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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=21",
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"results": [
{
"id": "mp-30025",
"created_at": "2022-09-04T14:41:23.308341Z",
"structure_string": "Dy8 Br16\n1.0\n6.689037 0.000000 0.000000\n0.000000 7.748607 0.000000\n0.000000 0.000000 13.137653\nDy Br\n8 16\ndirect\n0.655628 0.047526 0.097782 Dy\n0.155628 0.952474 0.402218 Dy\n0.844372 0.547526 0.902218 Dy\n0.344372 0.452474 0.597782 Dy\n0.344372 0.952474 0.902218 Dy\n0.844372 0.047526 0.597782 Dy\n0.155628 0.452474 0.097782 Dy\n0.655628 0.547526 0.402218 Dy\n0.022938 0.797501 0.038466 Br\n0.522938 0.202499 0.461534 Br\n0.477062 0.297501 0.961534 Br\n0.977062 0.702499 0.538466 Br\n0.977062 0.202499 0.961534 Br\n0.477062 0.797501 0.538466 Br\n0.522938 0.702499 0.038466 Br\n0.022938 0.297501 0.461534 Br\n0.787061 0.372130 0.209871 Br\n0.287061 0.627870 0.290129 Br\n0.712939 0.872130 0.790129 Br\n0.212939 0.127870 0.709871 Br\n0.212939 0.627870 0.790129 Br\n0.712939 0.372130 0.709871 Br\n0.287061 0.127870 0.209871 Br\n0.787061 0.872130 0.290129 Br\n",
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"formula_full": "Dy8 Br16",
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{
"id": "mp-1182026",
"created_at": "2022-09-04T14:41:23.314436Z",
"structure_string": "Cd2 Br12 N8\n1.0\n6.056127 -9.428197 0.000000\n6.056127 9.428197 0.000000\n-8.621718 0.000000 7.157761\nCd Br N\n2 12 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.453664 0.343100 0.778986 Br\n0.778986 0.453664 0.343100 Br\n0.343100 0.778986 0.453664 Br\n0.278986 0.843100 0.953664 Br\n0.953664 0.278986 0.843100 Br\n0.843100 0.953664 0.278986 Br\n0.546336 0.656900 0.221014 Br\n0.221014 0.546336 0.656900 Br\n0.656900 0.221014 0.546336 Br\n0.721014 0.156900 0.046336 Br\n0.046336 0.721014 0.156900 Br\n0.156900 0.046336 0.721014 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.639458 0.860542 0.250000 N\n0.250000 0.639458 0.860542 N\n0.860542 0.250000 0.639458 N\n0.750000 0.360542 0.139458 N\n0.139458 0.750000 0.360542 N\n0.360542 0.139458 0.750000 N\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.632271340602645,
"density_atomic": 0.026914844170178302,
"volume": 817.3928060254586,
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"formula_full": "Cd2 Br12 N8",
"formula_reduced": "Cd(Br3N2)2",
"formula_anonymous": "AB4C6",
"energy": -74.01939533000001,
"energy_per_atom": -3.364517969545455,
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"updated_at": "2021-11-28T01:35:20.479000Z",
"spacegroup": 167
},
{
"id": "mp-9539",
"created_at": "2022-09-04T14:41:23.316259Z",
"structure_string": "Eu2 Mg2 F8\n1.0\n2.042475 -7.479306 0.000000\n2.042475 7.479306 0.000000\n0.000000 0.000000 5.607933\nEu Mg F\n2 2 8\ndirect\n0.667008 0.332992 0.750000 Eu\n0.332992 0.667008 0.250000 Eu\n0.088615 0.911385 0.250000 Mg\n0.911385 0.088615 0.750000 Mg\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.186995 0.813005 0.496635 F\n0.813005 0.186995 0.503365 F\n0.399244 0.600756 0.750000 F\n0.600756 0.399244 0.250000 F\n0.186995 0.813005 0.003365 F\n0.813005 0.186995 0.996635 F\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Eu-F-Mg",
"density": 4.889687671508662,
"density_atomic": 0.0700374592499373,
"volume": 171.3368835550776,
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"formula_full": "Eu2 Mg2 F8",
"formula_reduced": "EuMgF4",
"formula_anonymous": "ABC4",
"energy": -85.78122133,
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"updated_at": "2021-11-28T01:35:20.026000Z",
"spacegroup": 63
},
{
"id": "mp-756516",
"created_at": "2022-09-04T14:41:23.321275Z",
"structure_string": "Li4 Mn4 O8\n1.0\n2.961329 5.171650 0.000000\n-2.961329 5.171650 0.000000\n0.000000 3.378836 4.857152\nLi Mn O\n4 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.750065 0.750065 0.714957 O\n0.230494 0.741114 0.258960 O\n0.741114 0.230494 0.258960 O\n0.249935 0.249935 0.285043 O\n0.258891 0.258891 0.753710 O\n0.769506 0.258886 0.741040 O\n0.258886 0.769506 0.741040 O\n0.741109 0.741109 0.246290 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Mn-O",
"density": 4.191261181026642,
"density_atomic": 0.10754556542191103,
"volume": 148.77414923833024,
"volume_molar": 5.599617926015447,
"formula_full": "Li4 Mn4 O8",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy": -117.59678846,
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"updated_at": "2021-11-28T01:35:29.723000Z",
"spacegroup": 12
},
{
"id": "mp-1196954",
"created_at": "2022-09-04T14:41:23.329325Z",
"structure_string": "Yb16 O24\n1.0\n-5.353821 5.353821 5.353821\n5.353821 -5.353821 5.353821\n5.353821 5.353821 -5.353821\nYb O\n16 24\ndirect\n0.492970 0.500000 0.000000 Yb\n0.000000 0.492970 0.500000 Yb\n0.500000 0.000000 0.492970 Yb\n0.007030 0.007030 0.007030 Yb\n0.215299 0.750000 0.965299 Yb\n0.250000 0.534701 0.284701 Yb\n0.965299 0.215299 0.750000 Yb\n0.284701 0.250000 0.534701 Yb\n0.750000 0.965299 0.215299 Yb\n0.534701 0.284701 0.250000 Yb\n0.722696 0.750000 0.472696 Yb\n0.250000 0.027304 0.777304 Yb\n0.472696 0.722696 0.750000 Yb\n0.777304 0.250000 0.027304 Yb\n0.750000 0.472696 0.722696 Yb\n0.027304 0.777304 0.250000 Yb\n0.466806 0.739805 0.002987 O\n0.463819 0.497013 0.236818 O\n0.227001 0.263182 0.760195 O\n0.236818 0.463819 0.497013 O\n0.760195 0.227001 0.263182 O\n0.002987 0.466806 0.739805 O\n0.263182 0.760195 0.227001 O\n0.739805 0.002987 0.466806 O\n0.497013 0.236818 0.463819 O\n0.033194 0.036181 0.272999 O\n0.036181 0.272999 0.033194 O\n0.272999 0.033194 0.036181 O\n0.538394 0.511299 0.773555 O\n0.764839 0.726445 0.237744 O\n0.527096 0.262256 0.988701 O\n0.237744 0.764839 0.726445 O\n0.988701 0.527096 0.262256 O\n0.773555 0.538394 0.511299 O\n0.262256 0.988701 0.527096 O\n0.511299 0.773555 0.538394 O\n0.726445 0.237744 0.764839 O\n0.961606 0.735161 0.972904 O\n0.735161 0.972904 0.961606 O\n0.972904 0.961606 0.735161 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 8.528447166229766,
"density_atomic": 0.065164108693411,
"volume": 613.8348364157793,
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"formula_full": "Yb16 O24",
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"energy": -251.32646509,
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"updated_at": "2021-11-28T01:35:17.890000Z",
"spacegroup": 199
},
{
"id": "mp-4048",
"created_at": "2022-09-04T14:41:23.418411Z",
"structure_string": "Sr6 Rh5 O15\n1.0\n5.240766 -4.898369 0.000000\n5.240766 4.898369 0.000000\n0.662425 0.000000 7.142888\nSr Rh O\n6 5 15\ndirect\n0.317254 0.682746 0.000000 Sr\n0.682746 0.000000 0.317254 Sr\n0.000000 0.317254 0.682746 Sr\n0.147201 0.852799 0.500000 Sr\n0.852799 0.500000 0.147201 Sr\n0.500000 0.147201 0.852799 Sr\n0.903250 0.903250 0.903250 Rh\n0.096750 0.096750 0.096750 Rh\n0.707455 0.707455 0.707455 Rh\n0.292545 0.292545 0.292545 Rh\n0.500000 0.500000 0.500000 Rh\n0.269456 0.567041 0.343833 O\n0.343833 0.269456 0.567041 O\n0.567041 0.343833 0.269456 O\n0.730544 0.656167 0.432959 O\n0.432959 0.730544 0.656167 O\n0.656167 0.432959 0.730544 O\n0.000000 0.835142 0.164858 O\n0.164858 0.000000 0.835142 O\n0.835142 0.164858 0.000000 O\n0.347835 0.017385 0.211437 O\n0.211437 0.347835 0.017385 O\n0.788563 0.982615 0.652165 O\n0.982615 0.652165 0.788563 O\n0.652165 0.788563 0.982615 O\n0.017385 0.211437 0.347835 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 5.796820838070534,
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"volume": 366.7330944323238,
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"formula_full": "Sr6 Rh5 O15",
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"energy": -177.25723875,
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{
"id": "mp-554009",
"created_at": "2022-09-04T14:41:23.328855Z",
"structure_string": "Er8 Si6 O22 F4\n1.0\n6.490857 0.000000 0.000000\n3.223970 5.782798 0.000000\n0.951518 0.091047 13.251708\nEr Si O F\n8 6 22 4\ndirect\n0.780980 0.786934 0.471352 Er\n0.821773 0.307645 0.328972 Er\n0.939123 0.274498 0.026325 Er\n0.060877 0.725502 0.973675 Er\n0.675046 0.620903 0.796695 Er\n0.178227 0.692355 0.671028 Er\n0.219020 0.213066 0.528648 Er\n0.324954 0.379097 0.203305 Er\n0.492440 0.251534 0.935061 Si\n0.231844 0.153193 0.783068 Si\n0.507560 0.748466 0.064939 Si\n0.768156 0.846807 0.216932 Si\n0.732722 0.269246 0.579136 Si\n0.267278 0.730754 0.420864 Si\n0.796626 0.676181 0.313808 O\n0.735399 0.662596 0.979404 O\n0.012305 0.939957 0.387847 O\n0.989242 0.285956 0.855146 O\n0.407370 0.841247 0.479042 O\n0.203374 0.323819 0.686192 O\n0.533147 0.903760 0.152493 O\n0.987695 0.060043 0.612153 O\n0.466853 0.096240 0.847507 O\n0.422779 0.545780 0.331638 O\n0.010758 0.714044 0.144854 O\n0.687828 0.113510 0.246516 O\n0.264601 0.337404 0.020596 O\n0.827008 0.406362 0.492055 O\n0.172992 0.593638 0.507945 O\n0.312172 0.886490 0.753484 O\n0.592630 0.158753 0.520958 O\n0.248901 0.905931 0.018877 O\n0.555914 0.497789 0.112633 O\n0.577221 0.454220 0.668362 O\n0.444086 0.502211 0.887367 O\n0.751099 0.094069 0.981123 O\n0.035541 0.269312 0.185093 F\n0.794941 0.741139 0.645625 F\n0.964459 0.730688 0.814907 F\n0.205059 0.258861 0.354375 F\n",
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"formula_full": "Er8 Si6 O22 F4",
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{
"id": "mp-29402",
"created_at": "2022-09-04T14:41:23.343614Z",
"structure_string": "K4 Ga4 I16\n1.0\n8.211444 0.000000 0.000000\n0.000000 8.569040 0.000000\n0.000000 1.409523 16.580250\nK Ga I\n4 4 16\ndirect\n0.502850 0.257312 0.639867 K\n0.002850 0.742688 0.860133 K\n0.497150 0.742688 0.360133 K\n0.997150 0.257312 0.139867 K\n0.358232 0.244100 0.360936 Ga\n0.858232 0.755900 0.139064 Ga\n0.641768 0.755900 0.639064 Ga\n0.141768 0.244100 0.860936 Ga\n0.859480 0.138969 0.908686 I\n0.359480 0.861031 0.591314 I\n0.140520 0.861031 0.091314 I\n0.640520 0.138969 0.408686 I\n0.389210 0.412836 0.224595 I\n0.889210 0.587164 0.275405 I\n0.610790 0.587164 0.775405 I\n0.110790 0.412836 0.724595 I\n0.655292 0.981116 0.159480 I\n0.155292 0.018884 0.340520 I\n0.344708 0.018884 0.840520 I\n0.844708 0.981116 0.659480 I\n0.242711 0.419501 0.467424 I\n0.742711 0.580499 0.032576 I\n0.757289 0.580499 0.532576 I\n0.257289 0.419501 0.967424 I\n",
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"formula_full": "K4 Ga4 I16",
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{
"id": "mp-677295",
"created_at": "2022-09-04T14:41:23.356698Z",
"structure_string": "Co1 Bi12 O20\n1.0\n-5.139154 5.139154 5.139154\n5.139154 -5.139154 5.139154\n5.139154 5.139154 -5.139154\nCo Bi O\n1 12 20\ndirect\n0.000000 0.000000 0.000000 Co\n0.860913 0.696947 0.192830 Bi\n0.331917 0.836034 0.139087 Bi\n0.495883 0.303053 0.163966 Bi\n0.836034 0.139087 0.331917 Bi\n0.668083 0.807170 0.504117 Bi\n0.163966 0.495883 0.303053 Bi\n0.807170 0.504117 0.668083 Bi\n0.303053 0.163966 0.495883 Bi\n0.192830 0.860913 0.696947 Bi\n0.504117 0.668083 0.807170 Bi\n0.696947 0.192830 0.860913 Bi\n0.139087 0.331917 0.836034 Bi\n0.000000 0.000000 0.391400 O\n0.123067 0.741817 0.357826 O\n0.618751 0.876933 0.234760 O\n0.258183 0.381249 0.616009 O\n0.000000 0.000000 0.795775 O\n0.876933 0.234760 0.618751 O\n0.357826 0.123067 0.741817 O\n0.765240 0.642174 0.383991 O\n0.000000 0.795775 0.000000 O\n0.204225 0.204225 0.204225 O\n0.795775 0.000000 0.000000 O\n0.000000 0.391400 0.000000 O\n0.608600 0.608600 0.608600 O\n0.391400 0.000000 0.000000 O\n0.234760 0.618751 0.876933 O\n0.381249 0.616009 0.258183 O\n0.383991 0.765240 0.642174 O\n0.642174 0.383991 0.765240 O\n0.741817 0.357826 0.123067 O\n0.616009 0.258183 0.381249 O\n",
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],
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"density": 8.82904551078493,
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"volume": 542.918808363741,
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"formula_full": "Co1 Bi12 O20",
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"formula_anonymous": "AB12C20",
"energy": -204.98549145,
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