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{
"id": "jvasp-104766",
"created_at": "2022-09-04T14:36:55.496812Z",
"updated_at": "2022-09-04T14:36:55.496823Z",
"structure_string": "Al1 Ga1 N2\n1.0\n3.163906 -0.000000 0.000000\n-1.581952 2.740023 0.000000\n-0.000000 -0.000000 5.137860\nAl Ga N\n1 1 2\ndirect\n0.000000 0.000000 0.999181 Al\n0.666668 0.333333 0.496915 Ga\n0.666668 0.333333 0.111402 N\n0.000000 0.000000 0.628903 N\n",
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{
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"updated_at": "2022-09-04T14:37:29.032669Z",
"structure_string": "Al1 Ga1 N2\n1.0\n3.166627 0.000000 -0.000000\n0.000000 3.166627 0.000000\n-0.000000 0.000000 4.459294\nAl Ga N\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Al\n0.000000 0.000000 0.000000 Ga\n0.500001 0.000000 0.261881 N\n0.000000 0.500001 0.738118 N\n",
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"formula_full": "Al1 Ga1 N2",
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{
"id": "jvasp-35109",
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"updated_at": "2022-09-04T14:37:42.611490Z",
"structure_string": "Al1 Ga3 N4\n1.0\n4.506310 0.000000 0.000000\n0.000000 4.506310 0.000000\n-0.000000 -0.000000 4.506310\nAl Ga N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.755799 0.755799 0.244201 N\n0.755799 0.244201 0.755799 N\n0.244201 0.755799 0.755799 N\n0.244201 0.244201 0.244201 N\n",
"nsites": 8,
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"elements": [
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"density": 5.301910991759356,
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"volume": 91.50887026858959,
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"formula_full": "Al1 Ga3 N4",
"formula_reduced": "AlGa3N4",
"formula_anonymous": "AB3C4",
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"spacegroup": 215
},
{
"id": "jvasp-115089",
"created_at": "2022-09-04T14:38:44.006976Z",
"updated_at": "2022-09-04T14:38:44.006986Z",
"structure_string": "Al1 Ga1 N1\n1.0\n5.751413 -0.801393 0.000000\n-3.842171 3.200880 0.000000\n0.000000 0.000000 3.442572\nAl Ga N\n1 1 1\ndirect\n0.337153 0.084058 0.000000 Al\n0.832561 0.145664 0.000000 Ga\n0.830286 0.770280 0.000000 N\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Al-Ga-N",
"density": 3.483386210033767,
"density_atomic": 0.056843665604647,
"volume": 52.77632904368413,
"volume_molar": 10.594216076571401,
"formula_full": "Al1 Ga1 N1",
"formula_reduced": "AlGaN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8163594583333331,
"spacegroup": 25
},
{
"id": "jvasp-104764",
"created_at": "2022-09-04T14:36:58.992738Z",
"updated_at": "2022-09-04T14:36:58.992758Z",
"structure_string": "Al3 Ga1 N4\n1.0\n3.142457 -0.000000 0.000000\n0.000000 5.076982 0.003533\n-0.000000 0.000569 5.441084\nAl Ga N\n3 1 4\ndirect\n0.500000 0.499894 0.832617 Al\n0.500000 0.000500 0.164917 Al\n-0.000000 0.000793 0.668581 Al\n-0.000000 0.499163 0.333865 Ga\n-0.000000 0.109690 0.333747 N\n0.500000 0.123138 0.832829 N\n0.500000 0.626359 0.158220 N\n-0.000000 0.624064 0.675219 N\n",
"nsites": 8,
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"elements": [
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"density": 3.9538252870872337,
"density_atomic": 0.09215727414931013,
"volume": 86.80812311178678,
"volume_molar": 6.534634206132366,
"formula_full": "Al3 Ga1 N4",
"formula_reduced": "Al3GaN4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.502492965625,
"spacegroup": 6
},
{
"id": "jvasp-94739",
"created_at": "2022-09-04T14:35:50.648697Z",
"updated_at": "2022-09-04T14:35:50.648707Z",
"structure_string": "Mg6 Al1 Ga1\n1.0\n6.172841 -0.025162 0.000000\n-3.108212 5.333254 0.000000\n0.000000 0.000000 5.131996\nMg Al Ga\n6 1 1\ndirect\n0.165814 0.841956 0.250000 Mg\n0.658043 0.334186 0.250000 Mg\n0.665456 0.834544 0.250000 Mg\n0.334623 0.658324 0.750001 Mg\n0.841676 0.165377 0.750001 Mg\n0.834604 0.665396 0.750001 Mg\n0.161371 0.338629 0.250000 Al\n0.338412 0.161588 0.750001 Ga\n",
"nsites": 8,
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"elements": [
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"density": 2.3894171328811984,
"density_atomic": 0.047463446308636796,
"volume": 168.55076110527315,
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"formula_full": "Mg6 Al1 Ga1",
"formula_reduced": "Mg6AlGa",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-107321",
"created_at": "2022-09-04T14:36:59.373246Z",
"updated_at": "2022-09-04T14:36:59.373276Z",
"structure_string": "Li2 Al1 Ga1\n1.0\n3.834393 0.000000 2.213788\n1.278131 3.615100 2.213788\n0.000000 0.000000 4.427575\nLi Al Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Li\n0.000000 0.000000 0.000000 Li\n0.749999 0.750000 0.750002 Al\n0.500000 0.500000 0.500001 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.9920475926782393,
"density_atomic": 0.0651744127199016,
"volume": 61.37377895817332,
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"formula_full": "Li2 Al1 Ga1",
"formula_reduced": "Li2AlGa",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-109730",
"created_at": "2022-09-04T14:38:19.075269Z",
"updated_at": "2022-09-04T14:38:19.075295Z",
"structure_string": "La2 Al3 Ga1 Pd4\n1.0\n4.456220 -0.000000 0.000000\n0.000000 4.456220 0.000000\n0.000000 0.000000 10.018521\nLa Al Ga Pd\n2 3 1 4\ndirect\n0.500000 0.000000 0.249369 La\n-0.000000 0.500000 0.750631 La\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.879955 Al\n-0.000000 0.500000 0.120045 Al\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.630555 Pd\n-0.000000 0.500000 0.369445 Pd\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Pd"
],
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"density": 7.129363085404706,
"density_atomic": 0.050264705250280324,
"volume": 198.94675498856586,
"volume_molar": 11.980853622863759,
"formula_full": "La2 Al3 Ga1 Pd4",
"formula_reduced": "La2Al3GaPd4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.7130053525000002,
"spacegroup": 115
},
{
"id": "jvasp-100595",
"created_at": "2022-09-04T14:36:34.455847Z",
"updated_at": "2022-09-04T14:36:34.455872Z",
"structure_string": "Al1 Ga1 Ir2\n1.0\n3.723797 0.000000 2.149935\n1.241266 3.510830 2.149935\n-0.000000 0.000000 4.299870\nAl Ga Ir\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750000 0.750001 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 14.21242278467113,
"density_atomic": 0.07115556432335933,
"volume": 56.2148587821242,
"volume_molar": 8.463344809736853,
"formula_full": "Al1 Ga1 Ir2",
"formula_reduced": "AlGaIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.46074683125,
"spacegroup": 225
},
{
"id": "jvasp-106064",
"created_at": "2022-09-04T14:36:06.794732Z",
"updated_at": "2022-09-04T14:36:06.794751Z",
"structure_string": "Ho1 Al1 Ga1\n1.0\n4.408808 -0.000000 0.000000\n-2.204403 3.818139 -0.000000\n0.000000 -0.000000 3.604666\nHo Al Ga\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Ho\n0.000000 0.000000 0.500001 Al\n0.333334 0.666667 0.500001 Ga\n",
"nsites": 3,
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"elements": [
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"volume": 60.67893520521414,
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"formula_full": "Ho1 Al1 Ga1",
"formula_reduced": "HoAlGa",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-103585",
"created_at": "2022-09-04T14:36:48.525879Z",
"updated_at": "2022-09-04T14:36:48.525901Z",
"structure_string": "Al1 Ga3\n1.0\n3.771810 0.062452 -3.861502\n-0.581930 3.727171 -3.861502\n-0.052569 -0.062452 5.397683\nAl Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n",
"nsites": 4,
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"formula_full": "Al1 Ga3",
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"spacegroup": 139
},
{
"id": "jvasp-37829",
"created_at": "2022-09-04T14:37:59.148295Z",
"updated_at": "2022-09-04T14:37:59.148319Z",
"structure_string": "Al3 Ga1\n1.0\n4.102171 0.000000 0.000000\n0.000000 4.102171 0.000000\n0.000000 0.000000 4.102171\nAl Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"formula_full": "Al3 Ga1",
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}
]
}