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{
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{
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"updated_at": "2022-09-04T14:36:09.721000Z",
"structure_string": "Li6 Co2 O2 F6\n1.0\n2.935231 -0.002138 0.000821\n-1.463996 4.899406 0.015352\n-0.004221 -1.926932 9.753938\nLi Co O F\n6 2 2 6\ndirect\n0.752293 0.505617 0.129535 Li\n0.500682 0.002328 0.250197 Li\n0.500507 0.002261 0.750185 Li\n-0.003832 -0.006442 0.499944 Li\n0.249023 0.499011 0.370855 Li\n0.004876 0.011015 0.000445 Li\n0.742935 0.487029 0.647100 Co\n0.258172 0.517514 0.853287 Co\n0.884819 0.770869 0.817237 O\n0.116230 0.233674 0.683152 O\n0.875777 0.752671 0.310832 F\n0.625883 0.252886 0.433284 F\n0.629650 0.260469 0.949750 F\n0.125427 0.251970 0.189564 F\n0.375292 0.751735 0.067110 F\n0.371506 0.744116 0.550645 F\n",
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{
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"structure_string": "Li4 V3 O1 F11\n1.0\n5.616735 0.002186 -0.013089\n-0.737833 5.868136 0.024208\n-1.168594 -1.283561 6.084955\nLi V O F\n4 3 1 11\ndirect\n0.867672 0.659377 0.449738 Li\n0.403105 0.862132 0.680840 Li\n0.679370 0.396579 0.847587 Li\n0.160824 0.376460 0.623141 Li\n0.307240 0.618540 0.138644 V\n0.584481 0.139658 0.342590 V\n0.009536 0.994298 0.986431 V\n0.323937 0.951031 0.129078 O\n0.423028 0.603123 0.846117 F\n0.374685 0.182345 0.550068 F\n0.685777 0.062248 0.861447 F\n0.173396 0.568574 0.394587 F\n0.899896 0.095582 0.261571 F\n0.590589 0.819456 0.422653 F\n0.572012 0.420594 0.199652 F\n0.062267 0.881584 0.697299 F\n0.935479 0.667443 0.026033 F\n0.816892 0.388407 0.587340 F\n0.129817 0.312582 0.955179 F\n",
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{
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{
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"structure_string": "Y3 Mn3 Ga2 Ge1\n1.0\n6.993740 0.000000 0.000000\n-3.496871 6.056756 0.000000\n-0.000000 -0.000000 4.113869\nY Mn Ga Ge\n3 3 2 1\ndirect\n0.914534 0.664851 0.500000 Y\n0.750317 0.085466 0.500000 Y\n0.335150 0.249683 0.500000 Y\n0.558101 0.662768 -0.000000 Mn\n0.104667 0.441899 -0.000000 Mn\n0.337233 0.895334 -0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.333334 0.666667 0.500000 Ga\n0.666667 0.333334 -0.000000 Ge\n",
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{
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"structure_string": "Ba8 Na2 Ru6 O24\n1.0\n5.832126 -0.000000 0.000000\n-2.916062 5.050769 -0.000000\n0.000000 -0.000000 19.224905\nBa Na Ru O\n8 2 6 24\ndirect\n0.000000 0.000000 0.116816 Ba\n0.000000 0.000000 0.616816 Ba\n0.333334 0.666667 0.372583 Ba\n0.666668 0.333333 0.872583 Ba\n0.666668 0.333333 0.496825 Ba\n0.333334 0.666667 0.996825 Ba\n0.333334 0.666667 0.745785 Ba\n0.666668 0.333333 0.245785 Ba\n0.666668 0.333333 0.059444 Na\n0.333334 0.666667 0.559445 Na\n0.333334 0.666667 0.183671 Ru\n0.666668 0.333333 0.683672 Ru\n0.000000 0.000000 0.434756 Ru\n0.000000 0.000000 0.799869 Ru\n0.000000 0.000000 0.299868 Ru\n0.000000 0.000000 0.934757 Ru\n0.155926 0.311852 0.488358 O\n0.513249 0.026498 0.628268 O\n0.486752 0.973502 0.128268 O\n0.026499 0.513249 0.128268 O\n0.513249 0.486751 0.628268 O\n0.844075 0.688148 0.988358 O\n0.155927 0.844074 0.488358 O\n0.688149 0.844074 0.488358 O\n0.311852 0.155926 0.988358 O\n0.844075 0.155926 0.988358 O\n0.691367 0.845683 0.864677 O\n0.668409 0.834204 0.244775 O\n0.845684 0.154317 0.364677 O\n0.154317 0.845683 0.864677 O\n0.154317 0.308634 0.864677 O\n0.308634 0.154317 0.364677 O\n0.834205 0.668408 0.744775 O\n0.165797 0.834204 0.244775 O\n0.973503 0.486751 0.628268 O\n0.331592 0.165796 0.744775 O\n0.834204 0.165796 0.744775 O\n0.165797 0.331592 0.244775 O\n0.845684 0.691366 0.364677 O\n0.486752 0.513249 0.128268 O\n",
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{
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"structure_string": "Li1 Co1 C2 O6\n1.0\n4.318944 -0.225132 1.676964\n1.639446 4.002022 1.676964\n-0.089603 -0.056798 5.890433\nLi Co C O\n1 1 2 6\ndirect\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.557276 0.557276 0.212467 C\n0.442725 0.442724 0.787531 C\n0.240324 0.687427 0.271566 O\n0.312574 0.759676 0.728432 O\n0.734720 0.734720 0.096712 O\n0.265281 0.265279 0.903286 O\n0.687427 0.240324 0.271566 O\n0.759677 0.312573 0.728432 O\n",
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"formula_full": "Li1 Co1 C2 O6",
"formula_reduced": "LiCo(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.52186219,
"spacegroup": 12
}
]
}