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{
"id": "jvasp-10065",
"created_at": "2022-09-04T14:38:14.904041Z",
"updated_at": "2022-09-04T14:38:14.904071Z",
"structure_string": "Ca2 Mo4 O8\n1.0\n6.206918 -0.511633 -0.279658\n2.660373 5.631165 -0.279658\n2.727424 1.574679 4.453864\nCa Mo O\n2 4 8\ndirect\n0.125000 0.625000 0.624999 Ca\n0.625000 0.125001 0.624999 Ca\n0.044534 0.044535 0.955464 Mo\n0.205465 0.205465 0.294534 Mo\n0.625000 0.625000 0.124999 Mo\n0.625000 0.625000 0.624999 Mo\n0.390919 0.390919 0.339136 O\n0.412338 0.872580 0.357540 O\n0.390919 0.390919 0.879025 O\n0.872580 0.412339 0.357540 O\n0.377420 0.837662 0.892458 O\n0.837662 0.377421 0.892458 O\n0.859081 0.859081 0.370972 O\n0.859081 0.859081 0.910861 O\n",
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"structure_string": "K4 Ti2 Si6 O18\n1.0\n7.572172 -0.019698 1.002666\n0.876080 7.521347 1.002666\n-0.022184 -0.019698 7.638236\nK Ti Si O\n4 2 6 18\ndirect\n0.774899 0.222247 0.991061 K\n0.991059 0.774899 0.222248 K\n0.222247 0.991060 0.774900 K\n0.501133 0.501133 0.501134 K\n0.219052 0.219052 0.219052 Ti\n0.740406 0.740406 0.740407 Ti\n0.441840 0.542382 0.018821 Si\n0.018821 0.441840 0.542382 Si\n0.542382 0.018820 0.441840 Si\n0.887929 0.101373 0.511287 Si\n0.511286 0.887929 0.101374 Si\n0.101374 0.511286 0.887929 Si\n0.246853 0.627945 0.949528 O\n0.005719 0.105046 0.317523 O\n0.430858 0.343947 0.120532 O\n0.120532 0.430858 0.343947 O\n0.676066 0.162145 0.479887 O\n0.550916 0.846656 0.590745 O\n0.631856 0.906362 0.911308 O\n0.590744 0.550916 0.846656 O\n0.479887 0.676066 0.162146 O\n0.911307 0.631855 0.906363 O\n0.846656 0.590744 0.550917 O\n0.627945 0.949527 0.246853 O\n0.949527 0.246852 0.627946 O\n0.343947 0.120531 0.430858 O\n0.162146 0.479887 0.676067 O\n0.105046 0.317523 0.005720 O\n0.906362 0.911307 0.631856 O\n0.317523 0.005719 0.105047 O\n",
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"formula_full": "K4 Ti2 Si6 O18",
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{
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"created_at": "2022-09-04T14:38:14.909594Z",
"updated_at": "2022-09-04T14:38:14.909622Z",
"structure_string": "Tm1 Te1\n1.0\n3.734729 0.000000 0.000000\n0.000000 3.734729 0.000000\n-0.000000 0.000000 3.734557\nTm Te\n1 1\ndirect\n0.000000 0.000000 0.850005 Tm\n0.500000 0.500000 0.349996 Te\n",
"nsites": 2,
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},
{
"id": "jvasp-55292",
"created_at": "2022-09-04T14:38:14.910273Z",
"updated_at": "2022-09-04T14:38:14.910301Z",
"structure_string": "Li2 Cr2 Si4 O12\n1.0\n5.149084 0.006831 1.375723\n1.549837 6.249938 0.703486\n0.015434 -0.003337 6.477527\nLi Cr Si O\n2 2 4 12\ndirect\n0.749999 0.255293 0.744707 Li\n0.250000 0.744707 0.255294 Li\n0.750000 0.908521 0.091479 Cr\n0.249999 0.091479 0.908521 Cr\n0.763765 0.792639 0.609098 Si\n0.236234 0.207361 0.390902 Si\n0.263766 0.609098 0.792640 Si\n0.736234 0.390902 0.207361 Si\n0.051243 0.641664 0.642317 O\n0.551242 0.642316 0.641665 O\n0.147017 0.799135 0.970729 O\n0.170647 0.106099 0.631928 O\n0.852982 0.200865 0.029272 O\n0.948756 0.358335 0.357684 O\n0.352982 0.029272 0.200865 O\n0.829352 0.893900 0.368073 O\n0.670648 0.631928 0.106100 O\n0.329352 0.368072 0.893901 O\n0.448757 0.357684 0.358336 O\n0.647017 0.970728 0.799136 O\n",
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{
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"created_at": "2022-09-04T14:38:14.911573Z",
"updated_at": "2022-09-04T14:38:14.911599Z",
"structure_string": "C6 N8\n1.0\n4.448794 0.000000 -1.572886\n-2.224397 3.852769 -1.572886\n-0.000000 -0.000000 4.718658\nC N\n6 8\ndirect\n0.250000 0.125000 0.875000 C\n0.874999 0.250000 0.124999 C\n0.624999 0.750000 0.374999 C\n0.374999 0.625000 0.749999 C\n0.124999 0.875000 0.249999 C\n0.749999 0.375000 0.624999 C\n0.567145 0.567146 0.567144 N\n0.432854 0.500000 -0.000001 N\n-0.000000 0.432855 0.500000 N\n0.500000 0.000000 0.432854 N\n-0.000000 0.932855 0.499999 N\n0.500000 0.000000 0.932854 N\n0.932853 0.500000 -0.000002 N\n0.067145 0.067146 0.067145 N\n",
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{
"id": "jvasp-57350",
"created_at": "2022-09-04T14:38:14.912086Z",
"updated_at": "2022-09-04T14:38:14.912104Z",
"structure_string": "Na2 Ni2 As2 O8\n1.0\n4.802576 -0.002176 7.991028\n2.214882 4.261342 7.991028\n-0.003585 -0.002176 9.323156\nNa Ni As O\n2 2 2 8\ndirect\n0.713130 0.713127 0.713129 Na\n0.286872 0.286871 0.286872 Na\n0.835578 0.835574 0.835576 Ni\n0.164425 0.164424 0.164424 Ni\n0.433890 0.433888 0.433889 As\n0.566113 0.566110 0.566112 As\n0.463728 0.783729 0.115572 O\n0.536274 0.216269 0.884429 O\n0.115572 0.463727 0.783730 O\n0.783731 0.115570 0.463728 O\n0.370603 0.370602 0.370603 O\n0.216271 0.884428 0.536273 O\n0.629399 0.629396 0.629398 O\n0.884430 0.536271 0.216271 O\n",
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{
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"created_at": "2022-09-04T14:38:14.916261Z",
"updated_at": "2022-09-04T14:38:14.916282Z",
"structure_string": "Dy1 Hg2\n1.0\n2.468387 -4.275371 0.000000\n2.468387 4.275371 0.000000\n-0.000000 0.000000 3.385195\nDy Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333334 0.666668 0.500001 Hg\n0.666668 0.333334 0.500001 Hg\n",
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{
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"created_at": "2022-09-04T14:38:14.919234Z",
"updated_at": "2022-09-04T14:38:14.919245Z",
"structure_string": "Li3 Mn4 O8\n1.0\n-0.000000 4.010872 4.010872\n4.010872 -0.000000 4.010872\n4.142272 4.142272 -0.131400\nLi Mn O\n3 4 8\ndirect\n0.144830 0.144830 0.065508 Li\n-0.000000 -0.000000 0.500000 Li\n0.855169 0.855169 0.934491 Li\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.724597 0.256322 0.262758 O\n0.256322 0.256322 0.262758 O\n0.256322 0.724597 0.262758 O\n0.266726 0.266726 0.699820 O\n0.743677 0.275403 0.737241 O\n0.733273 0.733273 0.300179 O\n0.743677 0.743677 0.737241 O\n0.275403 0.743677 0.737241 O\n",
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{
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"created_at": "2022-09-04T14:38:14.919227Z",
"updated_at": "2022-09-04T14:38:14.919255Z",
"structure_string": "Rb2 Li2 Cr2 O8\n1.0\n2.690078 -4.659352 -0.000000\n2.690078 4.659352 -0.000000\n0.000000 0.000000 9.213122\nRb Li Cr O\n2 2 2 8\ndirect\n0.000000 0.000000 0.494469 Rb\n0.000000 0.000000 0.994469 Rb\n0.666667 0.333333 0.680383 Li\n0.333333 0.666667 0.180383 Li\n0.333333 0.666667 0.791531 Cr\n0.666667 0.333333 0.291531 Cr\n0.619683 0.965250 0.734360 O\n0.034751 0.654433 0.734360 O\n0.345567 0.380318 0.734360 O\n0.965250 0.619683 0.234360 O\n0.666667 0.333333 0.471939 O\n0.333333 0.666667 0.971938 O\n0.380318 0.345567 0.234360 O\n0.654433 0.034751 0.234360 O\n",
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{
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"updated_at": "2022-09-04T14:38:14.928269Z",
"structure_string": "Li12 Be6 F24\n1.0\n7.864062 0.001298 -2.519110\n-3.452506 7.065669 -2.519108\n0.000811 0.001297 8.257687\nLi Be F\n12 6 24\ndirect\n0.275620 0.102056 0.877010 Li\n0.102055 0.877010 0.275620 Li\n0.877009 0.275620 0.102056 Li\n0.724380 0.897945 0.122990 Li\n0.897944 0.122991 0.724381 Li\n0.122990 0.724381 0.897945 Li\n0.611999 0.438875 0.203643 Li\n0.438874 0.203643 0.612000 Li\n0.203642 0.612000 0.438875 Li\n0.388000 0.561126 0.796358 Li\n0.561125 0.796358 0.388000 Li\n0.796357 0.388001 0.561126 Li\n0.461694 0.053450 0.234010 Be\n0.234009 0.461694 0.053449 Be\n0.053449 0.234010 0.461694 Be\n0.538306 0.946551 0.765990 Be\n0.765990 0.538307 0.946551 Be\n0.946550 0.765991 0.538306 Be\n0.036188 0.362988 0.356717 F\n0.643283 0.963813 0.637012 F\n0.637012 0.643284 0.963812 F\n0.963812 0.637013 0.643284 F\n0.573068 0.930162 0.243314 F\n0.243314 0.573069 0.930162 F\n0.930161 0.243315 0.573068 F\n0.426932 0.069839 0.756686 F\n0.756685 0.426932 0.069839 F\n0.069838 0.756686 0.426932 F\n0.307448 0.975316 0.026699 F\n0.267225 0.311531 0.603993 F\n0.975315 0.026700 0.307449 F\n0.692551 0.024685 0.973301 F\n0.973300 0.692552 0.024684 F\n0.024684 0.973301 0.692552 F\n0.732775 0.688470 0.396007 F\n0.688469 0.396007 0.732775 F\n0.396006 0.732776 0.688469 F\n0.362988 0.356717 0.036188 F\n0.311530 0.603993 0.267225 F\n0.603993 0.267225 0.311531 F\n0.026699 0.307449 0.975316 F\n0.356717 0.036188 0.362988 F\n",
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{
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"created_at": "2022-09-04T14:38:14.930994Z",
"updated_at": "2022-09-04T14:38:14.931015Z",
"structure_string": "Er1 Al3\n1.0\n4.242175 -0.000000 -0.000000\n0.000000 4.242175 -0.000000\n0.000000 0.000000 4.242175\nEr Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.500001 0.500001 Al\n0.500001 0.500001 0.000000 Al\n0.500001 0.000000 0.500001 Al\n",
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{
"id": "jvasp-41087",
"created_at": "2022-09-04T14:38:14.931345Z",
"updated_at": "2022-09-04T14:38:14.931359Z",
"structure_string": "Ho1 Cd1 Pd2\n1.0\n0.000000 3.369784 3.369784\n3.369784 0.000000 3.369784\n3.369784 3.369784 0.000000\nHo Cd Pd\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Ho\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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}
]
}