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{
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"structure_string": "Co2 P2 O8 F2\n1.0\n4.818226 -0.095904 -1.476706\n-1.148590 4.527606 -1.578502\n0.042640 0.007834 6.908938\nCo P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.354404 0.682772 0.236087 P\n0.645597 0.317229 0.763914 P\n0.660738 0.086793 0.872414 O\n0.785539 0.630021 0.947524 O\n0.784534 0.260565 0.586877 O\n0.328681 0.313475 0.658397 O\n0.214462 0.369980 0.052477 O\n0.215467 0.739436 0.413123 O\n0.671320 0.686526 0.341604 O\n0.339263 0.913208 0.127586 O\n0.049260 0.864010 0.730791 F\n0.950741 0.135991 0.269209 F\n",
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{
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{
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"updated_at": "2022-09-04T14:38:50.180455Z",
"structure_string": "Co3 Sb1 P4 O16\n1.0\n5.759717 -0.000000 0.000000\n0.000000 4.735011 -0.027772\n-0.000000 -0.085290 9.732297\nCo Sb P O\n3 1 4 16\ndirect\n-0.000000 0.059961 0.268830 Co\n-0.000000 0.433582 0.776314 Co\n0.500000 0.586540 0.233897 Co\n0.500000 0.933681 0.714953 Sb\n0.500000 0.134938 0.406513 P\n0.500000 0.366426 0.917792 P\n-0.000000 0.619181 0.096114 P\n-0.000000 0.878614 0.573822 P\n0.792507 0.717833 0.653625 O\n0.500000 0.814729 0.404839 O\n0.500000 0.683961 0.882107 O\n0.207043 0.783579 0.170750 O\n0.792957 0.783579 0.170750 O\n-0.000000 0.671011 0.941286 O\n0.500000 0.328082 0.069165 O\n-0.000000 0.188368 0.610240 O\n0.293209 0.208351 0.838286 O\n-0.000000 0.299653 0.115762 O\n0.207493 0.717833 0.653625 O\n0.715274 0.274775 0.337381 O\n0.284727 0.274775 0.337381 O\n0.500000 0.225232 0.565513 O\n0.706792 0.208351 0.838286 O\n-0.000000 0.806959 0.422775 O\n",
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"formula_full": "Co3 Sb1 P4 O16",
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{
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"updated_at": "2022-09-04T14:35:58.415491Z",
"structure_string": "Co5 Se4 Cl2 O12\n1.0\n6.255864 -0.067270 1.942198\n0.298821 6.925413 3.075672\n0.131072 -0.081947 7.763445\nCo Se Cl O\n5 4 2 12\ndirect\n0.117604 0.697251 0.429543 Co\n0.882395 0.302748 0.570457 Co\n0.000000 0.000000 0.000000 Co\n0.676405 0.123164 0.349579 Co\n0.323594 0.876835 0.650421 Co\n0.656264 0.684407 0.315959 Se\n0.343734 0.315591 0.684041 Se\n0.783988 0.830211 0.786282 Se\n0.216011 0.169788 0.213718 Se\n0.189127 0.671415 0.007233 Cl\n0.810872 0.328584 0.992767 Cl\n0.417156 0.693521 0.492849 O\n0.734836 0.923230 0.217271 O\n0.172757 0.950158 0.203221 O\n0.359203 0.106491 0.384259 O\n0.163783 0.413595 0.540194 O\n0.582843 0.306478 0.507151 O\n0.836216 0.586404 0.459806 O\n0.958630 0.196206 0.364077 O\n0.827242 0.049841 0.796779 O\n0.041369 0.803793 0.635923 O\n0.265163 0.076769 0.782729 O\n0.640796 0.893508 0.615741 O\n",
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"density_atomic": 0.06840310310169949,
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"formula_reduced": "Co5Se4(ClO6)2",
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{
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"structure_string": "Co1 Si1 Cu2 S4\n1.0\n4.734308 -0.000000 -2.151971\n-0.978174 4.632154 -2.151971\n0.055151 0.068014 6.405027\nCo Si Cu S\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500001 0.500000 0.000000 Si\n0.750000 0.249999 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n0.138810 0.621944 0.760755 S\n0.621945 0.138809 0.760755 S\n0.861192 0.861190 0.239246 S\n0.378055 0.378054 0.239246 S\n",
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"density_atomic": 0.05639824543629744,
"volume": 141.84838443309562,
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"formula_full": "Co1 Si1 Cu2 S4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 121
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{
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"created_at": "2022-09-04T14:38:26.559963Z",
"updated_at": "2022-09-04T14:38:26.559992Z",
"structure_string": "Co1 Sn3 P4 O16\n1.0\n4.984988 0.047410 -0.000236\n-0.022200 10.009237 -0.000167\n0.000526 0.000098 6.050121\nCo Sn P O\n1 3 4 16\ndirect\n0.105540 0.723050 0.750011 Co\n0.405871 0.217066 0.749982 Sn\n0.599363 0.783235 0.250001 Sn\n0.903348 0.288306 0.249942 Sn\n0.168031 0.599685 0.250023 P\n0.383589 0.072027 0.250000 P\n0.631402 0.911938 0.749999 P\n0.815142 0.417308 0.749980 P\n0.638984 0.355850 0.555808 O\n0.859624 0.625391 0.249996 O\n0.685471 0.079608 0.250016 O\n0.782298 0.843679 0.951910 O\n0.782291 0.843678 0.548080 O\n0.691119 0.065464 0.749997 O\n0.297094 0.923899 0.250009 O\n0.094770 0.349114 0.750049 O\n0.248918 0.144911 0.045561 O\n0.332275 0.888997 0.750015 O\n0.638878 0.355884 0.944130 O\n0.308390 0.673444 0.451192 O\n0.308414 0.673422 0.048833 O\n0.226061 0.452546 0.250069 O\n0.248879 0.144928 0.454421 O\n0.844261 0.566573 0.749963 O\n",
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"formula_full": "Co1 Sn3 P4 O16",
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{
"id": "jvasp-116799",
"created_at": "2022-09-04T14:38:33.705150Z",
"updated_at": "2022-09-04T14:38:33.705179Z",
"structure_string": "Co4 Te2 Cl4 O6\n1.0\n6.680461 0.000000 0.000000\n-0.000000 4.902350 1.281448\n-0.000000 0.046885 8.008746\nCo Te Cl O\n4 2 4 6\ndirect\n0.250000 0.747626 0.803016 Co\n0.750000 0.252373 0.196984 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.750000 0.602366 0.735350 Te\n0.250000 0.397632 0.264651 Te\n0.250000 0.840123 0.499568 Cl\n0.250000 0.266627 0.793854 Cl\n0.750000 0.733372 0.206147 Cl\n0.750000 0.159876 0.500433 Cl\n0.038574 0.235445 0.163220 O\n0.538574 0.764553 0.836781 O\n0.961426 0.764553 0.836781 O\n0.750000 0.256739 0.922147 O\n0.250000 0.743260 0.077854 O\n0.461426 0.235445 0.163220 O\n",
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"density_atomic": 0.06109558241170665,
"volume": 261.8847282963982,
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"formula_full": "Co4 Te2 Cl4 O6",
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{
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"created_at": "2022-09-04T14:37:01.297546Z",
"updated_at": "2022-09-04T14:37:01.297577Z",
"structure_string": "Co2 Te2 Mo2 O12\n1.0\n0.000022 5.056775 -0.000632\n5.279773 0.000023 0.000003\n-0.000006 -0.001111 -8.844127\nCo Te Mo O\n2 2 2 12\ndirect\n0.750001 0.000007 0.528047 Co\n0.249999 0.500005 0.471954 Co\n0.750007 0.500008 0.749977 Te\n0.249992 0.000008 0.250024 Te\n0.749995 0.500008 0.191931 Mo\n0.250003 0.000009 0.808067 Mo\n0.014104 0.323400 0.295692 O\n0.524782 0.677865 0.607619 O\n0.901233 0.715184 0.073535 O\n0.598764 0.284833 0.073537 O\n0.975234 0.322136 0.607626 O\n0.985893 0.823398 0.704309 O\n0.024764 0.822137 0.392376 O\n0.401236 0.784831 0.926463 O\n0.475216 0.177866 0.392383 O\n0.514126 0.176611 0.704316 O\n0.098765 0.215183 0.926464 O\n0.485872 0.676611 0.295683 O\n",
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"formula_full": "Co2 Te2 Mo2 O12",
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"formula_anonymous": "ABCD6",
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{
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"created_at": "2022-09-04T14:38:27.522516Z",
"updated_at": "2022-09-04T14:38:27.522536Z",
"structure_string": "Co1 Te1 Pb2 O6\n1.0\n4.892260 0.000000 2.824548\n1.630753 4.612467 2.824548\n-0.000000 -0.000000 5.649095\nCo Te Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500001 Te\n0.749999 0.750000 0.750001 Pb\n0.250000 0.250000 0.250000 Pb\n0.755078 0.244922 0.755079 O\n0.244921 0.755079 0.244922 O\n0.244921 0.755079 0.755079 O\n0.244921 0.244922 0.755079 O\n0.755078 0.244922 0.244922 O\n0.755078 0.755079 0.244923 O\n",
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"formula_full": "Co1 Te1 Pb2 O6",
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"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:36:46.955809Z",
"updated_at": "2022-09-04T14:36:46.955845Z",
"structure_string": "Co1 Te1 Pb2 O6\n1.0\n4.930731 -0.000857 -2.846318\n-3.286697 4.648790 -0.000661\n-0.000606 0.000857 5.693297\nCo Te Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.500000 Te\n0.499999 0.750000 0.250000 Pb\n0.499999 0.250000 0.750000 Pb\n-0.000001 0.744945 0.744945 O\n-0.000000 0.255055 0.255055 O\n0.489931 0.744966 0.744965 O\n-0.000001 0.744966 0.255035 O\n0.510068 0.255034 0.255034 O\n-0.000000 0.255035 0.744966 O\n",
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"density_atomic": 0.0766369632298159,
"volume": 130.4853373431877,
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"formula_full": "Co1 Te1 Pb2 O6",
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"formula_anonymous": "ABC2D6",
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{
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"updated_at": "2022-09-04T14:36:00.923395Z",
"structure_string": "Cr2 Ag1 Bi1 O8\n1.0\n4.746238 0.000000 -1.870408\n-0.737095 4.688652 -1.870408\n-0.036164 -0.042294 6.865322\nCr Ag Bi O\n2 1 1 8\ndirect\n0.250001 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.750001 0.250000 0.500000 Ag\n0.500001 0.500000 -0.000000 Bi\n0.928994 0.543242 0.339678 O\n0.321658 0.207345 0.153182 O\n0.203565 0.071008 0.660322 O\n0.456759 0.589315 0.660322 O\n0.792657 0.168476 0.846818 O\n0.410686 0.796436 0.339678 O\n0.054163 0.678343 0.846818 O\n0.831527 0.945839 0.153182 O\n",
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"formula_full": "Cr2 Ag1 Bi1 O8",
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{
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"created_at": "2022-09-04T14:36:07.417113Z",
"updated_at": "2022-09-04T14:36:07.417147Z",
"structure_string": "Cr2 Ag1 Bi1 O8\n1.0\n4.746238 0.000000 -1.870408\n-0.737095 4.688652 -1.870408\n-0.036164 -0.042294 6.865322\nCr Ag Bi O\n2 1 1 8\ndirect\n0.250001 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.750001 0.250000 0.500000 Ag\n0.500001 0.500000 -0.000000 Bi\n0.928994 0.543242 0.339678 O\n0.321658 0.207345 0.153182 O\n0.203565 0.071008 0.660322 O\n0.456759 0.589315 0.660322 O\n0.792657 0.168476 0.846818 O\n0.410686 0.796436 0.339678 O\n0.054163 0.678343 0.846818 O\n0.831527 0.945839 0.153182 O\n",
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]
}