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{
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{
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"structure_string": "V4 S4 O16\n1.0\n4.780022 -0.000004 0.000001\n0.000007 8.810249 0.000238\n-0.000002 -0.000165 6.695697\nV S O\n4 4 16\ndirect\n-0.000001 -0.000000 0.500001 V\n0.500000 0.500000 0.500002 V\n-0.000001 0.000000 -0.000002 V\n0.500003 0.500000 0.000001 V\n0.490459 0.178425 0.249999 S\n0.990463 0.321575 0.750001 S\n0.009541 0.678425 0.250000 S\n0.509537 0.821575 0.750001 S\n0.143221 0.626441 0.434875 O\n0.143221 0.626441 0.065126 O\n0.856783 0.373560 0.565127 O\n0.856785 0.373559 0.934876 O\n0.356779 0.126439 0.434873 O\n0.356779 0.126442 0.065124 O\n0.024871 0.850538 0.249999 O\n0.207847 0.874716 0.750000 O\n0.475129 0.350538 0.250000 O\n0.975127 0.149463 0.749999 O\n0.643216 0.873559 0.565126 O\n0.707850 0.625282 0.250001 O\n0.292155 0.374715 0.750002 O\n0.792150 0.125283 0.250000 O\n0.524872 0.649462 0.750001 O\n0.643216 0.873560 0.934875 O\n",
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{
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"structure_string": "Mn4 As4 O16\n1.0\n4.818132 0.033914 0.000000\n-0.476718 6.644341 0.000000\n-0.000000 -0.000000 9.052811\nMn As O\n4 4 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.965204 0.780160 0.319129 As\n0.465205 0.280160 0.180871 As\n0.034795 0.219839 0.680871 As\n0.534794 0.719839 0.819129 As\n0.307105 0.783208 0.378318 O\n0.814655 0.993218 0.377393 O\n0.192894 0.716791 0.878318 O\n0.809742 0.555080 0.377588 O\n0.185344 0.006781 0.622607 O\n0.690256 0.944918 0.877588 O\n0.905907 0.770779 0.127742 O\n0.692894 0.216791 0.621682 O\n0.594092 0.729220 0.627742 O\n0.807105 0.283208 0.121682 O\n0.405907 0.270779 0.372258 O\n0.190257 0.444919 0.622412 O\n0.685344 0.506780 0.877393 O\n0.309743 0.055081 0.122412 O\n0.094092 0.229220 0.872258 O\n0.314655 0.493219 0.122607 O\n",
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"structure_string": "Sc8 Fe16\n1.0\n4.875802 -0.000000 0.000000\n-2.437901 4.222569 0.000000\n-0.000000 -0.000000 15.950351\nSc Fe\n8 16\ndirect\n0.000000 0.000000 0.406567 Sc\n0.000000 0.000000 0.593433 Sc\n0.000000 0.000000 0.906567 Sc\n0.000000 0.000000 0.093433 Sc\n0.333333 0.666667 0.655999 Sc\n0.666667 0.333333 0.344001 Sc\n0.666667 0.333333 0.155999 Sc\n0.333333 0.666667 0.844001 Sc\n0.835437 0.164562 0.750000 Fe\n0.670875 0.835438 0.250000 Fe\n0.164562 0.329125 0.250000 Fe\n0.164563 0.835438 0.250000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.333333 0.666667 0.125066 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.835438 0.670876 0.750000 Fe\n0.666667 0.333333 0.874934 Fe\n0.666667 0.333333 0.625066 Fe\n0.333333 0.666667 0.374934 Fe\n0.000000 0.500000 0.500000 Fe\n0.329125 0.164562 0.750000 Fe\n",
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"structure_string": "In8 Pt16\n1.0\n4.145985 -0.000000 0.000000\n0.000000 5.748547 0.282900\n-0.000000 -0.066894 17.279083\nIn Pt\n8 16\ndirect\n0.500001 0.704490 0.238426 In\n0.500001 0.725341 0.574956 In\n0.500001 0.760269 0.916128 In\n0.500001 0.239733 0.083872 In\n0.500001 0.274660 0.425043 In\n0.500001 0.295511 0.761573 In\n-0.000000 0.990069 0.330797 In\n-0.000000 0.009932 0.669203 In\n0.500001 0.769234 0.409159 Pt\n0.500001 0.744294 0.079332 Pt\n0.500001 0.255707 0.920668 Pt\n0.500001 0.230767 0.590841 Pt\n0.500001 0.218048 0.254880 Pt\n-0.000000 0.526720 0.835452 Pt\n-0.000000 0.500001 0.500000 Pt\n-0.000000 0.500000 0.000000 Pt\n-0.000000 0.510451 0.666882 Pt\n-0.000000 0.489550 0.333118 Pt\n0.500001 0.781953 0.745120 Pt\n-0.000000 0.021881 0.832294 Pt\n-0.000000 0.000000 0.500000 Pt\n-0.000000 0.978120 0.167705 Pt\n-0.000000 0.473282 0.164548 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-119598",
"created_at": "2022-09-04T14:38:52.451780Z",
"updated_at": "2022-09-04T14:38:52.451817Z",
"structure_string": "Mn4 Ag4 O16\n1.0\n5.892671 0.000000 0.000000\n0.000000 7.421997 0.000000\n-0.000000 0.000000 7.216682\nMn Ag O\n4 4 16\ndirect\n0.750000 0.165549 0.500025 Mn\n0.250000 0.665549 0.999975 Mn\n0.250000 0.834452 0.499975 Mn\n0.750000 0.334451 0.000025 Mn\n0.750000 0.750004 0.249970 Ag\n0.250000 0.250004 0.250030 Ag\n0.250000 0.249996 0.750030 Ag\n0.750000 0.749996 0.749970 Ag\n0.484310 0.785933 0.999989 O\n0.984310 0.285932 0.500010 O\n0.984310 0.214068 0.000010 O\n0.484310 0.714068 0.499990 O\n0.015690 0.785933 0.999989 O\n0.515690 0.285932 0.500010 O\n0.750000 0.462968 0.816087 O\n0.750000 0.462951 0.183977 O\n0.250000 0.537032 0.183913 O\n0.750000 0.037032 0.316087 O\n0.015690 0.714068 0.499990 O\n0.250000 -0.037049 0.316023 O\n0.250000 0.537050 0.816023 O\n0.750000 0.037049 0.683977 O\n0.250000 0.962968 0.683913 O\n0.515690 0.214068 0.000010 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Ag",
"O"
],
"chemical_system": "Ag-Mn-O",
"density": 4.772972852994964,
"density_atomic": 0.07603975419639188,
"volume": 315.6243764020322,
"volume_molar": 7.919726758251086,
"formula_full": "Mn4 Ag4 O16",
"formula_reduced": "MnAgO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.335401416896552,
"spacegroup": 74
}
]
}