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{
"id": "jvasp-40102",
"created_at": "2022-09-04T14:37:57.647719Z",
"updated_at": "2022-09-04T14:37:57.647749Z",
"structure_string": "Yb2 Mo2 Cl2 O8\n1.0\n5.940082 -3.207289 0.300823\n5.940082 3.207289 0.300823\n-1.988339 0.000000 6.499869\nYb Mo Cl O\n2 2 2 8\ndirect\n0.287867 0.287867 0.153931 Yb\n0.712132 0.712132 0.846069 Yb\n0.631990 0.631990 0.259269 Mo\n0.368009 0.368009 0.740731 Mo\n0.978260 0.978260 0.347669 Cl\n0.021739 0.021739 0.652332 Cl\n0.886812 0.457346 0.120590 O\n0.457346 0.886812 0.120590 O\n0.482610 0.482610 0.245710 O\n0.288757 0.288757 0.486089 O\n0.711241 0.711241 0.513912 O\n0.517389 0.517389 0.754289 O\n0.542653 0.113187 0.879408 O\n0.113187 0.542653 0.879408 O\n",
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{
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"structure_string": "Li2 Ni2 P2 O8\n1.0\n0.000000 5.556582 -0.000000\n2.858245 -2.778291 3.950957\n5.716490 0.000000 0.000000\nLi Ni P O\n2 2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.369641 0.239280 0.380359 P\n0.630359 0.760721 0.619641 P\n0.260849 0.021698 0.263656 O\n0.739151 0.978303 0.285356 O\n0.260648 0.478590 0.260705 O\n0.717941 0.478590 0.260705 O\n0.260849 0.021698 0.714644 O\n0.739151 0.978303 0.736345 O\n0.282059 0.521411 0.739295 O\n0.739352 0.521411 0.739295 O\n",
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{
"id": "jvasp-109357",
"created_at": "2022-09-04T14:38:03.042188Z",
"updated_at": "2022-09-04T14:38:03.042217Z",
"structure_string": "Sr1 Pr1 Mn1 O4\n1.0\n3.672986 -0.029491 -5.794793\n-0.334218 3.657868 -5.794793\n0.027137 0.029491 6.860737\nSr Pr Mn O\n1 1 1 4\ndirect\n0.642604 0.642604 0.000001 Sr\n0.359777 0.359777 0.000001 Pr\n0.003127 0.003127 0.000000 Mn\n0.834899 0.834899 0.000002 O\n0.172131 0.172131 0.000000 O\n0.993732 0.493731 0.500002 O\n0.493731 0.993732 0.500002 O\n",
"nsites": 7,
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"volume": 93.3730808976606,
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{
"id": "jvasp-21161",
"created_at": "2022-09-04T14:37:49.798841Z",
"updated_at": "2022-09-04T14:37:49.798868Z",
"structure_string": "K2 Li2 Be2 F8\n1.0\n2.527103 -4.377071 -0.000000\n2.527103 4.377071 0.000000\n-0.000000 -0.000000 8.650791\nK Li Be F\n2 2 2 8\ndirect\n0.000000 0.000000 0.502184 K\n0.000000 0.000000 0.002185 K\n0.666666 0.333332 0.696574 Li\n0.333332 0.666666 0.196574 Li\n0.333332 0.666666 0.804110 Be\n0.666666 0.333332 0.304110 Be\n0.335127 0.372821 0.748523 F\n0.962304 0.335126 0.248523 F\n0.333332 0.666666 0.985560 F\n0.666666 0.333332 0.485560 F\n0.037694 0.664873 0.748523 F\n0.664872 0.627178 0.248523 F\n0.372821 0.037694 0.248523 F\n0.627178 0.962304 0.748523 F\n",
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{
"id": "jvasp-40675",
"created_at": "2022-09-04T14:37:57.744731Z",
"updated_at": "2022-09-04T14:37:57.744763Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.884203 -0.000000 0.000000\n0.000000 6.217230 0.000000\n0.000000 0.000000 9.110425\nLi Fe Si O\n4 4 4 16\ndirect\n0.976560 0.250000 0.665879 Li\n0.523439 0.250000 0.165878 Li\n0.476560 0.750000 0.834122 Li\n0.023440 0.750000 0.334122 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.027251 0.250000 0.321975 Si\n0.472749 0.250000 0.821975 Si\n0.527250 0.750000 0.178025 Si\n0.972749 0.750000 0.678026 Si\n0.176874 0.032672 0.384455 O\n0.176874 0.467328 0.384455 O\n0.323126 0.032672 0.884455 O\n0.323126 0.467328 0.884455 O\n0.300745 0.750000 0.630841 O\n0.603080 0.750000 0.358328 O\n0.396919 0.250000 0.641673 O\n0.800745 0.250000 0.869159 O\n0.823125 0.532672 0.615546 O\n0.823125 0.967328 0.615546 O\n0.676874 0.532672 0.115545 O\n0.676874 0.967328 0.115545 O\n0.199255 0.750000 0.130841 O\n0.103080 0.250000 0.141673 O\n0.699254 0.250000 0.369159 O\n0.896919 0.750000 0.858328 O\n",
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{
"id": "jvasp-47126",
"created_at": "2022-09-04T14:38:03.503004Z",
"updated_at": "2022-09-04T14:38:03.503027Z",
"structure_string": "Li2 Cr2 Si2 O8\n1.0\n-4.059549 4.022002 0.117923\n4.059549 0.117923 4.022002\n-0.000000 3.904079 -3.904079\nLi Cr Si O\n2 2 2 8\ndirect\n0.995937 0.004061 0.004062 Li\n0.254061 0.745937 0.245938 Li\n0.624999 0.874999 0.625000 Cr\n0.125000 0.375000 0.625000 Cr\n0.624999 0.374999 0.625000 Si\n0.624999 0.374999 0.125000 Si\n0.844390 0.155610 0.893175 O\n0.844390 0.155610 0.418045 O\n0.420388 0.161781 0.870698 O\n0.838217 0.579611 0.870698 O\n0.411781 0.170388 0.379303 O\n0.829611 0.588217 0.379303 O\n0.405609 0.594390 0.356825 O\n0.405609 0.594390 0.831955 O\n",
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"formula_full": "Li2 Cr2 Si2 O8",
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{
"id": "jvasp-44131",
"created_at": "2022-09-04T14:38:01.629761Z",
"updated_at": "2022-09-04T14:38:01.629778Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.014000 0.000000 0.000000\n0.000000 6.332896 0.000000\n0.000000 0.000000 10.686587\nLi Co Si O\n4 4 4 16\ndirect\n0.759197 0.014294 0.160281 Li\n0.759197 0.485706 0.660281 Li\n0.259197 0.514295 0.339720 Li\n0.259197 0.985706 0.839720 Li\n0.258867 0.226793 0.585984 Co\n0.258867 0.273207 0.085984 Co\n0.758867 0.726793 0.914016 Co\n0.758867 0.773207 0.414016 Co\n0.763346 0.984050 0.670834 Si\n0.763346 0.515951 0.170834 Si\n0.263345 0.484050 0.829166 Si\n0.263345 0.015951 0.329166 Si\n0.130217 0.799833 0.389289 O\n0.697014 0.771333 0.585437 O\n0.697014 0.728668 0.085437 O\n0.130217 0.700167 0.889289 O\n0.090388 0.488140 0.175796 O\n0.647311 0.546790 0.314574 O\n0.147311 0.453210 0.685427 O\n0.590388 0.988141 0.324204 O\n0.630217 0.299833 0.110711 O\n0.197014 0.271332 0.914564 O\n0.197014 0.228668 0.414563 O\n0.630217 0.200167 0.610712 O\n0.090388 0.011860 0.675797 O\n0.147311 0.046790 0.185427 O\n0.590388 0.511860 0.824204 O\n0.647311 0.953211 0.814574 O\n",
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{
"id": "jvasp-40166",
"created_at": "2022-09-04T14:37:57.934130Z",
"updated_at": "2022-09-04T14:37:57.934161Z",
"structure_string": "K4 P4 Pd4 S16\n1.0\n8.634936 -0.000000 0.000000\n0.000000 8.634936 0.000000\n0.000000 0.000000 10.397816\nK P Pd S\n4 4 4 16\ndirect\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.749234 0.749234 0.000000 P\n0.250766 0.250766 0.000000 P\n0.249234 0.750767 0.500000 P\n0.750767 0.249234 0.500000 P\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.228838 0.512581 0.500000 S\n0.771162 0.487419 0.500000 S\n0.012581 0.271162 0.000000 S\n0.987419 0.728838 0.000000 S\n0.487419 0.771162 0.500000 S\n0.512581 0.228838 0.500000 S\n0.857219 0.142781 0.653096 S\n0.642781 0.642781 0.153096 S\n0.357219 0.357219 0.846905 S\n0.642781 0.642781 0.846905 S\n0.857219 0.142781 0.346905 S\n0.142781 0.857219 0.346905 S\n0.271162 0.012581 0.000000 S\n0.357219 0.357219 0.153096 S\n0.142781 0.857219 0.653096 S\n0.728838 0.987419 0.000000 S\n",
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{
"id": "jvasp-40654",
"created_at": "2022-09-04T14:38:02.945838Z",
"updated_at": "2022-09-04T14:38:02.945866Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 8.195386 0.038832\n5.273883 0.000000 0.000000\n0.000000 -2.385931 -8.043097\nLi Mn P O\n4 4 4 16\ndirect\n0.134980 0.335264 0.792171 Li\n0.630850 0.825590 0.613015 Li\n0.134980 0.664735 0.292171 Li\n0.630850 0.174410 0.113014 Li\n0.032066 0.836582 0.920052 Mn\n0.507842 0.322120 0.728417 Mn\n0.032066 0.163418 0.420052 Mn\n0.507842 0.677879 0.228417 Mn\n0.260993 0.180147 0.167944 P\n0.749987 0.327561 0.493460 P\n0.260993 0.819852 0.667944 P\n0.749987 0.672439 0.993460 P\n0.422789 0.315747 0.153666 O\n0.770725 0.201653 0.332201 O\n0.295503 0.892564 0.211837 O\n0.196921 0.310179 0.304819 O\n0.681349 0.602221 0.454812 O\n0.933650 0.316106 0.613592 O\n0.622530 0.177750 0.562925 O\n0.681349 0.397779 0.954812 O\n0.422789 0.684252 0.653666 O\n0.770725 0.798346 0.832201 O\n0.295504 0.107435 0.711837 O\n0.196921 0.689820 0.804820 O\n0.622530 0.822249 0.062924 O\n0.121019 0.191493 0.997294 O\n0.121019 0.808506 0.497294 O\n0.933650 0.683894 0.113592 O\n",
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{
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"created_at": "2022-09-04T14:37:55.941431Z",
"updated_at": "2022-09-04T14:37:55.941443Z",
"structure_string": "Li1 V1 B1 O4\n1.0\n3.994033 -0.035106 -2.695924\n-1.147165 3.825904 -2.695924\n0.026364 0.035106 4.818673\nLi V B O\n1 1 1 4\ndirect\n0.500000 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.250000 0.749999 0.500000 B\n0.159204 0.697122 0.122210 O\n0.963004 0.840794 0.537917 O\n0.574912 0.036995 0.877790 O\n0.302877 0.425086 0.462083 O\n",
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"formula_full": "Li1 V1 B1 O4",
"formula_reduced": "LiVBO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-48192",
"created_at": "2022-09-04T14:38:03.649945Z",
"updated_at": "2022-09-04T14:38:03.649971Z",
"structure_string": "Li3 Co3 Si3 O12\n1.0\n2.667442 -4.620146 -0.000000\n2.667442 4.620146 0.000000\n0.000000 0.000000 12.062891\nLi Co Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n-0.000000 0.500000 0.833333 Co\n0.500000 0.500000 0.166667 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.333333 Si\n0.500000 0.500000 0.666667 Si\n0.500000 -0.000000 0.000000 Si\n0.814060 0.608901 0.259130 O\n0.794840 0.608901 0.740870 O\n0.391098 0.185939 0.074204 O\n0.391098 0.205159 0.592463 O\n0.608901 0.794840 0.592463 O\n0.205159 0.814061 0.925796 O\n0.205159 0.391098 0.740870 O\n0.185939 0.391098 0.259130 O\n0.794841 0.185939 0.925796 O\n0.185939 0.794841 0.407537 O\n0.608901 0.814060 0.074204 O\n0.814061 0.205159 0.407537 O\n",
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"formula_full": "Li3 Co3 Si3 O12",
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},
{
"id": "jvasp-57444",
"created_at": "2022-09-04T14:37:49.413460Z",
"updated_at": "2022-09-04T14:37:49.413479Z",
"structure_string": "Li3 Al3 Si3 O12\n1.0\n2.672992 -4.629758 0.000000\n2.672992 4.629758 -0.000000\n0.000000 0.000000 11.089733\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.833333 Al\n-0.000000 0.500000 0.166667 Al\n0.500000 -0.000000 0.500000 Al\n-0.000000 0.500000 0.666667 Si\n0.500000 -0.000000 0.000000 Si\n0.500000 0.500000 0.333333 Si\n0.213666 0.815378 0.084606 O\n0.213666 0.398288 0.248727 O\n0.398288 0.184622 0.915394 O\n0.184622 0.398288 0.751273 O\n0.815378 0.601712 0.751273 O\n0.601712 0.786333 0.417939 O\n0.398288 0.213666 0.417939 O\n0.184621 0.786334 0.582061 O\n0.815378 0.213666 0.582061 O\n0.786334 0.184621 0.084606 O\n0.786333 0.601712 0.248727 O\n0.601712 0.815378 0.915394 O\n",
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],
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"density_atomic": 0.07650895307487621,
"volume": 274.4776807944052,
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"formula_full": "Li3 Al3 Si3 O12",
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"formula_anonymous": "ABCD4",
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}
]
}