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{
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{
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"structure_string": "Te7 Mo6 S5\n1.0\n-1.872391 -2.846867 0.000196\n6.369880 -6.228934 -0.058853\n-1.582292 3.081118 14.153797\nTe Mo S\n7 6 5\ndirect\n0.497790 0.108880 0.104499 Te\n0.173420 0.550818 0.897616 Te\n0.921414 0.537160 0.379987 Te\n0.826654 0.464301 0.117638 Te\n0.244237 0.896547 0.385052 Te\n0.423874 0.772803 0.620526 Te\n0.744643 0.128424 0.617712 Te\n0.314966 0.621759 0.251718 Mo\n0.685775 0.389517 0.761027 Mo\n0.649206 0.948078 0.246548 Mo\n0.018371 0.722250 0.758942 Mo\n0.986082 0.269302 0.241504 Mo\n0.349042 0.052453 0.750509 Mo\n0.173036 0.799992 0.146131 S\n0.570654 0.204787 0.346115 S\n0.831752 0.193495 0.856969 S\n0.491509 0.875606 0.858568 S\n0.097568 0.463831 0.658942 S\n",
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"structure_string": "Li7 Co5 O12\n1.0\n4.653413 -0.005650 -1.613927\n-0.354623 5.559015 -1.044861\n-0.001329 -0.040889 7.481696\nLi Co O\n7 5 12\ndirect\n0.500401 0.261086 0.999849 Li\n0.514455 0.418439 0.675616 Li\n0.499599 0.738915 0.000152 Li\n0.508380 0.917542 0.669144 Li\n0.491620 0.082459 0.330856 Li\n0.485545 0.581562 0.324384 Li\n0.000000 0.500000 0.000000 Li\n0.002712 0.665615 0.670201 Co\n0.997287 0.334386 0.329799 Co\n0.997019 0.830184 0.329446 Co\n0.000000 0.000000 0.000000 Co\n0.002981 0.169817 0.670555 Co\n0.223558 0.278157 0.168033 O\n0.779061 0.043055 0.171809 O\n0.776098 0.194233 0.832305 O\n0.768563 0.546139 0.185752 O\n0.776442 0.721843 0.831967 O\n0.785770 0.877618 0.508597 O\n0.783604 0.376963 0.509603 O\n0.231437 0.453862 0.814248 O\n0.216396 0.623038 0.490397 O\n0.220939 0.956946 0.828191 O\n0.214230 0.122383 0.491403 O\n0.223902 0.805768 0.167695 O\n",
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"elements": [
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],
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"density": 4.598246489757571,
"density_atomic": 0.12416555794047551,
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"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
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"spacegroup": 2
},
{
"id": "jvasp-116853",
"created_at": "2022-09-04T14:38:45.969075Z",
"updated_at": "2022-09-04T14:38:45.969093Z",
"structure_string": "Li5 Co7 O12\n1.0\n4.938340 -0.003710 0.438748\n-2.542965 4.233266 0.438748\n0.050090 0.088445 9.546659\nLi Co O\n5 7 12\ndirect\n0.838256 0.671957 0.759339 Li\n0.676231 0.834883 0.240801 Li\n0.328042 0.161744 0.240661 Li\n0.165117 0.323770 0.759199 Li\n0.085074 0.914928 0.000000 Li\n0.422609 0.577393 0.000000 Co\n0.578033 0.421967 0.500000 Co\n0.485025 0.998533 0.759293 Co\n0.245759 0.754242 0.500000 Co\n0.001467 0.514976 0.240708 Co\n0.912349 0.087650 0.500000 Co\n0.754025 0.245976 0.000000 Co\n0.211792 0.047917 0.609701 O\n0.046639 0.226699 0.116146 O\n0.773302 0.953361 0.883854 O\n0.862314 0.371805 0.610833 O\n0.628195 0.137685 0.389168 O\n0.701643 0.517163 0.116400 O\n0.482837 0.298357 0.883601 O\n0.538738 0.721031 0.608422 O\n0.278970 0.461262 0.391579 O\n0.392489 0.860980 0.117424 O\n0.139021 0.607512 0.882577 O\n0.952083 0.788208 0.390299 O\n",
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],
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"spacegroup": 5
}
]
}