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{
"id": "jvasp-35109",
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"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",
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{
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"structure_string": "Al1 Ga3\n1.0\n4.485656 -0.010463 -0.000567\n-2.180401 3.920085 0.000567\n-0.000500 0.000295 4.588975\nAl Ga\n1 3\ndirect\n0.159358 0.840642 0.918484 Al\n0.342309 0.657692 0.416110 Ga\n0.845074 0.154928 0.080920 Ga\n0.653261 0.346739 0.584488 Ga\n",
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{
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"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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"elements": [
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"volume": 74.28390787971406,
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"formula_full": "Al1 Ga3",
"formula_reduced": "AlGa3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-81193",
"created_at": "2022-09-04T14:37:09.404525Z",
"updated_at": "2022-09-04T14:37:09.404553Z",
"structure_string": "Al1 Ga1 Ru2\n1.0\n-8.847344 -0.000001 -5.108017\n-5.769445 0.278117 -0.223061\n-5.003369 2.444908 -1.549944\nAl Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 -0.000001 0.000000 Ga\n0.739932 -0.000002 0.000000 Ru\n0.260068 -0.000001 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.761882959815718,
"density_atomic": 0.06256517449746579,
"volume": 63.933330836662506,
"volume_molar": 9.625387938850755,
"formula_full": "Al1 Ga1 Ru2",
"formula_reduced": "AlGaRu2",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-104554",
"created_at": "2022-09-04T14:36:54.356747Z",
"updated_at": "2022-09-04T14:36:54.356760Z",
"structure_string": "Al1 Ga1 Ru2\n1.0\n3.690913 -0.000000 2.130950\n1.230304 3.479826 2.130950\n-0.000000 -0.000000 4.261900\nAl Ga Ru\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.249999 0.250000 0.250000 Ru\n0.749998 0.750001 0.750001 Ru\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.07307442368956173,
"volume": 54.73871428658804,
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"formula_full": "Al1 Ga1 Ru2",
"formula_reduced": "AlGaRu2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80883",
"created_at": "2022-09-04T14:37:15.875276Z",
"updated_at": "2022-09-04T14:37:15.875294Z",
"structure_string": "Al1 Ga1 Pd2\n1.0\n-6.350346 -2.745050 -8.149023\n-3.696776 -2.055537 -1.102444\n-2.429906 1.527713 -3.296729\nAl Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.000001 0.000001 Ga\n0.749672 0.000305 0.000306 Pd\n0.250327 -0.000302 -0.000305 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.69770587233027,
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"formula_full": "Al1 Ga1 Pd2",
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{
"id": "jvasp-115091",
"created_at": "2022-09-04T14:38:42.791137Z",
"updated_at": "2022-09-04T14:38:42.791161Z",
"structure_string": "Al1 Ga1 O4\n1.0\n3.211519 -3.167822 0.000000\n3.211519 3.167822 0.000000\n0.000000 0.000000 2.955117\nAl Ga O\n1 1 4\ndirect\n0.000000 0.000000 0.000707 Al\n0.500001 0.500001 0.500650 Ga\n0.292683 0.707319 0.000650 O\n0.808945 0.808945 0.500720 O\n0.707319 0.292683 0.000650 O\n0.191056 0.191056 0.500720 O\n",
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"formula_full": "Al1 Ga1 O4",
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"formula_anonymous": "ABC4",
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"spacegroup": 65
},
{
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"created_at": "2022-09-04T14:38:42.801815Z",
"updated_at": "2022-09-04T14:38:42.801841Z",
"structure_string": "Al1 Ga1 O4\n1.0\n3.211325 -3.167993 0.000000\n3.211325 3.167993 0.000000\n0.000000 0.000000 2.954927\nAl Ga O\n1 1 4\ndirect\n0.499999 0.499999 0.500001 Al\n0.000000 0.000000 0.000000 Ga\n0.691072 0.691072 0.000000 O\n0.792662 0.207335 0.500001 O\n0.207335 0.792662 0.500001 O\n0.308925 0.308925 0.000000 O\n",
"nsites": 6,
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"formula_full": "Al1 Ga1 O4",
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},
{
"id": "jvasp-115094",
"created_at": "2022-09-04T14:38:44.075818Z",
"updated_at": "2022-09-04T14:38:44.075830Z",
"structure_string": "Al1 Ga1 O3\n1.0\n3.771947 0.000000 -0.000000\n0.000000 3.771947 -0.000000\n0.000000 -0.000000 3.771947\nAl Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Al1 Ga1 O3",
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},
{
"id": "jvasp-115096",
"created_at": "2022-09-04T14:38:44.712278Z",
"updated_at": "2022-09-04T14:38:44.712315Z",
"structure_string": "Al1 Ga1 O2\n1.0\n2.725765 0.000000 0.000000\n0.000000 2.725765 -0.000000\n-0.000000 0.000000 6.827488\nAl Ga O\n1 1 2\ndirect\n0.500000 0.500000 0.594431 Al\n0.000000 0.000000 0.031536 Ga\n0.000000 0.000000 0.536080 O\n0.500000 0.500000 0.847955 O\n",
"nsites": 4,
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},
{
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"structure_string": "Al1 Ga1 O2\n1.0\n1.475848 0.852081 6.591570\n-1.475848 0.852081 6.591570\n0.000000 -1.704163 6.591570\nAl Ga O\n1 1 2\ndirect\n0.179399 0.179399 0.179399 Al\n0.997938 0.997938 0.997938 Ga\n0.270656 0.270656 0.270656 O\n0.711008 0.711008 0.711008 O\n",
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},
{
"id": "jvasp-113790",
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"structure_string": "Al1 Ga1 Ni6\n1.0\n3.572018 0.000000 0.000000\n0.000000 3.572018 0.000000\n0.000000 0.000000 7.152774\nAl Ga Ni\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.248940 Ni\n0.500000 0.000000 0.751059 Ni\n0.000000 0.500000 0.248940 Ni\n0.000000 0.500000 0.751059 Ni\n",
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}
]
}