{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=64","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=62","results":[{"id":"mp-26336","created_at":"2022-09-04T14:44:03.294249Z","structure_string":"Fe2 P8 O24\n1.0\n6.589514 4.807252 0.000000\n-6.589514 4.807252 0.000000\n0.000000 1.742884 7.740399\nFe P O\n2 8 24\ndirect\n0.866680 0.133320 0.750000 Fe\n0.133320 0.866680 0.250000 Fe\n0.571840 0.257371 0.619812 P\n0.742629 0.428160 0.880188 P\n0.044067 0.209660 0.325734 P\n0.257371 0.571840 0.119812 P\n0.428160 0.742629 0.380188 P\n0.955933 0.790340 0.674266 P\n0.790340 0.955933 0.174266 P\n0.209660 0.044067 0.825734 P\n0.662918 0.382606 0.063003 O\n0.868815 0.131185 0.250000 O\n0.131185 0.868815 0.750000 O\n0.116397 0.655548 0.184178 O\n0.007990 0.269999 0.491920 O\n0.154889 0.365057 0.173355 O\n0.344452 0.883603 0.315822 O\n0.075542 0.141671 0.831254 O\n0.141671 0.075542 0.331254 O\n0.395408 0.604592 0.250000 O\n0.337082 0.617394 0.936997 O\n0.382606 0.662918 0.563003 O\n0.269999 0.007990 0.991920 O\n0.634943 0.845111 0.326645 O\n0.365057 0.154889 0.673355 O\n0.992010 0.730001 0.508080 O\n0.617394 0.337082 0.436997 O\n0.730001 0.992010 0.008080 O\n0.604592 0.395408 0.750000 O\n0.858329 0.924458 0.668746 O\n0.924458 0.858329 0.168746 O\n0.655548 0.116397 0.684178 O\n0.845111 0.634943 0.826645 O\n0.883603 0.344452 0.815822 O\n","nsites":34,"nelements":3,"elements":["Fe","P","O"],"chemical_system":"Fe-O-P","density":2.5174822347200942,"density_atomic":0.06933225081036967,"volume":490.3922720321492,"volume_molar":8.6859155582171,"formula_full":"Fe2 P8 O24","formula_reduced":"Fe(PO3)4","formula_anonymous":"AB4C12","energy":-257.32804904,"energy_per_atom":-7.568472030588235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.32804904,"band_gap":0.1547,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0008388,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.059000Z","spacegroup":15},{"id":"mp-1184573","created_at":"2022-09-04T14:44:03.358710Z","structure_string":"Hf1 Ta1 Ru2\n1.0\n0.000000 3.212331 3.212331\n3.212331 0.000000 3.212331\n3.212331 3.212331 0.000000\nHf Ta Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Hf","Ta","Ru"],"chemical_system":"Hf-Ru-Ta","density":14.065922765108985,"density_atomic":0.06033497390605744,"volume":66.2965398183161,"volume_molar":9.98117736717111,"formula_full":"Hf1 Ta1 Ru2","formula_reduced":"HfTaRu2","formula_anonymous":"ABC2","energy":-42.5881043,"energy_per_atom":-10.647026075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.5881043,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001041,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.924000Z","spacegroup":225},{"id":"mp-1214974","created_at":"2022-09-04T14:44:03.245717Z","structure_string":"Al2 Cu2 O8 F2\n1.0\n1.445649 5.139529 0.000000\n-1.445649 5.139529 0.000000\n0.000000 1.553161 10.476476\nAl Cu O F\n2 2 8 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.673082 0.673082 0.194454 Cu\n0.326918 0.326918 0.805546 Cu\n0.349258 0.349258 0.624488 O\n0.650742 0.650742 0.375512 O\n0.069323 0.069323 0.150730 O\n0.930677 0.930677 0.849270 O\n0.379767 0.379767 0.058189 O\n0.620233 0.620233 0.941811 O\n0.312945 0.312945 0.187377 O\n0.687055 0.687055 0.812623 O\n0.070321 0.070321 0.578819 F\n0.929679 0.929679 0.421181 F\n","nsites":14,"nelements":4,"elements":["Al","Cu","O","F"],"chemical_system":"Al-Cu-F-O","density":3.701741582376937,"density_atomic":0.08992835237152809,"volume":155.67948962481483,"volume_molar":6.696598571182817,"formula_full":"Al2 Cu2 O8 F2","formula_reduced":"AlCuO4F","formula_anonymous":"ABCD4","energy":-77.36538878,"energy_per_atom":-5.526099198571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.15338878,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.3693634,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.203000Z","spacegroup":12},{"id":"mp-1175379","created_at":"2022-09-04T14:44:03.377103Z","structure_string":"Li9 Co7 O16\n1.0\n5.797142 5.060900 0.000000\n-5.797142 5.060900 0.000000\n0.000000 1.744945 4.797109\nLi Co O\n9 7 16\ndirect\n0.621556 0.378444 0.500000 Li\n0.253767 0.253767 0.491006 Li\n0.874482 0.125518 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.125518 0.874482 0.500000 Li\n0.746233 0.746233 0.508994 Li\n0.378444 0.621556 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.748182 0.251818 0.000000 Co\n0.251818 0.748182 0.000000 Co\n0.377603 0.130480 0.999931 Co\n0.000000 0.000000 0.000000 Co\n0.622397 0.869520 0.000069 Co\n0.869520 0.622397 0.000069 Co\n0.130480 0.377603 0.999931 Co\n0.756797 0.482318 0.774843 O\n0.360001 0.360001 0.764659 O\n0.983578 0.247200 0.777932 O\n0.630368 0.126497 0.780751 O\n0.247200 0.983578 0.777932 O\n0.874535 0.874535 0.763638 O\n0.482318 0.756797 0.774843 O\n0.126497 0.630368 0.780751 O\n0.517682 0.243203 0.225157 O\n0.125465 0.125465 0.236362 O\n0.752800 0.016422 0.222068 O\n0.369632 0.873503 0.219249 O\n0.016422 0.752800 0.222068 O\n0.639999 0.639999 0.235341 O\n0.243203 0.517682 0.225157 O\n0.873503 0.369632 0.219249 O\n","nsites":32,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.312313292491791,"density_atomic":0.11368383131409562,"volume":281.48242041198984,"volume_molar":5.297271116207812,"formula_full":"Li9 Co7 O16","formula_reduced":"Li9Co7O16","formula_anonymous":"A7B9C16","energy":-200.9184694,"energy_per_atom":-6.27870216875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.4604694,"band_gap":0.9235000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001506,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.730000Z","spacegroup":12},{"id":"mp-754171","created_at":"2022-09-04T14:44:03.512453Z","structure_string":"Cs4 Rb4 O4\n1.0\n5.040084 0.000000 0.000000\n0.000000 7.154083 0.000000\n0.000000 0.000000 9.952913\nCs Rb O\n4 4 4\ndirect\n0.250000 0.109540 0.616509 Cs\n0.750000 0.390460 0.116509 Cs\n0.250000 0.609540 0.883491 Cs\n0.750000 0.890460 0.383491 Cs\n0.750000 0.013247 0.874531 Rb\n0.250000 0.486753 0.374531 Rb\n0.750000 0.513247 0.625469 Rb\n0.250000 0.986753 0.125469 Rb\n0.750000 0.284636 0.406456 O\n0.250000 0.215364 0.906456 O\n0.750000 0.784636 0.093544 O\n0.250000 0.715364 0.593544 O\n","nsites":12,"nelements":3,"elements":["Cs","Rb","O"],"chemical_system":"Cs-O-Rb","density":4.337845361616444,"density_atomic":0.0334379226757321,"volume":358.87396822976444,"volume_molar":18.009912931495084,"formula_full":"Cs4 Rb4 O4","formula_reduced":"CsRbO","formula_anonymous":"ABC","energy":-40.45258462,"energy_per_atom":-3.3710487183333337,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.70458462,"band_gap":1.2535999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002924,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.180000Z","spacegroup":62},{"id":"mp-1395801","created_at":"2022-09-04T14:44:03.584144Z","structure_string":"Zn4 Ni4 O8\n1.0\n2.887585 0.000000 0.000000\n1.417783 8.176237 0.000000\n1.427998 0.928546 8.321438\nZn Ni O\n4 4 8\ndirect\n0.843135 0.231838 0.571422 Zn\n0.156865 0.768162 0.428578 Zn\n0.578523 0.127706 0.213489 Zn\n0.421477 0.872294 0.786511 Zn\n0.129518 0.553171 0.691568 Ni\n0.710784 0.191769 0.882942 Ni\n0.289216 0.808231 0.117058 Ni\n0.870482 0.446829 0.308432 Ni\n0.318751 0.594288 0.267524 O\n0.868050 0.816598 0.948190 O\n0.131950 0.183402 0.051810 O\n0.681249 0.405712 0.732476 O\n0.586270 0.717610 0.616725 O\n0.331853 0.109477 0.716625 O\n0.413730 0.282390 0.383275 O\n0.668147 0.890523 0.283375 O\n","nsites":16,"nelements":3,"elements":["Zn","Ni","O"],"chemical_system":"Ni-O-Zn","density":5.277505564688143,"density_atomic":0.08143917249378846,"volume":196.4656504978652,"volume_molar":7.394648761269426,"formula_full":"Zn4 Ni4 O8","formula_reduced":"ZnNiO2","formula_anonymous":"ABC2","energy":-87.34297686,"energy_per_atom":-5.45893605375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.68297686,"band_gap":0.9751,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0000338,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.876000Z","spacegroup":2},{"id":"mp-757989","created_at":"2022-09-04T14:44:03.670891Z","structure_string":"Li4 P8 W4 O32\n1.0\n5.331930 0.000000 0.000000\n0.000000 11.059631 0.000000\n0.000000 0.000000 11.451471\nLi P W O\n4 8 4 32\ndirect\n0.756355 0.748815 0.109768 Li\n0.243645 0.248815 0.390232 Li\n0.743645 0.251185 0.609768 Li\n0.256355 0.751185 0.890232 Li\n0.254448 0.095492 0.040246 P\n0.249881 0.862231 0.160054 P\n0.750119 0.362231 0.339946 P\n0.745552 0.595492 0.459754 P\n0.245552 0.904508 0.540246 P\n0.250119 0.137769 0.660054 P\n0.749881 0.637769 0.839946 P\n0.754448 0.404508 0.959754 P\n0.249407 0.403196 0.153137 W\n0.750593 0.903196 0.346863 W\n0.250593 0.596804 0.653137 W\n0.749407 0.096804 0.846863 W\n0.023095 0.064781 0.967672 O\n0.995511 0.438628 0.024005 O\n0.227734 0.804927 0.042433 O\n0.255638 0.222780 0.088062 O\n0.245124 0.008445 0.153112 O\n0.242477 0.547541 0.214444 O\n0.979569 0.328836 0.263790 O\n0.503291 0.831281 0.220004 O\n0.496709 0.331281 0.279996 O\n0.020431 0.828836 0.236210 O\n0.757523 0.047541 0.285556 O\n0.754876 0.508445 0.346888 O\n0.744362 0.722780 0.411938 O\n0.772266 0.304927 0.457567 O\n0.004489 0.938628 0.475995 O\n0.976905 0.564781 0.532328 O\n0.476905 0.935219 0.467672 O\n0.504489 0.561372 0.524005 O\n0.272266 0.195073 0.542433 O\n0.244362 0.777220 0.588062 O\n0.254876 0.991555 0.653112 O\n0.257523 0.452459 0.714444 O\n0.520431 0.671164 0.763790 O\n0.996709 0.168719 0.720004 O\n0.003291 0.668719 0.779996 O\n0.479569 0.171164 0.736210 O\n0.742477 0.952459 0.785556 O\n0.745124 0.491555 0.846888 O\n0.755638 0.277220 0.911938 O\n0.727734 0.695073 0.957567 O\n0.495511 0.061372 0.975995 O\n0.523095 0.435219 0.032328 O\n","nsites":48,"nelements":4,"elements":["Li","P","W","O"],"chemical_system":"Li-O-P-W","density":3.7448348924776074,"density_atomic":0.07108122167848856,"volume":675.2838354004589,"volume_molar":8.47219647861299,"formula_full":"Li4 P8 W4 O32","formula_reduced":"LiP2WO8","formula_anonymous":"ABC2D8","energy":-381.5358338,"energy_per_atom":-7.9486632041666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.7998338,"band_gap":3.443,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9950234,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.992000Z","spacegroup":19},{"id":"mp-1197310","created_at":"2022-09-04T14:44:03.728173Z","structure_string":"Co8 P16 O56\n1.0\n12.877831 0.000000 0.000000\n0.000000 8.998910 0.000000\n0.000000 3.234957 8.956984\nCo P O\n8 16 56\ndirect\n0.253461 0.246255 0.754005 Co\n0.753461 0.753745 0.745995 Co\n0.746539 0.753745 0.245995 Co\n0.246539 0.246255 0.254005 Co\n0.087671 0.250952 0.997682 Co\n0.587671 0.749048 0.502318 Co\n0.912329 0.749048 0.002318 Co\n0.412329 0.250952 0.497682 Co\n0.287959 0.482896 0.933124 P\n0.787959 0.517104 0.566876 P\n0.712041 0.517104 0.066876 P\n0.212041 0.482896 0.433124 P\n0.036697 0.441423 0.237453 P\n0.536697 0.558577 0.262547 P\n0.963303 0.558577 0.762547 P\n0.463303 0.441423 0.737453 P\n0.277739 0.007865 0.073479 P\n0.777739 0.992135 0.426521 P\n0.722261 0.992135 0.926521 P\n0.222261 0.007865 0.573479 P\n0.451724 0.043401 0.269260 P\n0.951724 0.956599 0.230740 P\n0.548276 0.956599 0.730740 P\n0.048276 0.043401 0.769260 P\n0.217795 0.374593 0.872036 O\n0.717795 0.625407 0.627964 O\n0.782205 0.625407 0.127964 O\n0.282205 0.374593 0.372036 O\n0.319774 0.390478 0.096790 O\n0.819774 0.609522 0.403210 O\n0.680226 0.609522 0.903210 O\n0.180226 0.390478 0.596790 O\n0.236392 0.637226 0.914816 O\n0.736392 0.362774 0.585184 O\n0.763608 0.362774 0.085184 O\n0.263608 0.637226 0.414816 O\n0.394775 0.506019 0.845014 O\n0.894775 0.493981 0.654986 O\n0.605225 0.493981 0.154986 O\n0.105225 0.506019 0.345014 O\n0.995311 0.410764 0.892103 O\n0.495311 0.589236 0.607897 O\n0.004689 0.589236 0.107897 O\n0.504689 0.410764 0.392103 O\n0.945407 0.348130 0.319194 O\n0.445407 0.651870 0.180806 O\n0.054593 0.651870 0.680806 O\n0.554593 0.348130 0.819194 O\n0.114944 0.344318 0.174220 O\n0.614944 0.655682 0.325780 O\n0.885056 0.655682 0.825780 O\n0.385056 0.344318 0.674220 O\n0.209880 0.122374 0.131026 O\n0.709880 0.877626 0.368974 O\n0.790120 0.877626 0.868974 O\n0.290120 0.122374 0.631026 O\n0.176884 0.102328 0.416771 O\n0.676884 0.897672 0.083229 O\n0.823116 0.897672 0.583229 O\n0.323116 0.102328 0.916771 O\n0.217833 0.864820 0.077794 O\n0.717833 0.135180 0.422206 O\n0.782167 0.135180 0.922206 O\n0.282167 0.864820 0.577794 O\n0.374839 0.964132 0.182083 O\n0.874839 0.035868 0.317917 O\n0.625161 0.035868 0.817917 O\n0.125161 0.964132 0.682083 O\n0.489726 0.904542 0.402297 O\n0.989726 0.095458 0.097703 O\n0.510274 0.095458 0.597703 O\n0.010274 0.904542 0.902297 O\n0.537336 0.134566 0.170646 O\n0.037336 0.865434 0.329354 O\n0.462664 0.865434 0.829354 O\n0.962664 0.134566 0.670646 O\n0.121207 0.149539 0.831033 O\n0.621207 0.850461 0.668967 O\n0.878793 0.850461 0.168967 O\n0.378793 0.149539 0.331033 O\n","nsites":80,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":2.980371192545455,"density_atomic":0.07707181008129167,"volume":1037.9930082817546,"volume_molar":7.813675004710715,"formula_full":"Co8 P16 O56","formula_reduced":"CoP2O7","formula_anonymous":"AB2C7","energy":-581.94199016,"energy_per_atom":-7.274274877000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-530.36599016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0034133,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.351000Z","spacegroup":14},{"id":"mp-1183793","created_at":"2022-09-04T14:44:03.735925Z","structure_string":"Dy1 Pa3\n1.0\n4.702978 0.000000 0.000000\n0.000000 4.702978 0.000000\n0.000000 0.000000 4.702978\nDy Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n","nsites":4,"nelements":2,"elements":["Dy","Pa"],"chemical_system":"Dy-Pa","density":13.658559843924039,"density_atomic":0.038453967048456626,"volume":104.02047713203474,"volume_molar":15.66064888028686,"formula_full":"Dy1 Pa3","formula_reduced":"DyPa3","formula_anonymous":"AB3","energy":-32.39496587,"energy_per_atom":-8.0987414675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.39496587,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037437,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.952000Z","spacegroup":221},{"id":"mp-1216653","created_at":"2022-09-04T14:44:07.020855Z","structure_string":"U1 Nb1 C2\n1.0\n5.679005 -1.639784 0.000000\n5.679005 1.639784 0.000000\n5.205526 0.000000 2.800446\nU Nb C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Nb\n0.243528 0.243528 0.243528 C\n0.756472 0.756472 0.756472 C\n","nsites":4,"nelements":3,"elements":["U","Nb","C"],"chemical_system":"C-Nb-U","density":11.300778675194673,"density_atomic":0.0766909111116029,"volume":52.15741920420115,"volume_molar":7.852483003150662,"formula_full":"U1 Nb1 C2","formula_reduced":"UNbC2","formula_anonymous":"ABC2","energy":-41.49427512,"energy_per_atom":-10.37356878,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.49427512,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3201836,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.747000Z","spacegroup":166},{"id":"mp-776687","created_at":"2022-09-04T14:44:03.247380Z","structure_string":"Li5 Fe1 F8\n1.0\n2.932752 -4.203422 0.000000\n2.932752 4.203422 0.000000\n0.000000 0.000000 6.005983\nLi Fe F\n5 1 8\ndirect\n0.500000 0.000000 0.775127 Li\n0.500000 0.000000 0.224873 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.775127 Li\n0.000000 0.500000 0.224873 Li\n0.500000 0.500000 0.500000 Fe\n0.733646 0.266354 0.000000 F\n0.732732 0.267268 0.500000 F\n0.276036 0.276036 0.739239 F\n0.723964 0.723964 0.739239 F\n0.276036 0.276036 0.260761 F\n0.723964 0.723964 0.260761 F\n0.267268 0.732732 0.500000 F\n0.266354 0.733646 0.000000 F\n","nsites":14,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":2.719788142168779,"density_atomic":0.09454435620150546,"volume":148.07864332125067,"volume_molar":6.3696459545028965,"formula_full":"Li5 Fe1 F8","formula_reduced":"Li5FeF8","formula_anonymous":"AB5C8","energy":-75.22422496,"energy_per_atom":-5.373158925714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.27222496,"band_gap":3.8558,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.9999942,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.653000Z","spacegroup":65},{"id":"mp-720644","created_at":"2022-09-04T14:43:59.940575Z","structure_string":"P4 H36 N8 O16\n1.0\n6.715850 0.000000 0.000000\n0.000000 8.101350 0.000000\n0.000000 3.654331 10.167603\nP H N O\n4 36 8 16\ndirect\n0.609046 0.316957 0.750878 P\n0.109046 0.183043 0.249122 P\n0.390954 0.683043 0.249122 P\n0.890954 0.816957 0.750878 P\n0.632131 0.550057 0.821688 H\n0.132131 0.949943 0.178312 H\n0.367869 0.449943 0.178312 H\n0.867869 0.050057 0.821688 H\n0.334891 0.912819 0.477259 H\n0.834891 0.587181 0.522741 H\n0.665109 0.087181 0.522741 H\n0.165109 0.412819 0.477259 H\n0.520731 0.804233 0.584246 H\n0.020731 0.695767 0.415754 H\n0.479269 0.195767 0.415754 H\n0.979269 0.304233 0.584246 H\n0.379549 0.702214 0.497862 H\n0.879549 0.797786 0.502138 H\n0.620451 0.297786 0.502138 H\n0.120451 0.202214 0.497862 H\n0.273100 0.757588 0.622391 H\n0.773100 0.742412 0.377609 H\n0.726900 0.242412 0.377609 H\n0.226900 0.257588 0.622391 H\n0.100193 0.497066 0.823941 H\n0.600193 0.002934 0.176059 H\n0.899807 0.502934 0.176059 H\n0.399807 0.997066 0.823941 H\n0.976985 0.298588 0.875349 H\n0.476985 0.201412 0.124651 H\n0.023015 0.701412 0.124651 H\n0.523015 0.798588 0.875349 H\n0.222634 0.311687 0.831351 H\n0.722634 0.188313 0.168649 H\n0.777366 0.688313 0.168649 H\n0.277366 0.811687 0.831351 H\n0.156912 0.343043 0.973467 H\n0.656912 0.156957 0.026533 H\n0.843088 0.656957 0.026533 H\n0.343088 0.843043 0.973467 H\n0.380346 0.793321 0.546840 N\n0.880346 0.706679 0.453160 N\n0.619654 0.206679 0.453160 N\n0.119654 0.293321 0.546840 N\n0.112798 0.361672 0.876537 N\n0.612798 0.138328 0.123463 N\n0.887202 0.638328 0.123463 N\n0.387202 0.861672 0.876537 N\n0.530120 0.475258 0.795482 O\n0.030120 0.024742 0.204518 O\n0.469880 0.524742 0.204518 O\n0.969880 0.975258 0.795482 O\n0.415634 0.222292 0.736218 O\n0.915634 0.277708 0.263782 O\n0.584366 0.777708 0.263782 O\n0.084366 0.722292 0.736218 O\n0.727043 0.389676 0.621195 O\n0.227043 0.110324 0.378805 O\n0.272957 0.610324 0.378805 O\n0.772957 0.889676 0.621195 O\n0.742651 0.196770 0.862586 O\n0.242651 0.303230 0.137414 O\n0.257349 0.803230 0.137414 O\n0.757349 0.696770 0.862586 O\n","nsites":64,"nelements":4,"elements":["P","H","N","O"],"chemical_system":"H-N-O-P","density":1.58559034923899,"density_atomic":0.11569191521004822,"volume":553.1933660515751,"volume_molar":5.205325496657486,"formula_full":"P4 H36 N8 O16","formula_reduced":"PH9(NO2)2","formula_anonymous":"AB2C4D9","energy":-369.68646215,"energy_per_atom":-5.77635097109375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.80646215,"band_gap":4.8995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000707,"is_theoretical":false,"updated_at":"2021-11-28T01:36:07.217000Z","spacegroup":14}]}