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{
"id": "jvasp-18609",
"created_at": "2022-09-04T14:37:03.339395Z",
"updated_at": "2022-09-04T14:37:03.339422Z",
"structure_string": "Ho1 Au4\n1.0\n3.849926 0.000000 1.707836\n1.924963 4.781545 0.853918\n-0.013932 0.000000 5.224713\nHo Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.599149 0.600441 0.201261 Au\n0.400852 0.399558 0.798740 Au\n0.800410 0.798739 0.600442 Au\n0.199592 0.201260 0.399558 Au\n",
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{
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"created_at": "2022-09-04T14:36:59.250056Z",
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"structure_string": "Ho2 Au6\n1.0\n5.011389 0.000000 0.000000\n0.000000 5.119392 0.000000\n0.000000 0.000000 6.190781\nHo Au\n2 6\ndirect\n0.000000 0.658304 0.500000 Ho\n0.500000 0.341695 0.000000 Ho\n0.500000 0.836463 0.255711 Au\n0.000000 0.163537 0.244289 Au\n0.500000 0.836463 0.744289 Au\n0.000000 0.163537 0.755711 Au\n0.500000 0.334237 0.500000 Au\n0.000000 0.665763 0.000000 Au\n",
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{
"id": "jvasp-76853",
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"updated_at": "2022-09-04T14:37:11.287384Z",
"structure_string": "Zr1 Hg1 Au2\n1.0\n-9.942266 0.000000 -5.740170\n-6.313832 -1.290525 -0.544461\n-4.810340 2.961993 -3.148587\nZr Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 Hg\n0.761406 0.000001 0.000000 Au\n0.238593 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 13.156422945575637,
"density_atomic": 0.04621518721014651,
"volume": 86.55163467826011,
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"formula_full": "Zr1 Hg1 Au2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
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{
"id": "jvasp-81072",
"created_at": "2022-09-04T14:37:19.713509Z",
"updated_at": "2022-09-04T14:37:19.713524Z",
"structure_string": "Zr1 Hg1 Au2\n1.0\n-11.251701 2.892872 -1.772109\n-8.192858 0.692896 1.200198\n-6.807551 4.611129 -1.199218\nZr Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 -0.000000 -0.000000 Hg\n0.749979 0.000013 0.000012 Au\n0.250021 -0.000013 -0.000013 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
],
"chemical_system": "Au-Hg-Zr",
"density": 14.570961407974915,
"density_atomic": 0.05118410316292224,
"volume": 78.14926418204001,
"volume_molar": 11.76564672986678,
"formula_full": "Zr1 Hg1 Au2",
"formula_reduced": "ZrHgAu2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-77090",
"created_at": "2022-09-04T14:37:13.794170Z",
"updated_at": "2022-09-04T14:37:13.794197Z",
"structure_string": "Y2 Hg1 Au1\n1.0\n-11.867651 4.230261 0.056195\n-8.396914 1.414094 2.615141\n-6.909112 5.622233 0.038192\nY Hg Au\n2 1 1\ndirect\n0.750141 -0.000069 -0.000069 Y\n0.249857 0.000070 0.000070 Y\n0.499999 0.000001 0.000000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"density": 9.883593685182419,
"density_atomic": 0.041378988459570144,
"volume": 96.66741863224254,
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"formula_full": "Y2 Hg1 Au1",
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"spacegroup": 225
},
{
"id": "jvasp-39062",
"created_at": "2022-09-04T14:37:58.107605Z",
"updated_at": "2022-09-04T14:37:58.107627Z",
"structure_string": "Sm1 Hg1 Au2\n1.0\n0.000000 3.533792 3.533792\n3.533792 0.000000 3.533792\n3.533792 3.533792 0.000000\nSm Hg Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Hg\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
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"density": 14.014715802281852,
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"volume": 88.25776905866387,
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"formula_full": "Sm1 Hg1 Au2",
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"spacegroup": 225
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{
"id": "jvasp-81940",
"created_at": "2022-09-04T14:37:05.398840Z",
"updated_at": "2022-09-04T14:37:05.398849Z",
"structure_string": "Sc1 Hg1 Au2\n1.0\n-10.948257 4.017903 0.108906\n-7.673162 1.393383 2.472589\n-6.309814 5.253351 0.069641\nSc Hg Au\n1 1 2\ndirect\n0.000000 0.000001 0.999999 Sc\n0.500000 0.000001 -0.000000 Hg\n0.750389 -0.000264 -0.000262 Au\n0.249611 0.000266 0.000262 Au\n",
"nsites": 4,
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"spacegroup": 139
},
{
"id": "jvasp-38282",
"created_at": "2022-09-04T14:37:54.751908Z",
"updated_at": "2022-09-04T14:37:54.751935Z",
"structure_string": "Rb2 Hg1 Au1\n1.0\n-0.000000 4.196130 4.196130\n4.196130 0.000000 4.196130\n4.196130 4.196130 0.000000\nRb Hg Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"Hg",
"Au"
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"density": 6.388468896918487,
"density_atomic": 0.0270696843681027,
"volume": 147.76677650195882,
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"formula_full": "Rb2 Hg1 Au1",
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"spacegroup": 225
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{
"id": "jvasp-42129",
"created_at": "2022-09-04T14:37:39.393271Z",
"updated_at": "2022-09-04T14:37:39.393297Z",
"structure_string": "Pm1 Hg1 Au2\n1.0\n0.000001 3.546927 3.546926\n3.546925 0.000001 3.546927\n3.546924 3.546926 0.000002\nPm Hg Au\n1 1 2\ndirect\n0.750002 0.749999 0.749999 Pm\n0.250001 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Au\n0.500002 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
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},
{
"id": "jvasp-38839",
"created_at": "2022-09-04T14:37:59.447113Z",
"updated_at": "2022-09-04T14:37:59.447153Z",
"structure_string": "Hg1 Pd2 Au1\n1.0\n0.000000 3.258026 3.258026\n3.258026 0.000000 3.258026\n3.258026 3.258026 -0.000000\nHg Pd Au\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Hg\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 Pd\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
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],
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"volume": 69.1661549091985,
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{
"id": "jvasp-79861",
"created_at": "2022-09-04T14:37:18.106341Z",
"updated_at": "2022-09-04T14:37:18.106369Z",
"structure_string": "Pa1 Hg1 Au2\n1.0\n0.000000 3.505067 3.505067\n3.505067 -0.000000 3.505067\n3.505067 3.505067 0.000000\nPa Hg Au\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Pa\n0.249999 0.249999 0.249999 Hg\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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},
{
"id": "jvasp-103623",
"created_at": "2022-09-04T14:36:43.585010Z",
"updated_at": "2022-09-04T14:36:43.585037Z",
"structure_string": "Nd1 Hg1 Au2\n1.0\n4.371633 -0.000000 2.523963\n1.457211 4.121615 2.523963\n-0.000000 -0.000000 5.047926\nNd Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500000 Hg\n0.750000 0.749999 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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