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{
"id": "jvasp-12240",
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"structure_string": "Mn4 O8\n1.0\n2.813882 -0.000024 0.577203\n1.406909 6.918874 0.288466\n0.016866 -0.000139 7.066526\nMn O\n4 8\ndirect\n0.651114 0.180711 0.517092 Mn\n0.168199 0.482906 0.180708 Mn\n0.831803 0.517092 0.819292 Mn\n0.348887 0.819290 0.482908 Mn\n0.836070 0.706539 0.621285 O\n0.457374 0.378711 0.706547 O\n0.542628 0.621288 0.293455 O\n0.163930 0.293462 0.378716 O\n0.155343 0.047374 0.641929 O\n0.797276 0.358069 0.047373 O\n0.844658 0.952626 0.358073 O\n0.202726 0.641932 0.952627 O\n",
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"structure_string": "Ba1 Ni2 As2 O8\n1.0\n4.739554 -0.025583 6.859734\n2.120505 4.238805 6.859735\n-0.041658 -0.025587 8.337721\nBa Ni As O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.831060 0.831059 0.831060 Ni\n0.168940 0.168940 0.168941 Ni\n0.573878 0.573877 0.573878 As\n0.426122 0.426122 0.426122 As\n0.881027 0.212476 0.560970 O\n0.212476 0.560968 0.881029 O\n0.560970 0.881027 0.212476 O\n0.118973 0.787523 0.439031 O\n0.787524 0.439031 0.118972 O\n0.354039 0.354039 0.354039 O\n0.645961 0.645960 0.645961 O\n0.439030 0.118972 0.787525 O\n",
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"structure_string": "Sr3 V2 O8\n1.0\n5.231520 0.006570 5.366772\n2.187252 4.752344 5.366772\n0.010243 0.006570 7.494727\nSr V O\n3 2 8\ndirect\n0.798099 0.798099 0.798101 Sr\n0.201900 0.201900 0.201901 Sr\n0.000000 0.000000 0.000000 Sr\n0.593880 0.593880 0.593881 V\n0.406119 0.406119 0.406120 V\n0.731864 0.230991 0.731865 O\n0.230991 0.731864 0.731865 O\n0.731864 0.731864 0.230992 O\n0.268135 0.769008 0.268136 O\n0.769008 0.268135 0.268136 O\n0.321457 0.321456 0.321457 O\n0.678543 0.678543 0.678544 O\n0.268135 0.268135 0.769009 O\n",
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{
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"created_at": "2022-09-04T14:38:10.040056Z",
"updated_at": "2022-09-04T14:38:10.040072Z",
"structure_string": "Cr2 Hg2 O8\n1.0\n5.279238 0.098812 0.000000\n-2.161125 4.817640 -0.000000\n-0.000000 0.000000 7.139287\nCr Hg O\n2 2 8\ndirect\n0.631696 0.368305 0.250000 Cr\n0.368306 0.631695 0.750000 Cr\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.718712 0.761134 0.750000 O\n0.281289 0.238865 0.250000 O\n0.761136 0.718711 0.250000 O\n0.238866 0.281288 0.750000 O\n0.263381 0.736619 0.939048 O\n0.736620 0.263380 0.439048 O\n0.736620 0.263380 0.060952 O\n0.263381 0.736619 0.560953 O\n",
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"density": 5.742169480981419,
"density_atomic": 0.06553746050892023,
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"formula_full": "Cr2 Hg2 O8",
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{
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"created_at": "2022-09-04T14:38:10.946285Z",
"updated_at": "2022-09-04T14:38:10.946305Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n4.600812 0.021729 3.041703\n1.646598 4.296121 3.041703\n0.031439 0.021729 5.515291\nTi Mn O\n2 2 6\ndirect\n0.499670 0.499670 0.499669 Ti\n-0.000330 -0.000330 -0.000330 Ti\n0.780329 0.780329 0.780327 Mn\n0.280329 0.280329 0.280328 Mn\n0.611187 0.218517 0.856656 O\n0.218517 0.856657 0.611186 O\n0.856657 0.611187 0.218516 O\n0.356657 0.718517 0.111186 O\n0.111187 0.356657 0.718516 O\n0.718517 0.111187 0.356656 O\n",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-12233",
"created_at": "2022-09-04T14:38:06.336381Z",
"updated_at": "2022-09-04T14:38:06.336405Z",
"structure_string": "Ba3 V2 O8\n1.0\n5.419628 0.001835 5.791588\n2.288409 4.912796 5.791588\n0.002878 0.001835 7.931888\nBa V O\n3 2 8\ndirect\n0.205246 0.205246 0.205246 Ba\n0.794755 0.794753 0.794754 Ba\n0.000000 0.000000 0.000000 Ba\n0.592478 0.592477 0.592478 V\n0.407523 0.407522 0.407523 V\n0.672317 0.672315 0.672317 O\n0.327684 0.327683 0.327684 O\n0.241262 0.727191 0.727191 O\n0.727192 0.727191 0.241262 O\n0.727192 0.241260 0.727192 O\n0.758739 0.272808 0.272809 O\n0.272809 0.758739 0.272809 O\n0.272810 0.272808 0.758739 O\n",
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{
"id": "jvasp-12232",
"created_at": "2022-09-04T14:38:06.404659Z",
"updated_at": "2022-09-04T14:38:06.404685Z",
"structure_string": "Hg2 Mo2 O8\n1.0\n4.895769 0.007204 -1.721163\n-1.028123 5.308951 -2.902228\n0.026247 -0.001347 6.477203\nHg Mo O\n2 2 8\ndirect\n0.500001 0.499999 0.500000 Hg\n0.000000 -0.000000 0.500000 Hg\n0.750000 0.190668 0.000000 Mo\n0.250000 0.809331 -0.000000 Mo\n0.968265 0.477624 0.226408 O\n0.531736 0.251215 0.773591 O\n0.031736 0.522375 0.773591 O\n0.468265 0.748783 0.226408 O\n0.031576 0.006230 0.193877 O\n0.468425 0.812353 0.806122 O\n0.968426 0.993769 0.806122 O\n0.531576 0.187646 0.193877 O\n",
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{
"id": "jvasp-12231",
"created_at": "2022-09-04T14:38:10.644964Z",
"updated_at": "2022-09-04T14:38:10.644984Z",
"structure_string": "K1 Fe1 Mo2 O8\n1.0\n2.794132 -4.839578 -0.000000\n2.794132 4.839578 0.000000\n-0.000000 0.000000 6.896289\nK Fe Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.258986 Mo\n0.666667 0.333333 0.741015 Mo\n0.333333 0.666667 0.006676 O\n0.666667 0.333333 0.993324 O\n0.684743 0.842371 0.340285 O\n0.157628 0.315256 0.340285 O\n0.842372 0.157628 0.659715 O\n0.315256 0.157628 0.659715 O\n0.157628 0.842372 0.340285 O\n0.842371 0.684743 0.659715 O\n",
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{
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"structure_string": "U5 O10\n1.0\n3.321518 0.000915 1.914723\n1.106751 3.130364 1.916949\n0.012862 -0.004552 19.169494\nU O\n5 10\ndirect\n0.682746 0.783363 0.150105 U\n0.682838 0.783310 0.350108 U\n0.682822 0.783324 0.550106 U\n0.682804 0.783326 0.750109 U\n0.682788 0.783344 0.950105 U\n0.932774 0.033359 0.000102 O\n0.432748 0.533362 0.100105 O\n0.932836 0.033315 0.400108 O\n0.932738 0.033355 0.200110 O\n0.432840 0.533313 0.300107 O\n0.432843 0.533321 0.500103 O\n0.932787 0.033326 0.800112 O\n0.932806 0.033332 0.600106 O\n0.432811 0.533319 0.700110 O\n0.432817 0.533340 0.900101 O\n",
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{
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"created_at": "2022-09-04T14:38:11.701985Z",
"updated_at": "2022-09-04T14:38:11.702011Z",
"structure_string": "Ag4 Mo2 O8\n1.0\n5.716499 0.000000 3.300423\n1.905499 5.389567 3.300423\n0.000000 -0.000000 6.600845\nAg Mo O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 -0.000001 Ag\n-0.000000 0.500000 0.500000 Ag\n0.500000 -0.000000 0.500000 Ag\n0.875000 0.875000 0.875000 Mo\n0.125000 0.125000 0.125000 Mo\n0.235760 0.792718 0.235760 O\n0.764240 0.764240 0.764239 O\n0.235760 0.235761 0.235760 O\n0.764240 0.764240 0.207281 O\n0.207282 0.764240 0.764240 O\n0.764240 0.207282 0.764240 O\n0.792718 0.235761 0.235760 O\n0.235760 0.235761 0.792718 O\n",
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"updated_at": "2022-09-04T14:38:10.809674Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.002616 0.000000 2.888261\n1.667538 4.716511 2.888261\n0.000000 0.000000 5.776523\nZn Fe O\n2 4 8\ndirect\n0.875001 0.875000 0.874999 Zn\n0.125000 0.125000 0.125000 Zn\n0.500001 0.500000 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n0.000000 0.500000 0.500000 Fe\n0.500001 0.500000 -0.000000 Fe\n0.736637 0.290091 0.736635 O\n0.736637 0.736636 0.736635 O\n0.263364 0.263364 0.709909 O\n0.263364 0.709909 0.263363 O\n0.263364 0.263364 0.263363 O\n0.736637 0.736636 0.290090 O\n0.290091 0.736636 0.736635 O\n0.709910 0.263364 0.263363 O\n",
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{
"id": "jvasp-12216",
"created_at": "2022-09-04T14:38:10.940221Z",
"updated_at": "2022-09-04T14:38:10.940241Z",
"structure_string": "Li4 Ni2 O4\n1.0\n3.123546 -0.000000 0.000000\n-1.561773 2.705070 -0.000000\n-0.000000 -0.000000 9.942119\nLi Ni O\n4 2 4\ndirect\n0.666666 0.333332 0.176901 Li\n0.333335 0.666667 0.823099 Li\n0.333335 0.666667 0.323100 Li\n0.666666 0.333332 0.676901 Li\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333335 0.666667 0.617603 O\n0.666666 0.333332 0.882397 O\n0.333335 0.666667 0.117603 O\n0.666666 0.333332 0.382397 O\n",
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]
}