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{
"id": "jvasp-80808",
"created_at": "2022-09-04T14:37:15.670234Z",
"updated_at": "2022-09-04T14:37:15.670251Z",
"structure_string": "Na2 Hg1 Au1\n1.0\n-9.976140 0.000000 -5.759727\n-6.472739 -0.509615 -0.308342\n-5.242725 2.969390 -2.438788\nNa Hg Au\n2 1 1\ndirect\n0.757633 -0.000001 -0.000000 Na\n0.242367 -0.000000 -0.000000 Na\n0.500000 -0.000000 -0.000000 Hg\n0.000000 0.000000 0.000000 Au\n",
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],
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"density_atomic": 0.038256162315935704,
"volume": 104.55831839498939,
"volume_molar": 15.741622775088084,
"formula_full": "Na2 Hg1 Au1",
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"spacegroup": 139
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{
"id": "jvasp-76711",
"created_at": "2022-09-04T14:36:33.506309Z",
"updated_at": "2022-09-04T14:36:33.506335Z",
"structure_string": "Na2 Hg1 Au1\n1.0\n-9.978413 0.000000 -5.761039\n-6.474023 -0.510348 -0.308741\n-5.243565 2.969915 -2.439958\nNa Hg Au\n2 1 1\ndirect\n0.757699 -0.000001 -0.000000 Na\n0.242302 -0.000000 -0.000000 Na\n0.500000 -0.000000 -0.000000 Hg\n0.000000 0.000000 0.000000 Au\n",
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"volume": 104.61105379202434,
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"formula_full": "Na2 Hg1 Au1",
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{
"id": "jvasp-106776",
"created_at": "2022-09-04T14:36:47.838466Z",
"updated_at": "2022-09-04T14:36:47.838500Z",
"structure_string": "Mn4 Hg3 Au1\n1.0\n3.189329 -0.000000 0.000000\n0.000000 3.189329 0.000000\n-0.000000 -0.000000 13.876354\nMn Hg Au\n4 3 1\ndirect\n0.500000 0.500000 0.115002 Mn\n0.500000 0.500000 0.372175 Mn\n0.500000 0.500000 0.627825 Mn\n0.500000 0.500000 0.884997 Mn\n0.000000 0.000000 0.244457 Hg\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.755543 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Hg",
"Au"
],
"chemical_system": "Au-Hg-Mn",
"density": 11.982055281848105,
"density_atomic": 0.05667818999251559,
"volume": 141.14776779315656,
"volume_molar": 10.62514657012729,
"formula_full": "Mn4 Hg3 Au1",
"formula_reduced": "Mn4Hg3Au",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.846727541939655,
"spacegroup": 123
},
{
"id": "jvasp-105446",
"created_at": "2022-09-04T14:36:54.653992Z",
"updated_at": "2022-09-04T14:36:54.654005Z",
"structure_string": "Mn4 Hg3 Au1\n1.0\n3.315244 -0.000000 0.000000\n0.000000 4.615168 0.000000\n-0.000000 -0.000000 9.244378\nMn Hg Au\n4 3 1\ndirect\n0.499999 0.500000 0.134932 Mn\n0.499999 0.500000 0.614655 Mn\n0.499999 0.000000 0.375156 Mn\n0.499999 0.000000 0.875231 Mn\n-0.000000 0.500000 0.874824 Hg\n0.000000 0.000000 0.125619 Hg\n0.000000 0.000000 0.624752 Hg\n-0.000000 0.500000 0.374831 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Mn",
"density": 11.95706597355637,
"density_atomic": 0.05655998416473192,
"volume": 141.44275530028196,
"volume_molar": 10.647352273756676,
"formula_full": "Mn4 Hg3 Au1",
"formula_reduced": "Mn4Hg3Au",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.8469350419396549,
"spacegroup": 47
},
{
"id": "jvasp-108104",
"created_at": "2022-09-04T14:36:19.993713Z",
"updated_at": "2022-09-04T14:36:19.993733Z",
"structure_string": "Mg3 Hg1 Au2\n1.0\n3.323611 -0.000000 0.000000\n0.000000 3.323611 0.000000\n-0.000000 -0.000000 10.234938\nMg Hg Au\n3 1 2\ndirect\n0.500000 0.500000 0.186224 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.813777 Mg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.340582 Au\n0.000000 0.000000 0.659419 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Mg",
"density": 9.802898928943005,
"density_atomic": 0.053069581013258545,
"volume": 113.05911758566552,
"volume_molar": 11.347632005037818,
"formula_full": "Mg3 Hg1 Au2",
"formula_reduced": "Mg3HgAu2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-110448",
"created_at": "2022-09-04T14:38:38.730887Z",
"updated_at": "2022-09-04T14:38:38.730914Z",
"structure_string": "Mg2 Hg1 Au1\n1.0\n4.128605 0.000000 2.383651\n1.376202 3.892486 2.383651\n0.000000 0.000000 4.767303\nMg Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500001 0.499999 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
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"chemical_system": "Au-Hg-Mg",
"density": 9.670367396625752,
"density_atomic": 0.0522103785714346,
"volume": 76.61312002415711,
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"formula_full": "Mg2 Hg1 Au1",
"formula_reduced": "Mg2HgAu",
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"spacegroup": 225
},
{
"id": "jvasp-37651",
"created_at": "2022-09-04T14:38:02.590754Z",
"updated_at": "2022-09-04T14:38:02.590779Z",
"structure_string": "Lu2 Hg1 Au1\n1.0\n0.000000 3.561023 3.561023\n3.561023 0.000000 3.561023\n3.561023 3.561023 0.000000\nLu Hg Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.750000 0.750000 0.750000 Hg\n0.250001 0.250001 0.250001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Au"
],
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"density": 13.7435992558837,
"density_atomic": 0.04428999788307163,
"volume": 90.31384491280065,
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"formula_full": "Lu2 Hg1 Au1",
"formula_reduced": "Lu2HgAu",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-81866",
"created_at": "2022-09-04T14:37:18.135298Z",
"updated_at": "2022-09-04T14:37:18.135315Z",
"structure_string": "Li1 Hg2 Au1\n1.0\n-10.744186 3.782612 -9.322289\n-6.207899 1.295938 -2.213902\n-5.949003 4.481581 -4.671768\nLi Hg Au\n1 2 1\ndirect\n-0.000000 -0.000000 0.000000 Li\n0.680680 -0.139459 0.139163 Hg\n0.319320 0.139460 -0.139165 Hg\n0.500000 0.000001 -0.000001 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
],
"chemical_system": "Au-Hg-Li",
"density": 11.67657939685068,
"density_atomic": 0.04648451453971357,
"volume": 86.05016185729208,
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"formula_full": "Li1 Hg2 Au1",
"formula_reduced": "LiHg2Au",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-39686",
"created_at": "2022-09-04T14:37:53.312571Z",
"updated_at": "2022-09-04T14:37:53.312596Z",
"structure_string": "Li2 Hg1 Au1\n1.0\n-0.000000 3.205379 3.205379\n3.205379 0.000000 3.205379\n3.205379 3.205379 -0.000000\nLi Hg Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.750001 0.750001 0.750001 Hg\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
],
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"density_atomic": 0.06072839925714134,
"volume": 65.86704159717533,
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"formula_full": "Li2 Hg1 Au1",
"formula_reduced": "Li2HgAu",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-107179",
"created_at": "2022-09-04T14:36:52.772147Z",
"updated_at": "2022-09-04T14:36:52.772173Z",
"structure_string": "K2 Hg1 Au1\n1.0\n4.922495 0.000000 2.842004\n1.640832 4.640973 2.842004\n0.000000 0.000000 5.684007\nK Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
"K",
"Hg",
"Au"
],
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"density": 6.083897067549556,
"density_atomic": 0.03080427995870774,
"volume": 129.85208566348203,
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"formula_full": "K2 Hg1 Au1",
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},
{
"id": "jvasp-39149",
"created_at": "2022-09-04T14:37:57.884783Z",
"updated_at": "2022-09-04T14:37:57.884800Z",
"structure_string": "Hg3 Au1\n1.0\n4.490935 0.000000 0.000000\n-0.000000 4.490935 -0.000000\n-0.000000 0.000000 4.490935\nHg Au\n3 1\ndirect\n0.000000 0.500001 0.500001 Hg\n0.500001 0.000000 0.500001 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"volume": 90.57540985712816,
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"formula_full": "Hg3 Au1",
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"spacegroup": 221
},
{
"id": "jvasp-39292",
"created_at": "2022-09-04T14:37:56.257599Z",
"updated_at": "2022-09-04T14:37:56.257614Z",
"structure_string": "Hg6 Au2\n1.0\n2.995358 -5.188114 0.000000\n2.995358 5.188114 -0.000000\n-0.000000 -0.000000 5.924907\nHg Au\n6 2\ndirect\n0.664658 0.832329 0.750000 Hg\n0.167671 0.335342 0.750000 Hg\n0.167672 0.832329 0.750000 Hg\n0.335342 0.167671 0.250000 Hg\n0.832329 0.664658 0.250000 Hg\n0.832329 0.167672 0.250000 Hg\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
"nsites": 8,
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"volume": 184.1491759933901,
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"formula_full": "Hg6 Au2",
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"spacegroup": 194
}
]
}