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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4360",
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{
"id": "jvasp-108075",
"created_at": "2022-09-04T14:38:28.486943Z",
"updated_at": "2022-09-04T14:38:28.486975Z",
"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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"volume_molar": 15.806308270848398,
"formula_full": "Sr2 Al1 Ga3",
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{
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"created_at": "2022-09-04T14:36:51.272699Z",
"updated_at": "2022-09-04T14:36:51.272718Z",
"structure_string": "Sr1 Al2 Ga2\n1.0\n4.125413 0.013089 -4.826959\n-0.552202 4.088310 -4.826959\n-0.011403 -0.013089 6.349680\nSr Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Al\n0.250001 0.750000 0.500000 Al\n0.384150 0.384150 0.000000 Ga\n0.615850 0.615850 0.000000 Ga\n",
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"volume": 106.61954920932872,
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"formula_full": "Sr1 Al2 Ga2",
"formula_reduced": "Sr(AlGa)2",
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{
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"created_at": "2022-09-04T14:38:36.590349Z",
"updated_at": "2022-09-04T14:38:36.590382Z",
"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",
"nsites": 3,
"nelements": 3,
"elements": [
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],
"chemical_system": "Al-Ga-Sm",
"density": 6.125938647040167,
"density_atomic": 0.04479549963915624,
"volume": 66.97101325280603,
"volume_molar": 13.44362895494078,
"formula_full": "Sm1 Al1 Ga1",
"formula_reduced": "SmAlGa",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Sc",
"density": 3.5472479140529796,
"density_atomic": 0.04578810980731372,
"volume": 87.35892389602597,
"volume_molar": 13.1521934085999,
"formula_full": "Sc2 Al1 Ga1",
"formula_reduced": "Sc2AlGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.69867140625,
"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,
"nelements": 3,
"elements": [
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"Ga",
"Sb"
],
"chemical_system": "Al-Ga-Sb",
"density": 4.344544636467701,
"density_atomic": 0.03326783327513875,
"volume": 300.59066117398936,
"volume_molar": 18.101992727312307,
"formula_full": "Al4 Ga1 Sb5",
"formula_reduced": "Al4GaSb5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.6982914025000002,
"spacegroup": 44
},
{
"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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],
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"density": 9.06566837845769,
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"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-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-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",
"nsites": 5,
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"elements": [
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],
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"density": 5.50451864895644,
"density_atomic": 0.04957721740271375,
"volume": 100.85277597137411,
"volume_molar": 12.146992258727211,
"formula_full": "Pr1 Al2 Ga2",
"formula_reduced": "Pr(AlGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7995260200000001,
"spacegroup": 139
},
{
"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",
"nsites": 4,
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"elements": [
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],
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"density": 6.447199971681284,
"density_atomic": 0.04016083792687105,
"volume": 99.59951551019947,
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"formula_full": "Pm2 Al1 Ga1",
"formula_reduced": "Pm2AlGa",
"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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"formula_reduced": "AlGaPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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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"volume": 50.72683507996066,
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"formula_full": "Al1 Ga1 O2",
"formula_reduced": "AlGaO2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-115090",
"created_at": "2022-09-04T14:38:44.974753Z",
"updated_at": "2022-09-04T14:38:44.974775Z",
"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",
"nsites": 4,
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],
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"volume": 49.73507775158818,
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"formula_full": "Al1 Ga1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 160
}
]
}