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{
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{
"id": "mp-768580",
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"structure_string": "Li4 Mn2 V2 P6 O24\n1.0\n9.207398 -0.140237 0.197444\n-0.162588 8.335449 0.025902\n3.836717 4.090374 6.104731\nLi Mn V P O\n4 2 2 6 24\ndirect\n0.139501 0.742514 0.178337 Li\n0.126035 0.066575 0.608918 Li\n0.873965 0.933425 0.391082 Li\n0.860499 0.257486 0.821663 Li\n0.564987 0.849296 0.289831 Mn\n0.435013 0.150704 0.710169 Mn\n0.047598 0.354015 0.292124 V\n0.952402 0.645985 0.707876 V\n0.254009 0.045546 0.206397 P\n0.242253 0.460987 0.497501 P\n0.256186 0.751430 0.777840 P\n0.743814 0.248570 0.222160 P\n0.757747 0.539013 0.502499 P\n0.745991 0.954454 0.793603 P\n0.097733 0.839005 0.372194 O\n0.270482 0.124713 0.985439 O\n0.178205 0.171826 0.295987 O\n0.191806 0.498165 0.327793 O\n0.088813 0.475593 0.680451 O\n0.119879 0.792542 0.712674 O\n0.417294 0.027922 0.200778 O\n0.246166 0.254486 0.612073 O\n0.415206 0.617225 0.373110 O\n0.186075 0.535971 0.980072 O\n0.264634 0.884570 0.855195 O\n0.432655 0.792278 0.585426 O\n0.567345 0.207722 0.414574 O\n0.735366 0.115430 0.144805 O\n0.813925 0.464029 0.019928 O\n0.584794 0.382775 0.626890 O\n0.753834 0.745514 0.387927 O\n0.582706 0.972078 0.799222 O\n0.880121 0.207458 0.287326 O\n0.911187 0.524407 0.319549 O\n0.808194 0.501835 0.672207 O\n0.821795 0.828174 0.704013 O\n0.729518 0.875287 0.014561 O\n0.902267 0.160995 0.627806 O\n",
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"formula_full": "Li4 Mn2 V2 P6 O24",
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{
"id": "mp-1103827",
"created_at": "2022-09-04T14:39:14.755527Z",
"structure_string": "Cu2 N4 F8\n1.0\n2.864266 -6.222863 0.000000\n2.864266 6.222863 0.000000\n0.000000 0.000000 5.730675\nCu N F\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.848805 0.151195 0.500000 N\n0.348805 0.651195 0.000000 N\n0.151195 0.848805 0.500000 N\n0.651195 0.348805 0.000000 N\n0.644972 0.355028 0.500000 F\n0.144972 0.855028 0.000000 F\n0.355028 0.644972 0.500000 F\n0.855028 0.144972 0.000000 F\n0.276087 0.276087 0.724132 F\n0.723913 0.723913 0.275868 F\n0.223913 0.223913 0.224132 F\n0.776087 0.776087 0.775868 F\n",
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"elements": [
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],
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"volume": 204.286356421508,
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"formula_full": "Cu2 N4 F8",
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"spacegroup": 64
},
{
"id": "mp-704967",
"created_at": "2022-09-04T14:43:53.464879Z",
"structure_string": "K10 Ce2 Ni4 N24 O48\n1.0\n10.714529 0.000000 0.000000\n0.000000 10.714529 0.000000\n0.000000 0.000000 10.714529\nK Ce Ni N O\n10 2 4 24 48\ndirect\n0.250000 0.250000 0.750000 K\n0.250000 0.750000 0.250000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.750000 0.250000 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.250000 Ni\n0.250000 0.750000 0.750000 Ni\n0.750000 0.250000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.254766 0.257021 0.445841 N\n0.554159 0.745234 0.257021 N\n0.445841 0.745234 0.742979 N\n0.257021 0.554159 0.745234 N\n0.745234 0.742979 0.445841 N\n0.757021 0.054159 0.754766 N\n0.054159 0.754766 0.757021 N\n0.554159 0.254766 0.742979 N\n0.257021 0.445841 0.254766 N\n0.754766 0.242979 0.945841 N\n0.742979 0.554159 0.254766 N\n0.245234 0.242979 0.054159 N\n0.254766 0.742979 0.554159 N\n0.757021 0.945841 0.245234 N\n0.445841 0.254766 0.257021 N\n0.242979 0.945841 0.754766 N\n0.242979 0.054159 0.245234 N\n0.945841 0.754766 0.242979 N\n0.742979 0.445841 0.745234 N\n0.745234 0.257021 0.554159 N\n0.245234 0.757021 0.945841 N\n0.754766 0.757021 0.054159 N\n0.945841 0.245234 0.757021 N\n0.054159 0.245234 0.242979 N\n0.256269 0.007231 0.656331 O\n0.756269 0.507231 0.843669 O\n0.156331 0.756269 0.492769 O\n0.992769 0.343669 0.256269 O\n0.656331 0.256269 0.007231 O\n0.005955 0.855095 0.223009 O\n0.144905 0.223009 0.994045 O\n0.723009 0.494045 0.355095 O\n0.343669 0.743731 0.007231 O\n0.776991 0.005955 0.144905 O\n0.843669 0.756269 0.507231 O\n0.144905 0.776991 0.005955 O\n0.492769 0.156331 0.756269 O\n0.644905 0.723009 0.505955 O\n0.776991 0.994045 0.855095 O\n0.656331 0.743731 0.992769 O\n0.644905 0.276991 0.494045 O\n0.007231 0.656331 0.256269 O\n0.843669 0.243731 0.492769 O\n0.855095 0.776991 0.994045 O\n0.276991 0.494045 0.644905 O\n0.007231 0.343669 0.743731 O\n0.005955 0.144905 0.776991 O\n0.492769 0.843669 0.243731 O\n0.756269 0.492769 0.156331 O\n0.994045 0.144905 0.223009 O\n0.156331 0.243731 0.507231 O\n0.743731 0.007231 0.343669 O\n0.343669 0.256269 0.992769 O\n0.276991 0.505955 0.355095 O\n0.494045 0.355095 0.723009 O\n0.355095 0.723009 0.494045 O\n0.992769 0.656331 0.743731 O\n0.505955 0.644905 0.723009 O\n0.507231 0.843669 0.756269 O\n0.256269 0.992769 0.343669 O\n0.494045 0.644905 0.276991 O\n0.507231 0.156331 0.243731 O\n0.743731 0.992769 0.656331 O\n0.243731 0.492769 0.843669 O\n0.855095 0.223009 0.005955 O\n0.994045 0.855095 0.776991 O\n0.223009 0.994045 0.144905 O\n0.355095 0.276991 0.505955 O\n0.243731 0.507231 0.156331 O\n0.723009 0.505955 0.644905 O\n0.505955 0.355095 0.276991 O\n0.223009 0.005955 0.855095 O\n",
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"elements": [
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"formula_full": "K10 Ce2 Ni4 N24 O48",
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"spacegroup": 201
},
{
"id": "mp-1517521",
"created_at": "2022-09-04T14:40:24.457749Z",
"structure_string": "Ba1 Sm1 Eu1 Fe1 O6\n1.0\n0.000000 -4.186514 -4.186514\n4.186514 0.000000 -4.186514\n4.186514 -4.186514 0.000000\nBa Sm Eu Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 -0.000000 Fe\n0.768116 0.231884 0.231884 O\n0.231884 0.768116 0.768116 O\n0.768116 0.231884 0.768116 O\n0.231884 0.768116 0.231884 O\n0.768116 0.768116 0.231884 O\n0.231884 0.231884 0.768116 O\n",
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"formula_full": "Ba1 Sm1 Eu1 Fe1 O6",
"formula_reduced": "BaSmEuFeO6",
"formula_anonymous": "ABCDE6",
"energy": -81.59627139,
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},
{
"id": "mp-768545",
"created_at": "2022-09-04T14:43:45.988452Z",
"structure_string": "Li4 Mn2 V2 P6 O24\n1.0\n8.918062 -0.097171 0.100038\n-0.121066 8.501428 0.072892\n3.671822 4.222602 6.148499\nLi Mn V P O\n4 2 2 6 24\ndirect\n0.160598 0.331007 0.938846 Li\n0.864028 0.684931 0.048783 Li\n0.867838 0.922804 0.399388 Li\n0.861873 0.265342 0.812498 Li\n0.053074 0.353471 0.303495 Mn\n0.956052 0.649539 0.693806 Mn\n0.559433 0.854541 0.293575 V\n0.433416 0.140932 0.712151 V\n0.250416 0.037852 0.214225 P\n0.252406 0.453113 0.502565 P\n0.247628 0.753408 0.785481 P\n0.755596 0.251150 0.210741 P\n0.749668 0.538001 0.495487 P\n0.745636 0.968372 0.784227 P\n0.092214 0.842970 0.377503 O\n0.268221 0.122118 0.988288 O\n0.211785 0.176268 0.277733 O\n0.202446 0.484991 0.337219 O\n0.099436 0.434065 0.706810 O\n0.089736 0.779388 0.749433 O\n0.426611 0.000483 0.191196 O\n0.298178 0.263329 0.597921 O\n0.417250 0.621301 0.383219 O\n0.204869 0.540826 0.967033 O\n0.273087 0.890317 0.845329 O\n0.417531 0.806980 0.572131 O\n0.590396 0.194104 0.421086 O\n0.732668 0.115577 0.143055 O\n0.804120 0.463395 0.022279 O\n0.572555 0.378538 0.631378 O\n0.721616 0.741263 0.396463 O\n0.567455 0.000878 0.812394 O\n0.916080 0.216956 0.244903 O\n0.888892 0.539451 0.300760 O\n0.808776 0.506794 0.657194 O\n0.790986 0.842902 0.700770 O\n0.724382 0.871560 0.015339 O\n0.889344 0.169649 0.633038 O\n",
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"formula_full": "Li4 Mn2 V2 P6 O24",
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{
"id": "mp-1174802",
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.444653 14.778563 0.000000\n-1.444653 14.778563 0.000000\n0.000000 0.631404 5.873119\nLi Mn Co O\n8 2 4 14\ndirect\n0.577299 0.577299 0.219189 Li\n0.709244 0.709244 0.639545 Li\n0.855598 0.855598 0.075344 Li\n0.143293 0.143293 0.933596 Li\n0.284737 0.284737 0.357925 Li\n0.427184 0.427184 0.784264 Li\n0.002994 0.002994 0.498935 Li\n0.142901 0.142901 0.422355 Li\n0.001901 0.001901 0.998465 Mn\n0.710678 0.710678 0.148353 Mn\n0.285102 0.285102 0.858681 Co\n0.427890 0.427890 0.288866 Co\n0.580208 0.580208 0.696099 Co\n0.855873 0.855873 0.569247 Co\n0.501406 0.501406 0.222303 O\n0.640147 0.640147 0.684201 O\n0.780959 0.780959 0.093314 O\n0.066502 0.066502 0.948800 O\n0.214584 0.214584 0.365066 O\n0.355485 0.355485 0.813156 O\n0.927072 0.927072 0.515474 O\n0.648458 0.648458 0.174513 O\n0.785691 0.785691 0.626086 O\n0.933881 0.933881 0.056980 O\n0.214832 0.214832 0.917736 O\n0.356611 0.356611 0.330405 O\n0.498989 0.498989 0.779872 O\n0.070480 0.070480 0.481230 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "mp-1177980",
"created_at": "2022-09-04T14:45:56.049977Z",
"structure_string": "Li4 Mn2 V2 P6 O24\n1.0\n8.938760 -0.127865 0.098508\n-0.153759 8.578136 0.065718\n3.662095 4.243084 6.114096\nLi Mn V P O\n4 2 2 6 24\ndirect\n0.137380 0.737045 0.182649 Li\n0.158074 0.327588 0.940860 Li\n0.858427 0.925401 0.406780 Li\n0.860779 0.267284 0.812824 Li\n0.051130 0.348734 0.304568 Mn\n0.949100 0.651210 0.702004 Mn\n0.563594 0.852992 0.295135 V\n0.438386 0.146869 0.701704 V\n0.251389 0.035858 0.214319 P\n0.252985 0.452911 0.504193 P\n0.248391 0.751938 0.781800 P\n0.755557 0.253058 0.206764 P\n0.755126 0.543501 0.492442 P\n0.743395 0.970545 0.787209 P\n0.088925 0.839505 0.371912 O\n0.271679 0.120439 0.984914 O\n0.204715 0.170894 0.279858 O\n0.203605 0.492134 0.332616 O\n0.096628 0.429476 0.708472 O\n0.106479 0.785803 0.722632 O\n0.420313 0.994689 0.200755 O\n0.296775 0.263158 0.594205 O\n0.416297 0.618240 0.390668 O\n0.201987 0.539158 0.967611 O\n0.270380 0.881701 0.853314 O\n0.427631 0.806285 0.574098 O\n0.587061 0.191067 0.417765 O\n0.736040 0.115294 0.142115 O\n0.804482 0.461753 0.019824 O\n0.583633 0.382044 0.612954 O\n0.725242 0.742581 0.396546 O\n0.567443 0.004893 0.806121 O\n0.913069 0.217212 0.247922 O\n0.912704 0.554230 0.302842 O\n0.798338 0.507313 0.670583 O\n0.789465 0.844996 0.706422 O\n0.712961 0.886344 0.019479 O\n0.889892 0.171271 0.631953 O\n",
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{
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{
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}