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{
"id": "jvasp-49616",
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"updated_at": "2022-09-04T14:36:32.838507Z",
"structure_string": "Zn4 Fe4 O12\n1.0\n0.000000 5.004141 0.000367\n5.063949 0.000000 0.000000\n0.000000 -5.003550 -7.286794\nZn Fe O\n4 4 12\ndirect\n0.254199 0.044863 0.250006 Zn\n0.254198 0.455137 0.750006 Zn\n0.745801 0.544863 0.249993 Zn\n0.745800 0.955137 0.749993 Zn\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.755230 0.188783 0.939343 O\n0.376543 0.311216 0.060660 O\n0.623456 0.688784 0.939339 O\n0.244769 0.811217 0.060656 O\n0.376543 0.188784 0.560660 O\n0.865262 0.944100 0.249996 O\n0.134738 0.444100 0.250003 O\n0.134737 0.055900 0.750003 O\n0.244769 0.688783 0.560656 O\n0.865261 0.555900 0.749996 O\n0.755230 0.311217 0.439344 O\n0.623456 0.811216 0.439339 O\n",
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{
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"structure_string": "Zn2 Fe2 O6\n1.0\n2.479557 1.431573 4.588906\n-2.479556 1.431573 4.588906\n-0.000000 -2.863145 4.588906\nZn Fe O\n2 2 6\ndirect\n0.366857 0.366857 0.366858 Zn\n0.633143 0.633143 0.633145 Zn\n0.159599 0.159599 0.159599 Fe\n0.840401 0.840401 0.840404 Fe\n0.048045 0.786282 0.437530 O\n0.562471 0.951955 0.213720 O\n0.213718 0.562472 0.951956 O\n0.786282 0.437528 0.048047 O\n0.437528 0.048045 0.786283 O\n0.951954 0.213718 0.562474 O\n",
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"formula_full": "Zn2 Fe2 O6",
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{
"id": "jvasp-57959",
"created_at": "2022-09-04T14:36:52.277341Z",
"updated_at": "2022-09-04T14:36:52.277367Z",
"structure_string": "Zn1 Fe4 O8\n1.0\n2.825350 -0.000871 -0.000439\n-1.410841 6.913422 0.306113\n-1.412159 -0.849439 6.678501\nZn Fe O\n1 4 8\ndirect\n0.468965 0.830474 0.105008 Zn\n0.808034 0.438556 0.175078 Fe\n0.645737 0.790046 0.499000 Fe\n0.330257 0.161290 0.496764 Fe\n0.147685 0.496324 0.796607 Fe\n0.524339 0.371807 0.674435 O\n0.796597 0.248015 0.342722 O\n0.169512 0.699097 0.637494 O\n0.443840 0.579028 0.306183 O\n0.176053 0.336348 0.013362 O\n0.119597 0.914030 0.322720 O\n0.809143 0.643019 0.972811 O\n0.834203 0.037507 0.628452 O\n",
"nsites": 13,
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"elements": [
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"density": 5.276171614837361,
"density_atomic": 0.09910645027878143,
"volume": 131.17208782507757,
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"formula_full": "Zn1 Fe4 O8",
"formula_reduced": "Zn(FeO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.8664615692307693,
"spacegroup": 8
},
{
"id": "jvasp-13280",
"created_at": "2022-09-04T14:38:36.077885Z",
"updated_at": "2022-09-04T14:38:36.077908Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.909034 -0.131841 -0.093226\n2.840339 4.919611 -0.000000\n2.840339 1.639871 4.638253\nZn Fe O\n2 4 8\ndirect\n0.012096 -0.004032 -0.004032 Zn\n0.111200 0.629600 0.629599 Zn\n0.256850 0.247717 0.247717 Fe\n0.626837 0.137398 0.617882 Fe\n0.626837 0.617883 0.137397 Fe\n0.626837 0.617883 0.617882 Fe\n0.396649 0.375409 0.375408 O\n0.396649 0.375409 0.852531 O\n0.396649 0.852532 0.375408 O\n0.870244 0.376586 0.376584 O\n0.418897 0.860368 0.860367 O\n0.836753 0.409654 0.876796 O\n0.836753 0.876797 0.409652 O\n0.836753 0.876797 0.876796 O\n",
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"density": 5.8258171002498615,
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"volume": 137.4400590458849,
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"formula_full": "Zn2 Fe4 O8",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 160
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{
"id": "jvasp-9966",
"created_at": "2022-09-04T14:37:19.711230Z",
"updated_at": "2022-09-04T14:37:19.711252Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n2.868127 0.000000 0.000000\n-1.434064 4.740561 0.000000\n0.000000 -0.000000 9.670115\nZn Fe O\n2 4 8\ndirect\n0.382544 0.765084 0.750000 Zn\n0.617458 0.234916 0.250000 Zn\n0.872497 0.744992 0.069031 Fe\n0.127505 0.255008 0.930968 Fe\n0.872497 0.744992 0.430968 Fe\n0.127505 0.255008 0.569031 Fe\n0.225303 0.450605 0.389050 O\n0.774699 0.549395 0.610950 O\n0.774699 0.549395 0.889050 O\n0.225303 0.450605 0.110950 O\n0.955929 0.911855 0.250000 O\n0.044073 0.088145 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 14,
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"elements": [
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"formula_full": "Zn2 Fe4 O8",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 63
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{
"id": "jvasp-10855",
"created_at": "2022-09-04T14:37:07.850928Z",
"updated_at": "2022-09-04T14:37:07.850948Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.776870 -0.002268 -0.001757\n-2.885553 5.003640 -0.001136\n-2.887003 -1.664117 4.718120\nZn Fe O\n2 4 8\ndirect\n0.749997 0.874998 0.125001 Zn\n0.250003 0.125000 0.874997 Zn\n0.500000 -0.000001 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.499999 0.499999 Fe\n-0.000000 0.499999 0.500000 Fe\n0.526787 0.263388 0.290090 O\n0.973208 0.263306 0.736590 O\n0.526798 0.263404 0.736696 O\n0.026797 0.290095 0.263390 O\n0.473201 0.736594 0.263302 O\n0.026791 0.736693 0.263409 O\n0.973202 0.709903 0.736609 O\n0.473212 0.736611 0.709908 O\n",
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"volume": 136.30341774585318,
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"formula_full": "Zn2 Fe4 O8",
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"formula_anonymous": "AB2C4",
"energy_above_hull": 2.223713628571428,
"spacegroup": 227
},
{
"id": "jvasp-9931",
"created_at": "2022-09-04T14:38:12.881119Z",
"updated_at": "2022-09-04T14:38:12.881150Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.007200 -0.012049 -2.880943\n-3.329213 4.720397 -0.015238\n-0.008757 0.012118 5.776886\nZn Fe O\n2 4 8\ndirect\n0.250054 0.125029 0.875003 Zn\n0.749947 0.874971 0.124998 Zn\n0.500001 0.000000 0.500001 Fe\n0.499999 0.500000 0.500000 Fe\n0.000001 0.500001 0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.026726 0.736645 0.263376 O\n0.473257 0.736642 0.709906 O\n0.473241 0.736601 0.263356 O\n0.973277 0.709911 0.736638 O\n0.526761 0.263400 0.736646 O\n0.526743 0.263358 0.290095 O\n0.026721 0.290089 0.263363 O\n0.973276 0.263357 0.736627 O\n",
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{
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"created_at": "2022-09-04T14:38:10.809650Z",
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"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-10853",
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"updated_at": "2022-09-04T14:37:06.562468Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.949221 -0.011323 -0.026617\n2.964805 5.157838 -0.026617\n2.949609 1.702958 4.816693\nZn Fe O\n2 4 8\ndirect\n-0.000000 0.500001 0.499999 Zn\n0.500000 0.000001 0.499999 Zn\n0.128713 0.128713 0.121287 Fe\n0.500000 0.500001 -0.000001 Fe\n0.500000 0.500001 0.499999 Fe\n0.871286 0.871289 0.878711 Fe\n0.265858 0.265859 0.240026 O\n0.265859 0.265860 0.728255 O\n0.267576 0.743117 0.244653 O\n0.743116 0.267577 0.244653 O\n0.256883 0.732425 0.755345 O\n0.732424 0.256885 0.755345 O\n0.734141 0.734143 0.271743 O\n0.734141 0.734143 0.759972 O\n",
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{
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"updated_at": "2022-09-04T14:37:33.438922Z",
"structure_string": "Zn4 Fe4 O8\n1.0\n3.038462 0.010021 -0.007982\n-0.122730 7.829567 0.043737\n-0.694552 0.005261 8.050792\nZn Fe O\n4 4 8\ndirect\n0.350957 0.052064 0.703516 Zn\n0.624815 0.927854 0.268288 Zn\n0.769775 0.736456 0.896027 Zn\n0.205973 0.243458 0.075768 Zn\n0.016285 0.310159 0.408813 Fe\n0.709706 0.401602 0.734448 Fe\n0.266066 0.578321 0.237345 Fe\n-0.040523 0.669751 0.562985 Fe\n0.436066 0.737820 0.425671 O\n0.741857 0.393746 0.188320 O\n0.233908 0.586171 0.783479 O\n0.539700 0.242095 0.546129 O\n0.128447 0.084270 0.256662 O\n0.212680 0.250527 0.844019 O\n0.847318 0.895647 0.715135 O\n0.763079 0.729393 0.127778 O\n",
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},
{
"id": "jvasp-9831",
"created_at": "2022-09-04T14:38:34.338953Z",
"updated_at": "2022-09-04T14:38:34.338970Z",
"structure_string": "Zn4 Fe4 O8\n1.0\n3.014382 -0.054479 -0.020586\n-1.280678 -7.814727 0.028831\n-1.314013 0.229709 -8.090007\nZn Fe O\n4 4 8\ndirect\n0.413674 0.052696 0.295718 Zn\n0.590523 0.927221 0.732476 Zn\n0.839124 0.735379 0.100482 Zn\n0.165027 0.244534 0.927723 Zn\n0.357762 0.305399 0.597452 Fe\n0.816887 0.404223 0.266596 Fe\n0.187238 0.575696 0.761606 Fe\n0.646396 0.674524 0.430753 Fe\n0.225915 0.736187 0.574839 O\n0.681347 0.394149 0.820555 O\n0.322802 0.585766 0.207653 O\n0.778237 0.243735 0.453365 O\n0.156980 0.086865 0.743304 O\n0.231508 0.246648 0.159227 O\n-0.152792 0.893050 0.284899 O\n0.772605 0.733265 0.868976 O\n",
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"formula_full": "Zn4 Fe4 O8",
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},
{
"id": "jvasp-93301",
"created_at": "2022-09-04T14:36:21.060020Z",
"updated_at": "2022-09-04T14:36:21.060047Z",
"structure_string": "Zn1 Fe2 N2\n1.0\n3.528988 0.000000 0.000000\n0.000000 3.528988 0.000000\n0.000000 0.000000 4.864512\nZn Fe N\n1 2 2\ndirect\n0.000000 0.000000 0.250000 Zn\n0.500000 0.500000 0.985896 Fe\n0.500000 0.500000 0.514103 Fe\n0.500000 0.000000 0.510808 N\n0.000000 0.500000 0.989191 N\n",
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"volume": 60.58144698658415,
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"formula_full": "Zn1 Fe2 N2",
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"spacegroup": 115
}
]
}