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{
"id": "jvasp-11545",
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"structure_string": "Mg2 Ni3 O8\n1.0\n4.626816 0.069154 -1.316744\n-0.830080 4.933471 -2.657662\n0.041528 -0.161424 5.724891\nMg Ni O\n2 3 8\ndirect\n0.640281 0.718240 0.436480 Mg\n0.359719 0.281761 0.563521 Mg\n0.500000 0.999998 0.000000 Ni\n1.000000 0.745894 0.000001 Ni\n1.000000 0.254104 0.000001 Ni\n0.064617 0.390594 0.781189 O\n0.935384 0.609404 0.218812 O\n0.097986 0.896725 0.793449 O\n0.902015 0.103273 0.206551 O\n0.390035 0.339594 0.226652 O\n0.390035 0.887057 0.226652 O\n0.609967 0.112941 0.773349 O\n0.609967 0.660406 0.773349 O\n",
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"structure_string": "Mg3 Mn1 O4\n1.0\n4.299160 0.000000 0.000000\n0.000000 4.299160 -0.000000\n-0.000000 0.000000 4.299160\nMg Mn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:19.794931Z",
"updated_at": "2022-09-04T14:37:19.794948Z",
"structure_string": "Li4 Cr3 Co3 Sn2 O16\n1.0\n5.778047 -0.029376 0.015144\n-2.890226 5.034179 0.004075\n-0.099460 -0.065086 9.589062\nLi Cr Co Sn O\n4 3 3 2 16\ndirect\n0.664067 0.332025 0.892078 Li\n0.007946 0.003911 0.993932 Li\n0.005118 0.002610 0.495394 Li\n0.331558 0.665776 0.398044 Li\n0.830148 0.172122 0.215395 Cr\n0.830150 0.657963 0.215398 Cr\n0.657406 0.828718 0.715142 Cr\n0.171339 0.339708 0.714595 Co\n0.171341 0.831645 0.714597 Co\n0.341793 0.170864 0.214720 Co\n0.664110 0.332069 0.495730 Sn\n0.330332 0.665125 0.990886 Sn\n0.684453 0.842187 0.102284 O\n0.158205 0.315875 0.103339 O\n0.327592 0.663794 0.608883 O\n0.483491 0.969685 0.834231 O\n0.483513 0.513805 0.834212 O\n0.312790 0.156399 0.605407 O\n0.512755 0.481889 0.334634 O\n0.969943 0.484943 0.336854 O\n0.842616 0.686996 0.603114 O\n0.004809 0.002417 0.806893 O\n0.003996 0.001970 0.307471 O\n0.665324 0.332630 0.105342 O\n0.031614 0.515816 0.828132 O\n0.842597 0.155654 0.603133 O\n0.512773 0.030844 0.334643 O\n0.158213 0.842244 0.103354 O\n",
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{
"id": "jvasp-44605",
"created_at": "2022-09-04T14:38:29.544978Z",
"updated_at": "2022-09-04T14:38:29.545008Z",
"structure_string": "Mn5 Fe3 O16\n1.0\n-5.623940 -0.000799 0.000639\n2.811331 4.876816 -0.047544\n-0.001012 -0.008790 -8.692479\nMn Fe O\n5 3 16\ndirect\n0.666314 0.332610 0.512237 Mn\n0.830355 0.660695 0.787844 Mn\n0.332714 0.665411 0.013100 Mn\n0.665955 0.833447 0.288905 Mn\n0.167513 0.833448 0.288907 Mn\n0.835488 0.167006 0.791010 Fe\n0.331530 0.167006 0.791012 Fe\n0.167585 0.335152 0.292833 Fe\n0.666723 0.835811 0.898600 O\n0.332646 0.665268 0.401660 O\n0.042105 0.520815 0.159705 O\n0.478728 0.520813 0.159704 O\n0.831179 0.662339 0.401051 O\n0.169515 0.339021 0.898517 O\n0.514896 0.475444 0.659743 O\n-0.000425 -0.000867 0.680359 O\n0.339568 0.169879 0.398952 O\n0.002440 0.004863 0.181449 O\n0.480295 0.960573 0.157637 O\n0.663485 0.326957 0.900635 O\n0.521599 0.043186 0.663117 O\n0.830329 0.169877 0.398952 O\n0.960562 0.475444 0.659741 O\n0.169098 0.835812 0.898603 O\n",
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{
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"created_at": "2022-09-04T14:36:47.943661Z",
"updated_at": "2022-09-04T14:36:47.943682Z",
"structure_string": "Li2 Te2 H2 O8\n1.0\n0.000000 4.577285 -0.504510\n6.065982 0.000000 0.000000\n0.000000 -0.378444 -4.967174\nLi Te H O\n2 2 2 8\ndirect\n0.539994 0.250001 0.472612 Li\n0.539994 0.749999 0.472612 Li\n0.001240 0.500000 0.991797 Te\n0.001238 0.000000 0.991798 Te\n0.069127 0.000000 0.515257 H\n0.069134 0.500000 0.515266 H\n0.232828 0.000000 0.649404 O\n0.232840 0.500000 0.649409 O\n0.246351 0.250001 0.118762 O\n0.246351 0.749998 0.118762 O\n0.777508 0.750002 0.835124 O\n0.777508 0.249997 0.835124 O\n0.787147 0.000000 0.317934 O\n0.787153 0.500000 0.317935 O\n",
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"formula_full": "Li2 Te2 H2 O8",
"formula_reduced": "LiTeHO4",
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{
"id": "jvasp-42914",
"created_at": "2022-09-04T14:37:28.039823Z",
"updated_at": "2022-09-04T14:37:28.039849Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n0.000000 5.680002 -0.000015\n5.729154 0.000000 0.000000\n0.000000 -0.000022 -7.937244\nLi V Si O\n2 4 4 16\ndirect\n0.685738 0.500000 0.249998 Li\n0.314262 0.500000 0.750000 Li\n0.000000 0.273491 0.000000 V\n0.000000 0.726507 0.500000 V\n0.721385 0.000000 0.249999 V\n0.278615 0.000000 0.749999 V\n0.238859 0.755702 0.121136 Si\n0.238859 0.244296 0.378865 Si\n0.761141 0.244296 0.621134 Si\n0.761141 0.755702 0.878863 Si\n0.485166 0.233172 0.272271 O\n0.228843 0.008222 0.505217 O\n0.228844 0.991776 0.994783 O\n0.230174 0.513557 0.010281 O\n0.230174 0.486441 0.489720 O\n0.485165 0.766828 0.227729 O\n0.514835 0.766828 0.772270 O\n0.771157 0.008222 0.494782 O\n0.769826 0.513557 0.989718 O\n0.769826 0.486441 0.510279 O\n0.771156 0.991776 0.005216 O\n0.003780 0.237382 0.248179 O\n0.996221 0.762617 0.748179 O\n0.996220 0.237382 0.751819 O\n0.514834 0.233172 0.727728 O\n0.003779 0.762617 0.251820 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:05.801824Z",
"updated_at": "2022-09-04T14:38:05.801853Z",
"structure_string": "Zn1 N1\n1.0\n2.708468 0.000000 0.000000\n0.000000 2.708468 0.000000\n0.000000 0.000000 2.708468\nZn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 N\n",
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{
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"created_at": "2022-09-04T14:38:06.140194Z",
"updated_at": "2022-09-04T14:38:06.140207Z",
"structure_string": "Tc1 N1\n1.0\n1.410709 -2.443420 0.000000\n1.410709 2.443420 0.000000\n-0.000000 -0.000000 2.882234\nTc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.666667 0.333333 0.499999 N\n",
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{
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"updated_at": "2022-09-04T14:37:57.647588Z",
"structure_string": "Li5 Cu1 F8\n1.0\n2.875560 1.611827 -4.712594\n-2.875560 5.131781 0.000574\n2.875560 -1.611827 4.712594\nLi Cu F\n5 1 8\ndirect\n0.141312 0.423934 0.282623 Li\n0.500000 0.000000 0.000000 Li\n0.000000 -0.000000 0.500000 Li\n0.858688 0.576065 0.717377 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Cu\n0.265707 0.265702 -0.000005 F\n0.266154 0.798462 0.532308 F\n0.734288 0.265703 -0.000005 F\n0.734293 0.734299 0.468585 F\n0.265707 0.265702 0.531414 F\n0.265713 0.734299 0.000005 F\n0.733846 0.201537 0.467691 F\n0.734293 0.734299 0.000005 F\n",
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{
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"structure_string": "Na4 Ti8 O12\n1.0\n2.566163 -4.444725 0.000000\n2.566163 4.444725 -0.000000\n-0.000000 0.000000 10.452792\nNa Ti O\n4 8 12\ndirect\n0.666667 0.333332 0.999980 Na\n0.333332 0.666667 0.999980 Na\n0.333332 0.666667 0.499988 Na\n0.666667 0.333332 0.499988 Na\n0.662842 0.662842 0.249996 Ti\n-0.000000 0.337158 0.249996 Ti\n0.000000 0.000000 0.500055 Ti\n-0.000001 0.662837 0.749988 Ti\n0.662837 -0.000001 0.749988 Ti\n0.337162 0.337162 0.749988 Ti\n0.337158 -0.000000 0.249996 Ti\n0.000000 0.000000 0.000068 Ti\n-0.000001 0.684551 0.127151 O\n0.315444 -0.000000 0.627136 O\n0.315360 -0.000000 0.872844 O\n0.684551 -0.000001 0.127151 O\n0.684621 -0.000001 0.372858 O\n0.315449 0.315449 0.127151 O\n0.315378 0.315378 0.372858 O\n0.684555 0.684555 0.627136 O\n0.684640 0.684640 0.872844 O\n-0.000000 0.315444 0.627136 O\n-0.000000 0.315360 0.872844 O\n-0.000001 0.684621 0.372858 O\n",
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{
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"structure_string": "Li2 Fe4 F12\n1.0\n4.497133 -0.000000 0.000000\n0.000000 4.497133 0.000000\n0.000000 0.000000 8.842729\nLi Fe F\n2 4 12\ndirect\n0.000000 0.000000 0.667436 Li\n0.500000 0.500000 0.167436 Li\n0.000000 0.000000 0.336794 Fe\n0.500000 0.500000 0.836794 Fe\n0.000000 0.000000 0.998122 Fe\n0.500000 0.500000 0.498122 Fe\n0.200461 0.799538 0.835829 F\n0.299539 0.299539 0.335829 F\n0.700463 0.700463 0.999087 F\n0.799536 0.200464 0.499087 F\n0.200464 0.799536 0.499087 F\n0.191897 0.808102 0.167459 F\n0.308102 0.308102 0.667459 F\n0.799538 0.200461 0.835829 F\n0.808102 0.191897 0.167459 F\n0.691897 0.691897 0.667459 F\n0.299536 0.299536 0.999087 F\n0.700461 0.700461 0.335829 F\n",
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{
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"created_at": "2022-09-04T14:38:34.295129Z",
"updated_at": "2022-09-04T14:38:34.295155Z",
"structure_string": "Li4 Si4 N4 O4\n1.0\n4.785311 0.000000 0.000000\n0.000000 5.219618 0.000000\n0.000000 0.000000 6.365193\nLi Si N O\n4 4 4 4\ndirect\n0.997214 0.598415 0.387796 Li\n0.497214 0.401585 0.612203 Li\n0.497214 0.901585 0.387796 Li\n0.997214 0.098415 0.612203 Li\n0.511268 0.419579 0.121719 Si\n0.511268 0.919579 0.878281 Si\n0.011268 0.080421 0.121719 Si\n0.011268 0.580421 0.878281 Si\n0.147119 0.391523 0.086769 N\n0.647118 0.608477 0.913231 N\n0.647118 0.108477 0.086769 N\n0.147119 0.891523 0.913231 N\n0.594399 0.042374 0.653647 O\n0.094399 0.457626 0.653647 O\n0.094399 0.957626 0.346353 O\n0.594399 0.542374 0.346353 O\n",
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}
]
}