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{
"id": "jvasp-111287",
"created_at": "2022-09-04T14:38:49.634923Z",
"updated_at": "2022-09-04T14:38:49.634950Z",
"structure_string": "Nd2 Ga1 Ag1\n1.0\n4.556081 -0.000000 2.630455\n1.518694 4.295515 2.630455\n-0.000000 -0.000000 5.260909\nNd Ga Ag\n2 1 1\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Ga\n0.500000 0.499999 0.500000 Ag\n",
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{
"id": "jvasp-115660",
"created_at": "2022-09-04T14:38:42.699812Z",
"updated_at": "2022-09-04T14:38:42.699841Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n1.508550 0.870962 6.245926\n-1.508550 0.870962 6.245926\n-0.000000 -1.741923 6.245926\nGa Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500002 Ga\n0.000000 0.000000 0.000000 Ag\n0.887421 0.887421 0.887426 O\n0.112578 0.112578 0.112579 O\n",
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"formula_full": "Ga1 Ag1 O2",
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{
"id": "jvasp-3144",
"created_at": "2022-09-04T14:35:54.604809Z",
"updated_at": "2022-09-04T14:35:54.604830Z",
"structure_string": "Ga2 Ag2 O4\n1.0\n1.509936 -2.615286 0.000000\n1.509936 2.615286 0.000000\n0.000000 0.000000 12.480020\nGa Ag O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.333334 0.666669 0.250000 Ag\n0.666669 0.333334 0.750000 Ag\n0.666669 0.333334 0.581280 O\n0.333334 0.666669 0.081280 O\n0.666669 0.333334 0.918720 O\n0.333334 0.666669 0.418720 O\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.08116466141693901,
"volume": 98.56506341971144,
"volume_molar": 7.419658574147865,
"formula_full": "Ga2 Ag2 O4",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
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"spacegroup": 194
},
{
"id": "jvasp-79761",
"created_at": "2022-09-04T14:37:17.805436Z",
"updated_at": "2022-09-04T14:37:17.805456Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n-1.496231 2.591547 0.000000\n-2.992461 -0.000000 -0.000000\n-1.496231 0.863848 6.168123\nGa Ag O\n1 1 2\ndirect\n0.002066 0.002065 0.993804 Ga\n0.839748 0.839746 0.480758 Ag\n0.722608 0.722606 0.832180 O\n0.276582 0.276581 0.170257 O\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Ga-O",
"density": 7.2757713270573285,
"density_atomic": 0.0836217741003922,
"volume": 47.834431199675294,
"volume_molar": 7.201641946474507,
"formula_full": "Ga1 Ag1 O2",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7023116462499999,
"spacegroup": 160
},
{
"id": "jvasp-78874",
"created_at": "2022-09-04T14:37:12.224979Z",
"updated_at": "2022-09-04T14:37:12.225002Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n-2.920973 0.000000 0.766303\n-1.561004 2.585066 -0.000000\n-3.059114 -0.083416 -5.710451\nGa Ag O\n1 1 2\ndirect\n0.499998 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ag\n0.887519 0.887523 0.337435 O\n0.112478 0.112477 0.662565 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.062516625895141,
"density_atomic": 0.08117079871306601,
"volume": 49.27880547461118,
"volume_molar": 7.419097576319179,
"formula_full": "Ga1 Ag1 O2",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6804541462499999,
"spacegroup": 166
},
{
"id": "jvasp-79763",
"created_at": "2022-09-04T14:37:12.646236Z",
"updated_at": "2022-09-04T14:37:12.646259Z",
"structure_string": "Pm2 Ga1 Ag1\n1.0\n-0.000000 3.687986 3.687986\n3.687986 0.000000 3.687986\n3.687986 3.687986 0.000000\nPm Ga Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500002 0.500002 0.500002 Pm\n0.750000 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
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],
"chemical_system": "Ag-Ga-Pm",
"density": 7.73958438514169,
"density_atomic": 0.03987146602188265,
"volume": 100.32237083544108,
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"formula_full": "Pm2 Ga1 Ag1",
"formula_reduced": "Pm2GaAg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-42124",
"created_at": "2022-09-04T14:37:36.435434Z",
"updated_at": "2022-09-04T14:37:36.435453Z",
"structure_string": "Pm1 Ga1 Ag2\n1.0\n-0.000000 3.468669 3.468669\n3.468669 0.000000 3.468669\n3.468669 3.468669 -0.000000\nPm Ga Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ag-Ga-Pm",
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"volume": 83.4677242517841,
"volume_molar": 12.566359609027739,
"formula_full": "Pm1 Ga1 Ag2",
"formula_reduced": "PmGaAg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-27498",
"created_at": "2022-09-04T14:38:13.626151Z",
"updated_at": "2022-09-04T14:38:13.626169Z",
"structure_string": "Ga2 Ag2 P4 Se12\n1.0\n3.220426 -5.577941 0.000000\n3.220426 5.577941 0.000000\n0.000000 -0.000000 13.404905\nGa Ag P Se\n2 2 4 12\ndirect\n-0.000000 -0.000000 0.750000 Ga\n-0.000000 -0.000000 0.250000 Ga\n0.666668 0.333334 0.250000 Ag\n0.333334 0.666668 0.750000 Ag\n0.333334 0.666668 0.334759 P\n0.333334 0.666668 0.165241 P\n0.666668 0.333334 0.665241 P\n0.666668 0.333334 0.834760 P\n0.680183 0.984494 0.379673 Se\n0.304312 0.319818 0.379673 Se\n0.015507 0.695689 0.379673 Se\n0.680183 0.695689 0.120328 Se\n0.304312 0.984494 0.120328 Se\n0.984494 0.304312 0.620328 Se\n0.319818 0.015507 0.620328 Se\n0.984494 0.680183 0.879673 Se\n0.695689 0.680183 0.620328 Se\n0.695689 0.015507 0.879673 Se\n0.015507 0.319818 0.120328 Se\n0.319818 0.304312 0.879673 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ag",
"P",
"Se"
],
"chemical_system": "Ag-Ga-P-Se",
"density": 4.918917782502354,
"density_atomic": 0.0415287652797387,
"volume": 481.593899199255,
"volume_molar": 14.501131250675826,
"formula_full": "Ga2 Ag2 P4 Se12",
"formula_reduced": "GaAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6092950785,
"spacegroup": 163
},
{
"id": "jvasp-4513",
"created_at": "2022-09-04T14:36:51.171433Z",
"updated_at": "2022-09-04T14:36:51.171451Z",
"structure_string": "Ga2 Ag2 P4 Se12\n1.0\n3.220430 -5.577948 0.000000\n3.220430 5.577948 0.000000\n0.000000 0.000000 13.404891\nGa Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 Ga\n0.000000 0.000000 0.250000 Ga\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n0.333333 0.666667 0.334759 P\n0.333333 0.666667 0.165241 P\n0.666667 0.333333 0.665241 P\n0.666667 0.333333 0.834759 P\n0.680182 0.984493 0.379672 Se\n0.304312 0.319818 0.379672 Se\n0.015507 0.695689 0.379672 Se\n0.680182 0.695688 0.120328 Se\n0.304311 0.984493 0.120328 Se\n0.984493 0.304311 0.620328 Se\n0.319818 0.015507 0.620328 Se\n0.984493 0.680182 0.879672 Se\n0.695688 0.680182 0.620328 Se\n0.695689 0.015507 0.879672 Se\n0.015507 0.319818 0.120328 Se\n0.319818 0.304312 0.879672 Se\n",
"nsites": 20,
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],
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"formula_full": "Ga2 Ag2 P4 Se12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 163
},
{
"id": "jvasp-79760",
"created_at": "2022-09-04T14:37:13.927061Z",
"updated_at": "2022-09-04T14:37:13.927088Z",
"structure_string": "Ga1 Ag1 S2\n1.0\n-1.797256 3.112938 -0.000000\n-3.594511 -0.000000 -0.000000\n-1.797256 1.037646 6.940767\nGa Ag S\n1 1 2\ndirect\n0.001559 0.001558 0.995326 Ga\n0.845159 0.845159 0.464525 Ag\n0.729383 0.729383 0.811854 S\n0.264902 0.264901 0.205296 S\n",
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"density": 5.168280611394609,
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"volume": 77.66364212896742,
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"formula_full": "Ga1 Ag1 S2",
"formula_reduced": "GaAgS2",
"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-114654",
"created_at": "2022-09-04T14:38:43.053307Z",
"updated_at": "2022-09-04T14:38:43.053334Z",
"structure_string": "Ga2 Ag2 S2\n1.0\n2.826657 -3.914241 0.000000\n2.826657 3.914241 -0.000000\n0.000000 -0.000000 5.934318\nGa Ag S\n2 2 2\ndirect\n0.351585 0.648418 0.250000 Ga\n0.648418 0.351585 0.750000 Ga\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.246438 0.753564 0.750000 S\n0.753564 0.246438 0.250000 S\n",
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"volume": 131.31716090253093,
"volume_molar": 13.18017378597683,
"formula_full": "Ga2 Ag2 S2",
"formula_reduced": "GaAgS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3258831950000002,
"spacegroup": 63
},
{
"id": "jvasp-114655",
"created_at": "2022-09-04T14:38:43.002796Z",
"updated_at": "2022-09-04T14:38:43.002823Z",
"structure_string": "Ga1 Ag3 S2\n1.0\n3.144947 1.815736 4.326788\n-3.144947 1.815736 4.326788\n-0.000000 -3.631471 4.326788\nGa Ag S\n1 3 2\ndirect\n0.500001 0.500001 0.500001 Ga\n0.000000 0.500001 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500001 0.000000 0.000000 Ag\n0.715585 0.715585 0.715584 S\n0.284417 0.284417 0.284417 S\n",
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"elements": [
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"formula_full": "Ga1 Ag3 S2",
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"spacegroup": 166
}
]
}