 0.000000 0.000000\n0.000000 8.027549 0.000000\n-5.003221 0.000000 9.670109\nAg I O\n8 4 20\ndirect\n0.458751 0.137598 0.856669 Ag\n0.458751 0.362402 0.356669 Ag\n0.541249 0.862402 0.143331 Ag\n0.541249 0.637598 0.643331 Ag\n0.259341 0.587512 0.830046 Ag\n0.259341 0.912488 0.330046 Ag\n0.740659 0.412488 0.169954 Ag\n0.740659 0.087512 0.669954 Ag\n0.878524 0.814780 0.961903 I\n0.878524 0.685220 0.461903 I\n0.121476 0.185220 0.038097 I\n0.121476 0.314780 0.538097 I\n0.154755 0.734807 0.113691 O\n0.154755 0.765193 0.613691 O\n0.845245 0.265193 0.886309 O\n0.845245 0.234807 0.386309 O\n0.908653 0.659055 0.840695 O\n0.908653 0.840945 0.340695 O\n0.091347 0.340945 0.159305 O\n0.091347 0.159055 0.659305 O\n0.643300 0.702806 0.005159 O\n0.643300 0.797194 0.505159 O\n0.356700 0.297194 0.994841 O\n0.356700 0.202806 0.494841 O\n0.610688 0.915552 0.800561 O\n0.610688 0.584448 0.300561 O\n0.389312 0.084448 0.199439 O\n0.389312 0.415552 0.699439 O\n0.871498 0.020193 0.068266 O\n0.871498 0.479807 0.568266 O\n0.128502 0.979807 0.931734 O\n0.128502 0.520193 0.431734 O\n","nsites":32,"nelements":3,"elements":["Ag","I","O"],"chemical_system":"Ag-I-O","density":6.032430181169679,"density_atomic":0.06876457841022214,"volume":465.35586692760216,"volume_molar":8.757620419155778,"formula_full":"Ag8 I4 O20","formula_reduced":"Ag2IO5","formula_anonymous":"AB2C5","energy":-144.47845962,"energy_per_atom":-4.514951863125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.73845962,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.5038691,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.428000Z","spacegroup":14},{"id":"mp-557396","created_at":"2022-09-04T14:44:28.906044Z","structure_string":"Ag16 I8 N8 O24\n1.0\n7.347947 0.000000 0.000000\n0.000000 7.937996 0.000000\n0.000000 0.000000 17.579693\nAg I N O\n16 8 8 24\ndirect\n0.833001 0.014211 0.693865 Ag\n0.166999 0.514211 0.806135 Ag\n0.747114 0.528176 0.058678 Ag\n0.252886 0.028176 0.441322 Ag\n0.247114 0.971824 0.941322 Ag\n0.215238 0.969847 0.685260 Ag\n0.784762 0.469847 0.814740 Ag\n0.666999 0.985789 0.193865 Ag\n0.832818 0.968849 0.941755 Ag\n0.667182 0.031151 0.441755 Ag\n0.752886 0.471824 0.558678 Ag\n0.284762 0.030153 0.185260 Ag\n0.167182 0.468849 0.558245 Ag\n0.333001 0.485789 0.306135 Ag\n0.715238 0.530153 0.314740 Ag\n0.332818 0.531151 0.058245 Ag\n0.546114 0.852329 0.048873 I\n0.026586 0.157590 0.820920 I\n0.046114 0.647671 0.951127 I\n0.953886 0.147671 0.548873 I\n0.473414 0.842410 0.320920 I\n0.526586 0.342410 0.179080 I\n0.973414 0.657590 0.679080 I\n0.453886 0.352329 0.451127 I\n0.000527 0.711081 0.429570 N\n0.975629 0.146961 0.294823 N\n0.024371 0.646961 0.205177 N\n0.500527 0.788919 0.570430 N\n0.499473 0.288919 0.929570 N\n0.524371 0.853039 0.794823 N\n0.475629 0.353039 0.705177 N\n0.999473 0.211081 0.070430 N\n0.916527 0.570362 0.428702 O\n0.083473 0.070362 0.071298 O\n0.953435 0.830445 0.386921 O\n0.546565 0.169555 0.886921 O\n0.364520 0.270238 0.974968 O\n0.868577 0.685115 0.179768 O\n0.416527 0.929638 0.571298 O\n0.168649 0.695799 0.173496 O\n0.331351 0.304201 0.673496 O\n0.533040 0.945735 0.734509 O\n0.635480 0.770238 0.525032 O\n0.864520 0.229762 0.025032 O\n0.831351 0.195799 0.326504 O\n0.131423 0.185115 0.320232 O\n0.631423 0.314885 0.679768 O\n0.033040 0.554265 0.265491 O\n0.135480 0.729762 0.474968 O\n0.046565 0.330445 0.113079 O\n0.368577 0.814885 0.820232 O\n0.466960 0.445735 0.765491 O\n0.668649 0.804201 0.826504 O\n0.453435 0.669555 0.613079 O\n0.583473 0.429638 0.928702 O\n0.966960 0.054265 0.234509 O\n","nsites":56,"nelements":4,"elements":["Ag","I","N","O"],"chemical_system":"Ag-I-N-O","density":5.242348781475822,"density_atomic":0.05461347983491906,"volume":1025.3878743722612,"volume_molar":11.02683948761956,"formula_full":"Ag16 I8 N8 O24","formula_reduced":"Ag2INO3","formula_anonymous":"ABC2D3","energy":-277.75816931,"energy_per_atom":-4.959967309107143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.23816931,"band_gap":1.4835,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000824,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.051000Z","spacegroup":19},{"id":"mp-556866","created_at":"2022-09-04T14:41:49.511473Z","structure_string":"Ag4 Hg2 S2 I4\n1.0\n3.841220 -7.061867 0.000000\n3.841220 7.061867 0.000000\n0.000000 0.000000 7.317679\nAg Hg S I\n4 2 2 4\ndirect\n0.505795 0.182497 0.229782 Ag\n0.182497 0.505795 0.229782 Ag\n0.817503 0.494205 0.729782 Ag\n0.494205 0.817503 0.729782 Ag\n0.024437 0.024437 0.585806 Hg\n0.975563 0.975563 0.085806 Hg\n0.202932 0.202932 0.314873 S\n0.797068 0.797068 0.814873 S\n0.456450 0.138012 0.832778 I\n0.138012 0.456450 0.832778 I\n0.543550 0.861988 0.332778 I\n0.861988 0.543550 0.332778 I\n","nsites":12,"nelements":4,"elements":["Ag","Hg","S","I"],"chemical_system":"Ag-Hg-I-S","density":5.874190989845033,"density_atomic":0.030226591748043385,"volume":397.00142510366817,"volume_molar":19.923320532457396,"formula_full":"Ag4 Hg2 S2 I4","formula_reduced":"Ag2HgSI2","formula_anonymous":"ABC2D2","energy":-31.66119815,"energy_per_atom":-2.638433179166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.13919815,"band_gap":1.2212000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007698,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.332000Z","spacegroup":36},{"id":"mp-558763","created_at":"2022-09-04T14:40:56.211356Z","structure_string":"Ag16 Hg8 Se16 O48\n1.0\n7.057096 0.000000 0.000000\n0.000000 11.410400 0.000000\n0.000000 0.000000 17.260068\nAg Hg Se O\n16 8 16 48\ndirect\n0.884250 0.905672 0.242423 Ag\n0.352142 0.119408 0.955560 Ag\n0.615750 0.094328 0.742423 Ag\n0.852142 0.119408 0.544440 Ag\n0.384250 0.594328 0.757577 Ag\n0.852142 0.380592 0.044440 Ag\n0.884250 0.594328 0.742423 Ag\n0.147858 0.619408 0.955560 Ag\n0.115750 0.405672 0.257577 Ag\n0.384250 0.905672 0.257577 Ag\n0.115750 0.094328 0.757577 Ag\n0.615750 0.405672 0.242423 Ag\n0.147858 0.880592 0.455560 Ag\n0.352142 0.380592 0.455560 Ag\n0.647858 0.619408 0.544440 Ag\n0.647858 0.880592 0.044440 Ag\n0.124644 0.161345 0.149244 Hg\n0.875356 0.838655 0.850756 Hg\n0.875356 0.661345 0.350756 Hg\n0.124644 0.338655 0.649244 Hg\n0.624644 0.161345 0.350756 Hg\n0.624644 0.338655 0.850756 Hg\n0.375356 0.661345 0.149244 Hg\n0.375356 0.838655 0.649244 Hg\n0.163323 0.367783 0.854993 Se\n0.834709 0.381829 0.431397 Se\n0.663323 0.367783 0.645007 Se\n0.663323 0.132217 0.145007 Se\n0.165291 0.618171 0.568603 Se\n0.336677 0.632217 0.354993 Se\n0.336677 0.867783 0.854993 Se\n0.334709 0.381829 0.068603 Se\n0.834709 0.118171 0.931397 Se\n0.665291 0.618171 0.931397 Se\n0.836677 0.632217 0.145007 Se\n0.334709 0.118171 0.568603 Se\n0.836677 0.867783 0.645007 Se\n0.665291 0.881829 0.431397 Se\n0.163323 0.132217 0.354993 Se\n0.165291 0.881829 0.068603 Se\n0.834242 0.780669 0.465190 O\n0.171626 0.538870 0.395909 O\n0.141428 0.062897 0.263523 O\n0.308585 0.248016 0.836521 O\n0.141428 0.437103 0.763523 O\n0.358572 0.937103 0.763523 O\n0.303601 0.006339 0.080050 O\n0.665758 0.219331 0.965190 O\n0.334242 0.719331 0.534810 O\n0.150419 0.672144 0.663400 O\n0.303601 0.493661 0.580050 O\n0.308585 0.251984 0.336521 O\n0.849581 0.172144 0.836600 O\n0.849581 0.327856 0.336600 O\n0.349581 0.327856 0.163400 O\n0.858572 0.562897 0.236477 O\n0.691415 0.751984 0.163479 O\n0.165758 0.219331 0.534810 O\n0.650419 0.672144 0.836600 O\n0.196399 0.993661 0.580050 O\n0.150419 0.827856 0.163400 O\n0.803601 0.493661 0.919950 O\n0.665758 0.280669 0.465190 O\n0.165758 0.280669 0.034810 O\n0.858572 0.937103 0.736477 O\n0.191415 0.751984 0.336521 O\n0.808585 0.248016 0.663479 O\n0.358572 0.562897 0.263523 O\n0.671626 0.961130 0.604091 O\n0.696399 0.506339 0.419950 O\n0.171626 0.961130 0.895909 O\n0.191415 0.748016 0.836521 O\n0.808585 0.251984 0.163479 O\n0.828374 0.461130 0.604091 O\n0.334242 0.780669 0.034810 O\n0.828374 0.038870 0.104091 O\n0.691415 0.748016 0.663479 O\n0.328374 0.038870 0.395909 O\n0.834242 0.719331 0.965190 O\n0.803601 0.006339 0.419950 O\n0.696399 0.993661 0.919950 O\n0.641428 0.437103 0.736477 O\n0.641428 0.062897 0.236477 O\n0.349581 0.172144 0.663400 O\n0.196399 0.506339 0.080050 O\n0.650419 0.827856 0.336600 O\n0.328374 0.461130 0.895909 O\n0.671626 0.538870 0.104091 O\n","nsites":88,"nelements":4,"elements":["Ag","Hg","Se","O"],"chemical_system":"Ag-Hg-O-Se","density":6.406219939683736,"density_atomic":0.06331597154432532,"volume":1389.8546899559813,"volume_molar":9.511250657796678,"formula_full":"Ag16 Hg8 Se16 O48","formula_reduced":"Ag2Hg(SeO3)2","formula_anonymous":"AB2C2D6","energy":-421.83945778,"energy_per_atom":-4.793630202045454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-388.86345778,"band_gap":1.8132,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.508000Z","spacegroup":61},{"id":"mp-9635","created_at":"2022-09-04T14:46:02.007040Z","structure_string":"Ag4 Hg2 S4\n1.0\n7.980147 0.000000 0.000000\n0.000000 4.198112 0.000000\n0.000000 2.360354 6.401780\nAg Hg S\n4 2 4\ndirect\n0.150099 0.380431 0.402346 Ag\n0.650099 0.619569 0.097654 Ag\n0.349901 0.380431 0.902346 Ag\n0.849901 0.619569 0.597654 Ag\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.875223 0.189923 0.265293 S\n0.375223 0.810077 0.234707 S\n0.124777 0.810077 0.734707 S\n0.624777 0.189923 0.765293 S\n","nsites":10,"nelements":3,"elements":["Ag","Hg","S"],"chemical_system":"Ag-Hg-S","density":7.439905485131735,"density_atomic":0.04662666382219359,"volume":214.4695584083404,"volume_molar":12.915658694700674,"formula_full":"Ag4 Hg2 S4","formula_reduced":"Ag2HgS2","formula_anonymous":"AB2C2","energy":-31.039357010000003,"energy_per_atom":-3.103935701,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.027357010000003,"band_gap":0.4190999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036109,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.577000Z","spacegroup":14},{"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},{"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-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-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-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}]}