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{
"id": "jvasp-47895",
"created_at": "2022-09-04T14:36:50.255893Z",
"updated_at": "2022-09-04T14:36:50.255913Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n0.000000 5.663416 -0.000000\n2.706334 -2.831707 3.908007\n5.412668 0.000000 0.000000\nLi Co Si O\n2 2 2 8\ndirect\n-0.000000 0.500000 -0.000001 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.389789 0.279576 0.360211 Si\n0.610212 0.720425 0.639788 Si\n0.257695 0.015389 0.239749 O\n0.742306 0.984611 0.255138 O\n0.260609 0.506445 0.246777 O\n0.745837 0.506445 0.246777 O\n0.257695 0.015389 0.744861 O\n0.742306 0.984611 0.760250 O\n0.739392 0.493556 0.753223 O\n0.254164 0.493556 0.753223 O\n",
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{
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"structure_string": "Li2 Cr2 P2 O8\n1.0\n2.768720 4.040787 0.000000\n-2.768720 4.040787 0.000000\n0.000000 -0.000000 6.408696\nLi Cr P O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.207950 0.207950 0.250000 Cr\n0.792051 0.792051 0.750000 Cr\n0.144603 0.144603 0.750000 P\n0.855397 0.855397 0.250000 P\n0.196866 0.740894 0.250000 O\n0.259107 0.803134 0.750000 O\n0.743704 0.743704 0.054623 O\n0.256297 0.256297 0.554624 O\n0.256297 0.256297 0.945377 O\n0.743704 0.743704 0.445377 O\n0.740894 0.196866 0.250000 O\n0.803134 0.259107 0.750000 O\n",
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"formula_full": "Li2 Cr2 P2 O8",
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"spacegroup": 63
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{
"id": "jvasp-106732",
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"updated_at": "2022-09-04T14:36:50.281390Z",
"structure_string": "Sr1 La1 Ga1 O4\n1.0\n3.730521 0.020784 -5.787105\n-0.305893 3.718017 -5.787105\n-0.019038 -0.020784 6.885275\nSr La Ga O\n1 1 1 4\ndirect\n0.642266 0.642266 -0.000001 Sr\n0.358267 0.358266 -0.000000 La\n0.006809 0.006809 -0.000000 Ga\n0.994482 0.494482 0.499999 O\n0.494482 0.994483 0.500001 O\n0.834398 0.834398 -0.000001 O\n0.169297 0.169297 -0.000000 O\n",
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],
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"volume": 94.65066708321304,
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"formula_full": "Sr1 La1 Ga1 O4",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-50487",
"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",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.10066483743089429,
"volume": 139.07537485083512,
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"formula_full": "Li2 Te2 H2 O8",
"formula_reduced": "LiTeHO4",
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},
{
"id": "jvasp-50726",
"created_at": "2022-09-04T14:36:41.585727Z",
"updated_at": "2022-09-04T14:36:41.585746Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n2.797981 4.093515 -0.000000\n-2.797981 4.093515 -0.000000\n0.000000 -0.000000 6.140012\nLi Cu P O\n2 2 2 8\ndirect\n0.500001 0.500001 0.000000 Li\n0.500001 0.500001 0.500000 Li\n0.198356 0.198356 0.250000 Cu\n0.801645 0.801645 0.750000 Cu\n0.139776 0.139776 0.750000 P\n0.860225 0.860225 0.250000 P\n0.197036 0.749379 0.250000 O\n0.250622 0.802965 0.750000 O\n0.253990 0.253990 0.549084 O\n0.253990 0.253990 0.950916 O\n0.746011 0.746011 0.049084 O\n0.746011 0.746011 0.450916 O\n0.749379 0.197036 0.250000 O\n0.802965 0.250622 0.750000 O\n",
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"density_atomic": 0.09953771640175184,
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"formula_full": "Li2 Cu2 P2 O8",
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{
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"created_at": "2022-09-04T14:36:41.185757Z",
"updated_at": "2022-09-04T14:36:41.185784Z",
"structure_string": "Na4 Al4 Si4 O16\n1.0\n7.390373 0.000000 0.000000\n0.000000 7.390373 -0.000000\n-0.000000 -0.000000 7.390373\nNa Al Si O\n4 4 4 16\ndirect\n0.230396 0.269604 0.730396 Na\n0.269604 0.730396 0.230396 Na\n0.730396 0.230396 0.269604 Na\n0.769604 0.769604 0.769604 Na\n0.714680 0.785319 0.214681 Al\n0.785319 0.214681 0.714680 Al\n0.214681 0.714680 0.785319 Al\n0.285319 0.285319 0.285319 Al\n0.022975 0.022975 0.022975 Si\n0.477025 0.977025 0.522975 Si\n0.522975 0.477025 0.977025 Si\n0.977025 0.522975 0.477025 Si\n0.350642 0.850642 0.649358 O\n0.149358 0.149358 0.149358 O\n0.628291 0.666430 0.025848 O\n0.025848 0.628291 0.666430 O\n0.666430 0.025848 0.628291 O\n0.833570 0.974152 0.128291 O\n0.525848 0.871709 0.333570 O\n0.371709 0.166430 0.474152 O\n0.474152 0.371709 0.166430 O\n0.974152 0.128291 0.833570 O\n0.166430 0.474152 0.371709 O\n0.128291 0.833570 0.974152 O\n0.649358 0.350642 0.850642 O\n0.871709 0.333570 0.525848 O\n0.333570 0.525848 0.871709 O\n0.850642 0.649358 0.350642 O\n",
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],
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"formula_full": "Na4 Al4 Si4 O16",
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},
{
"id": "jvasp-48298",
"created_at": "2022-09-04T14:36:45.537805Z",
"updated_at": "2022-09-04T14:36:45.537830Z",
"structure_string": "Li2 Co2 Ni2 O8\n1.0\n5.663432 -0.024818 0.008650\n0.085097 5.662847 0.008650\n2.786644 -2.846308 4.025991\nLi Co Ni O\n2 2 2 8\ndirect\n0.500000 -0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Ni\n-0.000000 -0.000000 0.500000 Ni\n0.213949 0.763556 0.022495 O\n0.239547 0.229285 0.968835 O\n0.241060 0.236444 0.522494 O\n0.239551 0.791618 0.531165 O\n0.760449 0.208382 0.468835 O\n0.758940 0.763555 0.477505 O\n0.760453 0.770715 0.031165 O\n0.786050 0.236444 0.977505 O\n",
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},
{
"id": "jvasp-50638",
"created_at": "2022-09-04T14:36:50.326436Z",
"updated_at": "2022-09-04T14:36:50.326464Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n0.000000 5.719488 0.113397\n6.500173 0.000000 0.000000\n0.000000 -5.019710 -10.172592\nLi Si Bi O\n4 4 4 16\ndirect\n0.408363 0.363443 0.548616 Li\n0.591637 0.863442 0.951383 Li\n0.408363 0.136557 0.048616 Li\n0.591637 0.636557 0.451383 Li\n0.202230 0.694764 0.638930 Si\n0.202230 0.805235 0.138930 Si\n0.797770 0.194764 0.861069 Si\n0.797770 0.305235 0.361069 Si\n0.968839 0.335783 0.141046 Bi\n0.968839 0.164216 0.641046 Bi\n0.031161 0.835783 0.358954 Bi\n0.031161 0.664216 0.858954 Bi\n0.690383 0.163754 0.226248 O\n0.837897 0.531421 0.309461 O\n0.640219 0.315448 0.453044 O\n0.690382 0.336246 0.726248 O\n0.837897 0.968578 0.809461 O\n0.359781 0.815447 0.046956 O\n0.640219 0.184552 0.953044 O\n0.087971 0.199547 0.467259 O\n0.309617 0.663754 0.273752 O\n0.359781 0.684552 0.546956 O\n0.162103 0.468578 0.690538 O\n0.309617 0.836246 0.773752 O\n0.912029 0.800452 0.532741 O\n0.087971 0.300453 0.967259 O\n0.162103 0.031421 0.190538 O\n0.912029 0.699547 0.032741 O\n",
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{
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"created_at": "2022-09-04T14:36:48.564899Z",
"updated_at": "2022-09-04T14:36:48.564915Z",
"structure_string": "Lu1 Ga1 Co1 O4\n1.0\n3.339729 0.008249 7.985831\n1.609290 2.926439 7.985831\n0.013911 0.008249 8.656044\nLu Ga Co O\n1 1 1 4\ndirect\n0.998906 0.998908 0.998905 Lu\n0.213706 0.213707 0.213706 Ga\n0.783551 0.783553 0.783551 Co\n0.705767 0.705768 0.705766 O\n0.290083 0.290083 0.290083 O\n0.878248 0.878249 0.878247 O\n0.136136 0.136136 0.136136 O\n",
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"formula_full": "Lu1 Ga1 Co1 O4",
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{
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"structure_string": "In1 Ga1 Cu1 O4\n1.0\n3.359633 0.023887 7.911246\n1.629520 2.938090 7.911246\n0.040235 0.023887 8.594959\nIn Ga Cu O\n1 1 1 4\ndirect\n-0.000045 -0.000045 -0.000045 In\n0.212012 0.212012 0.212012 Ga\n0.785430 0.785432 0.785430 Cu\n0.874468 0.874470 0.874468 O\n0.133266 0.133266 0.133266 O\n0.706087 0.706089 0.706087 O\n0.288781 0.288782 0.288781 O\n",
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{
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"created_at": "2022-09-04T14:36:52.559914Z",
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"structure_string": "Sr1 Ce1 V1 O4\n1.0\n3.708763 0.058823 -5.751534\n-0.272392 3.699214 -5.751534\n-0.053788 -0.058823 6.843404\nSr Ce V O\n1 1 1 4\ndirect\n0.643760 0.643759 -0.000000 Sr\n0.356396 0.356396 -0.000000 Ce\n-0.002302 -0.002302 0.000000 V\n0.996610 0.496610 0.499999 O\n0.496610 0.996610 0.499999 O\n0.834749 0.834747 -0.000001 O\n0.174174 0.174173 -0.000000 O\n",
"nsites": 7,
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],
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"volume": 91.52466889613393,
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"formula_full": "Sr1 Ce1 V1 O4",
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"spacegroup": 107
},
{
"id": "jvasp-44771",
"created_at": "2022-09-04T14:38:11.401077Z",
"updated_at": "2022-09-04T14:38:11.401101Z",
"structure_string": "Li2 Co2 Sb2 O8\n1.0\n5.886000 0.000000 0.000000\n2.942999 5.394626 0.001302\n2.942999 1.799437 5.085668\nLi Co Sb O\n2 2 2 8\ndirect\n0.143227 0.106773 0.106773 Li\n0.856773 0.893228 0.893227 Li\n-0.000000 0.500001 0.500000 Co\n0.500000 0.500001 0.500000 Co\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.263817 0.253537 0.253537 O\n0.274735 0.243656 0.706876 O\n0.274735 0.706877 0.243655 O\n0.729110 0.253537 0.253537 O\n0.270890 0.746464 0.746463 O\n0.725265 0.756345 0.293123 O\n0.725265 0.293124 0.756344 O\n0.736182 0.746464 0.746463 O\n",
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],
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"formula_full": "Li2 Co2 Sb2 O8",
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}
]
}