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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=12097",
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"results": [
{
"id": "mp-1214905",
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"structure_string": "Al20 Co3 B6\n1.0\n0.000000 5.678629 5.678629\n5.678629 0.000000 5.678629\n5.678629 5.678629 0.000000\nAl Co B\n20 3 6\ndirect\n0.376742 0.376742 0.376742 Al\n0.623258 0.623258 0.623258 Al\n0.376742 0.376742 0.869775 Al\n0.376742 0.869775 0.376742 Al\n0.623258 0.623258 0.130225 Al\n0.623258 0.130225 0.623258 Al\n0.869775 0.376742 0.376742 Al\n0.130225 0.623258 0.623258 Al\n0.335870 0.000000 0.000000 Al\n0.664130 0.000000 0.000000 Al\n0.000000 0.335870 0.664130 Al\n0.000000 0.664130 0.335870 Al\n0.000000 0.335870 0.000000 Al\n0.664130 0.000000 0.335870 Al\n0.000000 0.664130 0.000000 Al\n0.335870 0.000000 0.664130 Al\n0.000000 0.000000 0.335870 Al\n0.000000 0.000000 0.664130 Al\n0.664130 0.335870 0.000000 Al\n0.335870 0.664130 0.000000 Al\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Co\n0.717007 0.282993 0.282993 B\n0.282993 0.717007 0.717007 B\n0.282993 0.717007 0.282993 B\n0.717007 0.282993 0.717007 B\n0.282993 0.282993 0.717007 B\n0.717007 0.717007 0.282993 B\n",
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"formula_full": "Al20 Co3 B6",
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"spacegroup": 225
},
{
"id": "mp-757340",
"created_at": "2022-09-04T14:44:15.585061Z",
"structure_string": "Al19 Cr1 O30\n1.0\n-4.820305 0.000000 0.000000\n2.409151 4.598340 0.000000\n-0.004457 -1.720664 -19.900329\nAl Cr O\n19 1 30\ndirect\n0.494239 0.987482 0.071209 Al\n0.606937 0.213447 0.230125 Al\n0.593147 0.186101 0.370684 Al\n0.193334 0.384203 0.171775 Al\n0.706871 0.413805 0.529587 Al\n0.692955 0.386012 0.670295 Al\n0.006978 0.013917 0.429750 Al\n0.892775 0.785658 0.271299 Al\n0.907878 0.815017 0.131066 Al\n0.993040 0.986115 0.570432 Al\n0.092334 0.185072 0.868848 Al\n0.107042 0.213641 0.729089 Al\n0.807083 0.612898 0.828939 Al\n0.306875 0.613803 0.329901 Al\n0.406749 0.813854 0.629424 Al\n0.506239 0.013940 0.928211 Al\n0.293206 0.586283 0.470535 Al\n0.393086 0.785228 0.769878 Al\n0.790792 0.585122 0.969145 Al\n0.208997 0.418940 0.029902 Cr\n0.456210 0.300146 0.450024 O\n0.167946 0.641489 0.114075 O\n0.633239 0.960789 0.289033 O\n0.235300 0.152762 0.092587 O\n0.572551 0.838722 0.411270 O\n0.744967 0.099994 0.150582 O\n0.943595 0.499169 0.749578 O\n0.667572 0.709229 0.050084 O\n0.855990 0.099793 0.649781 O\n0.223287 0.767838 0.988071 O\n0.627620 0.560906 0.189302 O\n0.027557 0.361114 0.388858 O\n0.827665 0.960976 0.788318 O\n0.566661 0.439035 0.311485 O\n0.966312 0.238692 0.511168 O\n0.033716 0.761219 0.488802 O\n0.752829 0.234414 0.010330 O\n0.433696 0.561227 0.688424 O\n0.972276 0.638614 0.611090 O\n0.172116 0.038608 0.212773 O\n0.373199 0.438326 0.810296 O\n0.349811 0.299240 0.945805 O\n0.144071 0.899883 0.350336 O\n0.255472 0.897851 0.849039 O\n0.055590 0.499276 0.250530 O\n0.427477 0.161167 0.588675 O\n0.366208 0.038348 0.710886 O\n0.765806 0.839010 0.910689 O\n0.836861 0.361721 0.888098 O\n0.543847 0.699906 0.549919 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 3.9325533940000232,
"density_atomic": 0.11335329516980842,
"volume": 441.0987781616557,
"volume_molar": 5.312717862307009,
"formula_full": "Al19 Cr1 O30",
"formula_reduced": "Al19CrO30",
"formula_anonymous": "AB19C30",
"energy": -397.73045097,
"energy_per_atom": -7.954609019399999,
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"updated_at": "2021-11-28T01:36:40.220000Z",
"spacegroup": 1
},
{
"id": "mp-1215090",
"created_at": "2022-09-04T14:41:20.861363Z",
"structure_string": "Al38 Co12\n1.0\n4.043243 7.559180 0.000000\n-4.043243 7.559180 0.000000\n0.000000 3.919414 11.781507\nAl Co\n38 12\ndirect\n0.230704 0.779638 0.328236 Al\n0.769296 0.220362 0.671764 Al\n0.220362 0.769296 0.671764 Al\n0.779638 0.230704 0.328236 Al\n0.577503 0.577503 0.420011 Al\n0.422498 0.422498 0.579989 Al\n0.734157 0.734157 0.479162 Al\n0.265843 0.265843 0.520838 Al\n0.540218 0.098300 0.336324 Al\n0.459782 0.901700 0.663676 Al\n0.901700 0.459782 0.663676 Al\n0.098300 0.540218 0.336324 Al\n0.744503 0.744503 0.022360 Al\n0.255497 0.255497 0.977640 Al\n0.973911 0.973911 0.167873 Al\n0.026089 0.026089 0.832127 Al\n0.591407 0.591407 0.213578 Al\n0.408593 0.408593 0.786422 Al\n0.676750 0.068177 0.522000 Al\n0.323250 0.931823 0.478000 Al\n0.931823 0.323250 0.478000 Al\n0.068177 0.676750 0.522000 Al\n0.834446 0.834446 0.722941 Al\n0.165554 0.165554 0.277059 Al\n0.346307 0.912819 0.108175 Al\n0.653693 0.087181 0.891825 Al\n0.087181 0.653693 0.891825 Al\n0.912819 0.346307 0.108175 Al\n0.748998 0.251002 0.000000 Al\n0.251002 0.748998 0.000000 Al\n0.433552 0.433552 0.174072 Al\n0.566448 0.566448 0.825928 Al\n0.789751 0.789751 0.235363 Al\n0.210249 0.210249 0.764637 Al\n0.532682 0.094698 0.116173 Al\n0.467318 0.905302 0.883827 Al\n0.905302 0.467318 0.883827 Al\n0.094698 0.532682 0.116173 Al\n0.418059 0.418059 0.380987 Co\n0.581941 0.581941 0.619013 Co\n0.591710 0.591710 0.015413 Co\n0.408290 0.408290 0.984587 Co\n0.899933 0.899933 0.016944 Co\n0.100067 0.100067 0.983056 Co\n0.891407 0.891407 0.367202 Co\n0.108593 0.108593 0.632798 Co\n0.450242 0.896449 0.281272 Co\n0.549758 0.103551 0.718728 Co\n0.103551 0.549758 0.718728 Co\n0.896449 0.450242 0.281272 Co\n",
"nsites": 50,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 3.994718388654351,
"density_atomic": 0.06942799648151822,
"volume": 720.1705728799193,
"volume_molar": 8.673937122185425,
"formula_full": "Al38 Co12",
"formula_reduced": "Al19Co6",
"formula_anonymous": "A6B19",
"energy": -247.14152848,
"energy_per_atom": -4.9428305696,
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"updated_at": "2021-11-28T01:35:14.989000Z",
"spacegroup": 12
},
{
"id": "mp-1229050",
"created_at": "2022-09-04T14:44:02.732202Z",
"structure_string": "Al18 Co5 Ni3\n1.0\n0.000000 -4.063068 0.000000\n-5.843043 -2.031534 1.656239\n-5.827626 -2.031534 -13.542634\nAl Co Ni\n18 5 3\ndirect\n0.319523 0.089427 0.271527 Al\n0.318921 0.590433 0.771724 Al\n0.681122 0.411144 0.226613 Al\n0.680920 0.909452 0.728707 Al\n0.496269 0.639164 0.368298 Al\n0.496431 0.138711 0.868427 Al\n0.505430 0.859185 0.129955 Al\n0.503722 0.361022 0.631534 Al\n0.700314 0.195202 0.404170 Al\n0.699124 0.694989 0.906763 Al\n0.296244 0.311597 0.095915 Al\n0.299692 0.805115 0.595500 Al\n0.000826 0.748904 0.249443 Al\n0.999859 0.250303 0.749980 Al\n0.097476 0.776716 0.028332 Al\n0.095504 0.281834 0.527159 Al\n0.904578 0.718009 0.472834 Al\n0.903572 0.218947 0.973909 Al\n0.113039 0.418152 0.355769 Co\n0.113562 0.918580 0.854295 Co\n0.886465 0.081804 0.145265 Co\n0.886546 0.582000 0.644908 Co\n0.706111 0.524985 0.062794 Co\n0.706083 0.024742 0.563093 Ni\n0.293705 0.975400 0.437191 Ni\n0.294961 0.474181 0.935897 Ni\n",
"nsites": 26,
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"elements": [
"Al",
"Co",
"Ni"
],
"chemical_system": "Al-Co-Ni",
"density": 4.402661453909353,
"density_atomic": 0.07207649782705004,
"volume": 360.72784865862747,
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"formula_full": "Al18 Co5 Ni3",
"formula_reduced": "Al18Co5Ni3",
"formula_anonymous": "A3B5C18",
"energy": -132.80714942,
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"updated_at": "2021-11-28T01:36:24.599000Z",
"spacegroup": 8
},
{
"id": "mp-18663",
"created_at": "2022-09-04T14:48:04.096734Z",
"structure_string": "Al34 Si8 Pd16\n1.0\n-6.488719 6.488719 5.400594\n6.488719 -6.488719 5.400594\n6.488719 6.488719 -5.400594\nAl Si Pd\n34 8 16\ndirect\n0.750000 0.250000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.285965 0.447979 0.334542 Al\n0.201422 0.035965 0.337985 Al\n0.697979 0.863437 0.662015 Al\n0.113437 0.951422 0.665458 Al\n0.964035 0.302021 0.165458 Al\n0.048578 0.714035 0.162015 Al\n0.552021 0.886563 0.837985 Al\n0.136563 0.798578 0.834542 Al\n0.567204 0.498396 0.511003 Al\n0.306201 0.317204 0.568808 Al\n0.748396 0.737393 0.431192 Al\n0.987393 0.056201 0.488997 Al\n0.682796 0.251604 0.988997 Al\n0.943799 0.432796 0.931192 Al\n0.501604 0.012607 0.068808 Al\n0.262607 0.693799 0.011003 Al\n0.780110 0.488163 0.728766 Al\n0.301343 0.530110 0.791946 Al\n0.738163 0.509397 0.208054 Al\n0.759397 0.051343 0.271234 Al\n0.469890 0.261837 0.771234 Al\n0.948657 0.219890 0.708054 Al\n0.511837 0.240603 0.291946 Al\n0.490603 0.698657 0.228766 Al\n0.900279 0.570138 0.523805 Al\n0.626474 0.650279 0.830142 Al\n0.820138 0.796333 0.169858 Al\n0.046333 0.376474 0.476195 Al\n0.349721 0.179862 0.976195 Al\n0.623526 0.099721 0.669858 Al\n0.429862 0.953667 0.330142 Al\n0.203667 0.373526 0.023805 Al\n0.196495 0.161107 0.133983 Si\n0.312513 0.946495 0.535389 Si\n0.411107 0.777124 0.464611 Si\n0.027124 0.062513 0.866017 Si\n0.053505 0.588893 0.366017 Si\n0.937487 0.803505 0.964611 Si\n0.838893 0.972876 0.035389 Si\n0.222876 0.687487 0.633983 Si\n0.832992 0.138098 0.887175 Pd\n0.195817 0.582992 0.194894 Pd\n0.388098 0.000924 0.805106 Pd\n0.250924 0.945817 0.112825 Pd\n0.417008 0.611902 0.612825 Pd\n0.054183 0.167008 0.305106 Pd\n0.861902 0.749076 0.694894 Pd\n0.999076 0.804183 0.387175 Pd\n0.035108 0.497997 0.727525 Pd\n0.557583 0.785108 0.037111 Pd\n0.747997 0.520471 0.962889 Pd\n0.770471 0.307583 0.272475 Pd\n0.214892 0.252003 0.772475 Pd\n0.692417 0.964892 0.462889 Pd\n0.502003 0.229529 0.537111 Pd\n0.479529 0.442417 0.227525 Pd\n",
"nsites": 58,
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"elements": [
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"Si",
"Pd"
],
"chemical_system": "Al-Pd-Si",
"density": 5.193710827133853,
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"volume": 909.5350818916014,
"volume_molar": 9.443703947085087,
"formula_full": "Al34 Si8 Pd16",
"formula_reduced": "Al17(SiPd2)4",
"formula_anonymous": "A4B8C17",
"energy": -280.56210167,
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"updated_at": "2021-11-28T01:38:28.584000Z",
"spacegroup": 88
},
{
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}