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{
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{
"id": "jvasp-85038",
"created_at": "2022-09-04T14:37:15.753691Z",
"updated_at": "2022-09-04T14:37:15.753715Z",
"structure_string": "Sc1 Ag1 Hg2\n1.0\n-9.925669 -0.000000 -5.730588\n-10.247632 0.012168 6.288243\n-6.730170 9.961054 0.195820\nSc Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 -0.000000 0.000000 Ag\n0.742212 -0.000000 0.000000 Hg\n0.257788 -0.000000 0.000000 Hg\n",
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"density_atomic": 0.0033162301673996977,
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{
"id": "jvasp-80847",
"created_at": "2022-09-04T14:37:15.736359Z",
"updated_at": "2022-09-04T14:37:15.736377Z",
"structure_string": "Sc1 Ag2 Hg1\n1.0\n-11.339717 2.133556 -3.071962\n-7.817528 1.037381 0.539358\n-6.844295 3.785286 -1.146317\nSc Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 -0.000000 Sc\n0.732011 0.014037 0.013996 Ag\n0.267988 -0.014035 -0.013995 Ag\n0.500000 0.000000 0.000000 Hg\n",
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"spacegroup": 12
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{
"id": "jvasp-41979",
"created_at": "2022-09-04T14:37:33.107779Z",
"updated_at": "2022-09-04T14:37:33.107805Z",
"structure_string": "Sc2 Ag1 Hg1\n1.0\n0.000000 3.456623 3.456623\n3.456623 -0.000000 3.456623\n3.456623 3.456623 -0.000000\nSc Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250001 0.250001 0.250001 Ag\n0.749999 0.749999 0.749999 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Hg-Sc",
"density": 8.008472848019549,
"density_atomic": 0.04842548171252808,
"volume": 82.60114011349455,
"volume_molar": 12.435892317498665,
"formula_full": "Sc2 Ag1 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-10718",
"created_at": "2022-09-04T14:37:27.883843Z",
"updated_at": "2022-09-04T14:37:27.883858Z",
"structure_string": "Ag4 Sn2 Hg2 Se8\n1.0\n7.153936 0.000000 0.000000\n0.000000 7.492951 0.000000\n0.000000 0.000000 8.539940\nAg Sn Hg Se\n4 2 2 8\ndirect\n0.497419 0.821414 0.745084 Ag\n0.997420 0.178586 0.245084 Ag\n0.997420 0.178586 0.754916 Ag\n0.497419 0.821414 0.254916 Ag\n0.477969 0.332891 0.500000 Sn\n0.977969 0.667109 0.000000 Sn\n0.970536 0.649109 0.500000 Hg\n0.470535 0.350891 0.000000 Hg\n0.354502 0.656543 0.500000 Se\n0.854503 0.343457 0.000000 Se\n0.841325 0.314190 0.500000 Se\n0.341325 0.685810 0.000000 Se\n0.862917 0.843399 0.755861 Se\n0.862917 0.843399 0.244139 Se\n0.362917 0.156601 0.255861 Se\n0.362917 0.156601 0.744139 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Hg",
"Se"
],
"chemical_system": "Ag-Hg-Se-Sn",
"density": 6.172950703585298,
"density_atomic": 0.034951612764794866,
"volume": 457.7757286243471,
"volume_molar": 17.229936714296123,
"formula_full": "Ag4 Sn2 Hg2 Se8",
"formula_reduced": "Ag2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.5268142858333333,
"spacegroup": 31
},
{
"id": "jvasp-37231",
"created_at": "2022-09-04T14:37:54.880469Z",
"updated_at": "2022-09-04T14:37:54.880491Z",
"structure_string": "Sm1 Ag2 Hg1\n1.0\n0.000000 3.521004 3.521004\n3.521004 0.000000 3.521004\n3.521004 3.521004 0.000000\nSm Ag Hg\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sm\n0.499998 0.499998 0.499998 Ag\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Hg-Sm",
"density": 10.778599533831553,
"density_atomic": 0.04581739996642629,
"volume": 87.30307706092202,
"volume_molar": 13.143785471049988,
"formula_full": "Sm1 Ag2 Hg1",
"formula_reduced": "SmAg2Hg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37255",
"created_at": "2022-09-04T14:37:51.517194Z",
"updated_at": "2022-09-04T14:37:51.517203Z",
"structure_string": "Sm2 Ag1 Hg1\n1.0\n0.000000 3.721826 3.721826\n3.721826 -0.000000 3.721826\n3.721826 3.721826 0.000000\nSm Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.250001 0.250001 0.250001 Ag\n0.750002 0.750002 0.750002 Hg\n",
"nsites": 4,
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"elements": [
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"density": 9.810592992915346,
"density_atomic": 0.03879375326485613,
"volume": 103.1093839436171,
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"formula_full": "Sm2 Ag1 Hg1",
"formula_reduced": "Sm2AgHg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40320",
"created_at": "2022-09-04T14:37:44.188881Z",
"updated_at": "2022-09-04T14:37:44.188897Z",
"structure_string": "Sm1 Ag1 Hg2\n1.0\n0.000000 3.574508 3.574508\n3.574508 0.000000 3.574508\n3.574508 3.574508 0.000000\nSm Ag Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250001 0.250001 0.250001 Ag\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density": 11.987389727657249,
"density_atomic": 0.043790628208673923,
"volume": 91.3437455370346,
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"formula_full": "Sm1 Ag1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-79088",
"created_at": "2022-09-04T14:37:11.766132Z",
"updated_at": "2022-09-04T14:37:11.766156Z",
"structure_string": "Tb1 Ag1 Hg2\n1.0\n0.000000 3.537806 3.537806\n3.537806 0.000000 3.537806\n3.537806 3.537806 0.000000\nTb Ag Hg\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Tb\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
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"density": 12.524959356391644,
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"volume": 88.5588642381064,
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"formula_full": "Tb1 Ag1 Hg2",
"formula_reduced": "TbAgHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-99850",
"created_at": "2022-09-04T14:36:21.203748Z",
"updated_at": "2022-09-04T14:36:21.203780Z",
"structure_string": "Th1 Ag1 Hg2\n1.0\n4.445085 0.000000 2.566371\n1.481695 4.190866 2.566371\n-0.000000 -0.000000 5.132741\nTh Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.499999 0.500000 0.500000 Ag\n0.249999 0.250000 0.250000 Hg\n0.749998 0.750001 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Hg-Th",
"density": 12.87018127143701,
"density_atomic": 0.041833749960547846,
"volume": 95.61657761430138,
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"formula_full": "Th1 Ag1 Hg2",
"formula_reduced": "ThAgHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-5782",
"created_at": "2022-09-04T14:38:37.178462Z",
"updated_at": "2022-09-04T14:38:37.178487Z",
"structure_string": "Ti1 Ag1 Hg2\n1.0\n4.410012 0.000000 0.000000\n0.000000 4.410012 0.000000\n0.000000 0.000000 4.059571\nTi Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"spacegroup": 123
},
{
"id": "jvasp-18583",
"created_at": "2022-09-04T14:36:17.619263Z",
"updated_at": "2022-09-04T14:36:17.619289Z",
"structure_string": "Ti1 Ag1 Hg2\n1.0\n4.410012 0.000000 0.000000\n0.000000 4.410012 0.000000\n0.000000 -0.000000 4.059571\nTi Ag Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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},
{
"id": "jvasp-37391",
"created_at": "2022-09-04T14:38:02.294406Z",
"updated_at": "2022-09-04T14:38:02.294431Z",
"structure_string": "Tm2 Ag1 Hg1\n1.0\n0.000000 3.603032 3.603032\n3.603032 -0.000000 3.603032\n3.603032 3.603032 -0.000000\nTm Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Ag\n0.750001 0.750001 0.750001 Hg\n",
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"formula_full": "Tm2 Ag1 Hg1",
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"spacegroup": 225
}
]
}