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{
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{
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"structure_string": "Sr2 Al1 Ga3\n1.0\n4.373821 -0.000000 0.000000\n-2.186910 3.787840 0.000000\n-0.000000 -0.000000 9.505570\nSr Al Ga\n2 1 3\ndirect\n0.000000 0.000000 0.752234 Sr\n0.000000 0.000000 0.247766 Sr\n0.333333 0.666667 0.500000 Al\n0.333333 0.666667 -0.000000 Ga\n0.666667 0.333333 0.500000 Ga\n0.666667 0.333333 -0.000000 Ga\n",
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{
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"structure_string": "Sm1 Al1 Ga1\n1.0\n4.296593 -0.000000 0.000000\n-2.148296 3.720959 0.000000\n0.000000 -0.000000 4.188975\nSm Al Ga\n1 1 1\ndirect\n0.333333 0.666667 -0.000000 Sm\n0.666666 0.333333 0.500001 Al\n0.000000 0.000000 0.500001 Ga\n",
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"formula_full": "Sm1 Al1 Ga1",
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{
"id": "jvasp-81548",
"created_at": "2022-09-04T14:37:16.089889Z",
"updated_at": "2022-09-04T14:37:16.089927Z",
"structure_string": "Sc2 Al1 Ga1\n1.0\n-9.916902 -0.000001 -5.725527\n-3.430867 -0.471974 -5.508616\n-4.226766 -2.723115 -4.130079\nSc Al Ga\n2 1 1\ndirect\n0.745824 0.000001 -0.000000 Sc\n0.254176 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Al\n0.500000 0.000001 -0.000000 Ga\n",
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"elements": [
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"density": 3.5472479140529796,
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"volume": 87.35892389602597,
"volume_molar": 13.1521934085999,
"formula_full": "Sc2 Al1 Ga1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-101747",
"created_at": "2022-09-04T14:36:48.902137Z",
"updated_at": "2022-09-04T14:36:48.902168Z",
"structure_string": "Al4 Ga1 Sb5\n1.0\n5.990037 0.002302 -9.973745\n-0.232269 4.314358 -10.802245\n0.001686 -0.002302 11.634265\nAl Ga Sb\n4 1 5\ndirect\n0.400255 0.400180 0.000075 Al\n0.799880 0.800194 0.999689 Al\n0.199494 0.199807 0.999688 Al\n0.599895 0.599820 0.000076 Al\n0.000337 0.000000 0.000337 Ga\n0.750853 0.500000 0.250854 Sb\n0.150253 0.900208 0.250046 Sb\n0.549544 0.299946 0.249599 Sb\n0.949653 0.700054 0.249599 Sb\n0.349838 0.099792 0.250046 Sb\n",
"nsites": 10,
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"elements": [
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"density": 4.344544636467701,
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"volume": 300.59066117398936,
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"formula_full": "Al4 Ga1 Sb5",
"formula_reduced": "Al4GaSb5",
"formula_anonymous": "AB4C5",
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"spacegroup": 44
},
{
"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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"formula_full": "Al1 Ga1 Ru2",
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{
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"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",
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"elements": [
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},
{
"id": "jvasp-56460",
"created_at": "2022-09-04T14:37:42.616407Z",
"updated_at": "2022-09-04T14:37:42.616420Z",
"structure_string": "Pr1 Al2 Ga2\n1.0\n3.989834 -0.000208 -1.414918\n-0.501829 3.958157 -1.414929\n0.014262 0.016165 6.374642\nPr Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250029 0.749972 0.500000 Al\n0.749969 0.250029 0.499999 Al\n0.612111 0.612113 0.224241 Ga\n0.387887 0.387888 0.775759 Ga\n",
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"formula_full": "Pr1 Al2 Ga2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-99639",
"created_at": "2022-09-04T14:36:36.728762Z",
"updated_at": "2022-09-04T14:36:36.728781Z",
"structure_string": "Pm2 Al1 Ga1\n1.0\n4.505967 -0.000000 2.601521\n1.501989 4.248267 2.601521\n-0.000000 -0.000000 5.203043\nPm Al Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750001 0.749999 Pm\n0.500000 0.500000 0.499999 Al\n0.000000 0.000000 0.000000 Ga\n",
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"formula_full": "Pm2 Al1 Ga1",
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},
{
"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",
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{
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"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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{
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"created_at": "2022-09-04T14:38:42.801815Z",
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"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",
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