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{
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{
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{
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{
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"structure_string": "Li3 V6 O13\n1.0\n2.012289 6.010541 0.000000\n-2.012289 6.010541 0.000000\n0.000000 1.907857 10.133455\nLi V O\n3 6 13\ndirect\n0.930666 0.930666 0.412848 Li\n0.069448 0.069448 0.587177 Li\n0.999348 0.999348 0.000547 Li\n0.661833 0.661833 0.002085 V\n0.342904 0.342904 0.997535 V\n0.597809 0.597809 0.366010 V\n0.402082 0.402082 0.633426 V\n0.280111 0.280111 0.364194 V\n0.719529 0.719529 0.636442 V\n0.827033 0.827033 0.999965 O\n0.182970 0.182970 0.999725 O\n0.110832 0.110832 0.391110 O\n0.888873 0.888873 0.608822 O\n0.759023 0.759023 0.403633 O\n0.240693 0.240693 0.596361 O\n0.494722 0.494722 0.999691 O\n0.617565 0.617565 0.198060 O\n0.379972 0.379972 0.800914 O\n0.317114 0.317114 0.198876 O\n0.680779 0.680779 0.802217 O\n0.430597 0.430597 0.418700 O\n0.569331 0.569331 0.581662 O\n",
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"elements": [
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],
"chemical_system": "Li-O-V",
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"formula_full": "Li3 V6 O13",
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"updated_at": "2021-11-28T01:39:26.067000Z",
"spacegroup": 8
},
{
"id": "mp-1211875",
"created_at": "2022-09-04T14:44:09.945225Z",
"structure_string": "K2 U2 Si2 H2 O12\n1.0\n7.101274 0.000000 0.000000\n0.000000 6.735102 0.000000\n0.000000 1.777195 6.523255\nK U Si H O\n2 2 2 2 12\ndirect\n0.702694 0.798630 0.577735 K\n0.202694 0.201370 0.422265 K\n0.032324 0.859055 0.018742 U\n0.532324 0.140945 0.981258 U\n0.531556 0.648313 0.092361 Si\n0.031556 0.351687 0.907639 Si\n0.590409 0.417473 0.407418 H\n0.090409 0.582527 0.592582 H\n0.020127 0.821376 0.299443 O\n0.520127 0.178624 0.700557 O\n0.353289 0.808936 0.042183 O\n0.853289 0.191064 0.957817 O\n0.705345 0.813021 0.013433 O\n0.205345 0.186979 0.986567 O\n0.038922 0.915320 0.735807 O\n0.538922 0.084680 0.264193 O\n0.028185 0.527706 0.031264 O\n0.528185 0.472294 0.968736 O\n0.536150 0.552797 0.346244 O\n0.036150 0.447203 0.653756 O\n",
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"elements": [
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],
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"formula_full": "K2 U2 Si2 H2 O12",
"formula_reduced": "KUSiHO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:36:28.026000Z",
"spacegroup": 4
},
{
"id": "mp-849757",
"created_at": "2022-09-04T14:47:57.329428Z",
"structure_string": "Li4 Mn4 Si16 O40\n1.0\n7.296337 0.000000 0.000000\n0.000000 7.296337 0.000000\n0.000000 0.000000 14.992064\nLi Mn Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.575482 Mn\n0.500000 0.000000 0.075482 Mn\n0.000000 0.500000 0.424518 Mn\n0.000000 0.500000 0.924518 Mn\n0.247173 0.828603 0.355306 Si\n0.247173 0.171397 0.855306 Si\n0.328603 0.747173 0.855306 Si\n0.328603 0.252827 0.355306 Si\n0.671397 0.252827 0.855306 Si\n0.671397 0.747173 0.355306 Si\n0.752827 0.828603 0.855306 Si\n0.752827 0.171397 0.355306 Si\n0.747173 0.671397 0.144694 Si\n0.747173 0.328603 0.644694 Si\n0.828603 0.247173 0.144694 Si\n0.828603 0.752827 0.644694 Si\n0.171397 0.752827 0.144694 Si\n0.171397 0.247173 0.644694 Si\n0.252827 0.671397 0.644694 Si\n0.252827 0.328603 0.144694 Si\n0.247640 0.048565 0.377241 O\n0.247640 0.951435 0.877241 O\n0.253982 0.909786 0.080040 O\n0.253982 0.090214 0.580040 O\n0.296521 0.296521 0.250000 O\n0.296521 0.703479 0.750000 O\n0.409786 0.753982 0.580040 O\n0.409786 0.246018 0.080040 O\n0.451435 0.747640 0.377241 O\n0.451435 0.252360 0.877241 O\n0.548565 0.252360 0.377241 O\n0.548565 0.747640 0.877241 O\n0.590214 0.753982 0.080040 O\n0.590214 0.246018 0.580040 O\n0.703479 0.296521 0.750000 O\n0.703479 0.703479 0.250000 O\n0.746018 0.090214 0.080040 O\n0.746018 0.909786 0.580040 O\n0.752360 0.951435 0.377241 O\n0.752360 0.048565 0.877241 O\n0.747640 0.548565 0.622759 O\n0.747640 0.451435 0.122759 O\n0.753982 0.590214 0.419960 O\n0.753982 0.409786 0.919960 O\n0.796521 0.203479 0.250000 O\n0.796521 0.796521 0.750000 O\n0.909786 0.253982 0.419960 O\n0.909786 0.746018 0.919960 O\n0.951435 0.752360 0.122759 O\n0.951435 0.247640 0.622759 O\n0.048565 0.247640 0.122759 O\n0.048565 0.752360 0.622759 O\n0.090214 0.746018 0.419960 O\n0.090214 0.253982 0.919960 O\n0.203479 0.796521 0.250000 O\n0.203479 0.203479 0.750000 O\n0.246018 0.409786 0.419960 O\n0.246018 0.590214 0.919960 O\n0.252360 0.548565 0.122759 O\n0.252360 0.451435 0.622759 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-O-Si",
"density": 2.7814028022610917,
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"volume": 798.1255191327459,
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"formula_full": "Li4 Mn4 Si16 O40",
"formula_reduced": "LiMn(Si2O5)2",
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"updated_at": "2021-11-28T01:38:19.831000Z",
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}
]
}