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{
"id": "jvasp-86274",
"created_at": "2022-09-04T14:35:44.685162Z",
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"structure_string": "Al12 Fe2\n1.0\n4.935947 0.007562 -0.000000\n-0.682079 4.888599 -0.000000\n0.000000 0.000000 8.841845\nAl Fe\n12 2\ndirect\n0.677168 0.322826 0.499998 Al\n0.144524 0.144524 0.100022 Al\n0.677174 0.322832 -0.000001 Al\n0.855482 0.855481 0.899980 Al\n0.030417 0.393550 0.750001 Al\n0.322832 0.677174 -0.000001 Al\n0.144518 0.144518 0.399981 Al\n0.969583 0.606450 0.250002 Al\n0.606450 0.969583 0.250002 Al\n0.393550 0.030417 0.750001 Al\n0.855476 0.855476 0.600022 Al\n0.322826 0.677168 0.499998 Al\n0.458834 0.458834 0.249998 Fe\n0.541166 0.541166 0.749997 Fe\n",
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{
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"structure_string": "Al1 Fe1\n1.0\n0.000000 0.000000 -2.874996\n-2.032741 -3.520810 0.000000\n-0.743931 2.776716 0.000000\nAl Fe\n1 1\ndirect\n0.500001 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Fe\n",
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{
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"updated_at": "2022-09-04T14:36:34.462512Z",
"structure_string": "Al1 Fe2 Ge1\n1.0\n3.506029 0.000000 2.024207\n1.168677 3.305516 2.024207\n-0.000000 -0.000000 4.048415\nAl Fe Ge\n1 2 1\ndirect\n0.500000 0.500001 0.500000 Al\n0.250000 0.250000 0.250000 Fe\n0.750001 0.750001 0.750000 Fe\n0.000000 0.000000 0.000000 Ge\n",
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"formula_full": "Al1 Fe2 Ge1",
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"spacegroup": 225
},
{
"id": "jvasp-107244",
"created_at": "2022-09-04T14:36:56.068374Z",
"updated_at": "2022-09-04T14:36:56.068400Z",
"structure_string": "Al1 Fe3 H1\n1.0\n3.668756 -0.000000 0.000000\n0.000000 3.668756 0.000000\n-0.000000 -0.000000 3.668756\nAl Fe H\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 H\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.10125430983316411,
"volume": 49.38061410164623,
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"formula_full": "Al1 Fe3 H1",
"formula_reduced": "AlFe3H",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-37783",
"created_at": "2022-09-04T14:38:34.879149Z",
"updated_at": "2022-09-04T14:38:34.879185Z",
"structure_string": "Hf1 Al1 Fe2\n1.0\n0.000011 3.001302 3.001308\n3.001309 0.000009 3.001309\n3.001301 3.001298 0.000017\nHf Al Fe\n1 1 2\ndirect\n0.750001 0.750001 0.749999 Hf\n0.250000 0.250001 0.250001 Al\n0.500002 0.500000 0.500001 Fe\n0.000000 0.000001 0.000001 Fe\n",
"nsites": 4,
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"elements": [
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"spacegroup": 225
},
{
"id": "jvasp-110239",
"created_at": "2022-09-04T14:38:19.033880Z",
"updated_at": "2022-09-04T14:38:19.033904Z",
"structure_string": "Ho2 Al1 Fe3\n1.0\n4.479133 0.000000 2.586029\n-2.986089 4.186035 0.000000\n-0.000000 -0.000000 5.172057\nHo Al Fe\n2 1 3\ndirect\n0.744956 0.367435 0.377522 Ho\n0.255042 0.632564 0.622479 Ho\n0.499999 0.499999 0.000001 Al\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n",
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{
"id": "jvasp-112364",
"created_at": "2022-09-04T14:38:26.211375Z",
"updated_at": "2022-09-04T14:38:26.211409Z",
"structure_string": "Ho1 Al6 Fe6\n1.0\n6.429777 -0.003982 -1.053501\n-1.609413 4.301911 -4.621176\n0.000266 0.003982 6.515512\nHo Al Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.346103 0.346103 0.000000 Al\n0.653898 0.653897 0.000000 Al\n0.662675 0.000000 0.662674 Al\n0.337327 0.000000 0.337326 Al\n0.808858 0.308857 0.500000 Al\n0.191144 0.691143 0.499999 Al\n0.500000 0.000000 0.000000 Fe\n0.500001 0.500000 0.500000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.240244 0.500000 0.740242 Fe\n0.759758 0.500000 0.259757 Fe\n",
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"volume": 180.30572545757593,
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"formula_full": "Ho1 Al6 Fe6",
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"spacegroup": 71
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{
"id": "jvasp-13147",
"created_at": "2022-09-04T14:37:08.499209Z",
"updated_at": "2022-09-04T14:37:08.499218Z",
"structure_string": "Ho1 Al8 Fe4\n1.0\n4.664618 -0.000000 1.903479\n2.332310 6.137994 0.951739\n0.013246 -0.000000 6.634777\nHo Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.339216 0.660785 0.660785 Al\n0.000001 0.339215 0.660785 Al\n0.000001 0.660785 0.339215 Al\n0.660786 0.339215 0.339215 Al\n0.279089 0.220912 0.220912 Al\n0.500001 0.779088 0.220912 Al\n0.500001 0.220912 0.779088 Al\n0.720913 0.779088 0.779088 Al\n0.500001 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n",
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],
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"density": 5.285523882924338,
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"volume": 189.80817605294615,
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"formula_full": "Ho1 Al8 Fe4",
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"formula_anonymous": "AB4C8",
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"spacegroup": 139
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{
"id": "jvasp-100144",
"created_at": "2022-09-04T14:36:41.159151Z",
"updated_at": "2022-09-04T14:36:41.159178Z",
"structure_string": "Al1 Fe1 Ir2\n1.0\n3.698665 0.000000 2.135424\n1.232888 3.487134 2.135424\n0.000000 0.000000 4.270849\nAl Fe Ir\n1 1 2\ndirect\n0.500000 0.499999 0.499999 Al\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Ir\n0.750000 0.749999 0.749999 Ir\n",
"nsites": 4,
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],
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"density": 14.08576219082245,
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"formula_full": "Al1 Fe1 Ir2",
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},
{
"id": "jvasp-39945",
"created_at": "2022-09-04T14:37:50.448089Z",
"updated_at": "2022-09-04T14:37:50.448113Z",
"structure_string": "Al2 Fe1 Ir1\n1.0\n0.000007 2.952519 2.952493\n2.952521 -0.000015 2.952515\n2.952507 2.952528 -0.000002\nAl Fe Ir\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n-0.000000 0.000002 1.000000 Al\n0.249999 0.250000 0.250003 Fe\n0.749998 0.750000 0.750000 Ir\n",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-43984",
"created_at": "2022-09-04T14:36:16.124883Z",
"updated_at": "2022-09-04T14:36:16.124910Z",
"structure_string": "Li4 Al2 Fe2 O8\n1.0\n4.982176 0.000000 0.000000\n0.000000 5.474837 0.000000\n0.000000 0.000000 6.223103\nLi Al Fe O\n4 2 2 8\ndirect\n0.006319 0.666271 0.250555 Li\n0.506319 0.333729 0.249445 Li\n0.006319 0.666271 0.749444 Li\n0.506319 0.333729 0.750555 Li\n0.501146 0.830340 0.000000 Al\n0.001145 0.169660 0.500000 Al\n0.003432 0.168166 0.000000 Fe\n0.503432 0.831835 0.500000 Fe\n0.142132 0.845278 0.000000 O\n0.624251 0.137638 0.000000 O\n0.108197 0.322417 0.261125 O\n0.608197 0.677584 0.238875 O\n0.124251 0.862363 0.500000 O\n0.642133 0.154723 0.500000 O\n0.608197 0.677584 0.761124 O\n0.108197 0.322417 0.738875 O\n",
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{
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"created_at": "2022-09-04T14:37:15.948657Z",
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"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.830658 -0.014447 0.832134\n-2.645558 4.041843 0.832134\n0.044518 0.082053 5.193070\nLi Al Fe O\n1 2 1 6\ndirect\n0.499999 0.499999 0.500000 Li\n0.669044 0.330955 -0.000000 Al\n0.330955 0.669044 -0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.918512 0.595279 0.201134 O\n0.743460 0.743459 0.800943 O\n0.404720 0.081487 0.798865 O\n0.595279 0.918511 0.201134 O\n0.256539 0.256539 0.199056 O\n0.081487 0.404719 0.798865 O\n",
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}