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{
"id": "jvasp-40947",
"created_at": "2022-09-04T14:37:36.022922Z",
"updated_at": "2022-09-04T14:37:36.022953Z",
"structure_string": "Ir3 Rh1\n1.0\n-1.934002 1.934002 3.871797\n1.934002 -1.934002 3.871797\n1.934002 1.934002 -3.871797\nIr Rh\n3 1\ndirect\n0.749999 0.250000 0.499998 Ir\n0.250000 0.749999 0.499998 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:03.348095Z",
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"structure_string": "Ir3 Ru1\n1.0\n-1.931517 1.931517 3.866365\n1.931517 -1.931517 3.866365\n1.931517 1.931517 -3.866365\nIr Ru\n3 1\ndirect\n0.749999 0.250000 0.499999 Ir\n0.250000 0.749999 0.499999 Ir\n0.499998 0.499998 0.000000 Ir\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "jvasp-119500",
"created_at": "2022-09-04T14:38:52.992134Z",
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"structure_string": "Hf4 Pt16\n1.0\n4.019586 0.000000 0.000000\n0.000000 4.019586 0.000000\n0.000000 0.000000 20.195094\nHf Pt\n4 16\ndirect\n0.000000 0.000000 0.196139 Hf\n0.000000 0.000000 0.399248 Hf\n0.000000 0.000000 0.600752 Hf\n0.000000 0.000000 0.803860 Hf\n-0.000000 0.500000 0.699617 Pt\n-0.000000 0.500000 0.500000 Pt\n-0.000000 0.500000 0.300383 Pt\n-0.000000 0.500000 0.101668 Pt\n0.500000 0.000000 0.898332 Pt\n0.500000 0.000000 0.699617 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.000000 0.101668 Pt\n-0.000000 0.500000 0.898332 Pt\n0.500000 0.500000 0.799134 Pt\n0.500000 0.500000 0.599762 Pt\n0.500000 0.500000 0.400238 Pt\n0.500000 0.500000 0.200865 Pt\n0.500000 0.500000 -0.000000 Pt\n0.500000 0.000000 0.300383 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Hf-Pt",
"density": 19.51822688368246,
"density_atomic": 0.06129449437112247,
"volume": 326.29357995687377,
"volume_molar": 9.824929337923045,
"formula_full": "Hf4 Pt16",
"formula_reduced": "HfPt4",
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"spacegroup": 123
},
{
"id": "jvasp-20598",
"created_at": "2022-09-04T14:38:16.303429Z",
"updated_at": "2022-09-04T14:38:16.303451Z",
"structure_string": "Np2 Ir4\n1.0\n4.587324 0.000000 2.648493\n1.529108 4.324971 2.648493\n0.000000 0.000000 5.296985\nNp Ir\n2 4\ndirect\n0.875000 0.875000 0.875000 Np\n0.125000 0.125000 0.125000 Np\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
"nsites": 6,
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"elements": [
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],
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"density": 19.638248256410034,
"density_atomic": 0.05709260934586557,
"volume": 105.09241158784937,
"volume_molar": 10.5480215898314,
"formula_full": "Np2 Ir4",
"formula_reduced": "NpIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.719470733333333,
"spacegroup": 227
},
{
"id": "jvasp-100502",
"created_at": "2022-09-04T14:36:55.759918Z",
"updated_at": "2022-09-04T14:36:55.759949Z",
"structure_string": "Pu3 Ru1\n1.0\n3.644526 0.271684 -4.661597\n-0.221948 3.647892 -4.661597\n-0.237234 -0.271684 5.912424\nPu Ru\n3 1\ndirect\n0.750003 0.250000 0.500002 Pu\n0.250000 0.750002 0.500001 Pu\n0.499999 0.499998 -0.000001 Pu\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"density": 19.66915192896447,
"density_atomic": 0.05687416499789141,
"volume": 70.33070287973983,
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"formula_full": "Pu3 Ru1",
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"spacegroup": 139
},
{
"id": "jvasp-36132",
"created_at": "2022-09-04T14:37:12.692663Z",
"updated_at": "2022-09-04T14:37:12.692688Z",
"structure_string": "Hf1 Os3\n1.0\n3.983782 0.000000 0.000000\n-0.000000 3.983782 -0.000000\n0.000000 -0.000000 3.983782\nHf Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"density": 19.676532964295504,
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"volume": 63.2246880165725,
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"spacegroup": 221
},
{
"id": "jvasp-18769",
"created_at": "2022-09-04T14:37:02.173666Z",
"updated_at": "2022-09-04T14:37:02.173684Z",
"structure_string": "Pu2 Os4\n1.0\n4.580893 0.000000 2.644780\n1.526965 4.318908 2.644780\n0.000000 0.000000 5.289560\nPu Os\n2 4\ndirect\n0.874998 0.875000 0.875000 Pu\n0.125000 0.125000 0.125000 Pu\n0.499999 0.500000 0.500000 Os\n0.499999 0.500000 0.000000 Os\n-0.000001 0.500000 0.500000 Os\n0.500000 -0.000000 0.500000 Os\n",
"nsites": 6,
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"elements": [
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"volume": 104.65106403703783,
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"formula_full": "Pu2 Os4",
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"spacegroup": 227
},
{
"id": "jvasp-18781",
"created_at": "2022-09-04T14:37:05.587244Z",
"updated_at": "2022-09-04T14:37:05.587256Z",
"structure_string": "Ta2 Pt6\n1.0\n4.617653 0.000000 0.000000\n0.000000 4.932377 0.000000\n0.000000 0.000000 5.608711\nTa Pt\n2 6\ndirect\n0.500000 0.660626 0.500000 Ta\n0.000000 0.339375 0.000000 Ta\n0.000000 0.833925 0.250171 Pt\n0.500000 0.166075 0.249829 Pt\n0.000000 0.833925 0.749828 Pt\n0.500000 0.166075 0.750171 Pt\n0.000000 0.342786 0.500000 Pt\n0.500000 0.657215 0.000000 Pt\n",
"nsites": 8,
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"elements": [
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"volume": 127.74403231009883,
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"formula_full": "Ta2 Pt6",
"formula_reduced": "TaPt3",
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"spacegroup": 59
},
{
"id": "jvasp-102688",
"created_at": "2022-09-04T14:36:58.975349Z",
"updated_at": "2022-09-04T14:36:58.975383Z",
"structure_string": "Pt1 W1\n1.0\n2.696295 0.004550 4.094684\n1.230460 2.399165 4.094684\n0.007433 0.004550 4.902692\nPt W\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.499998 0.500001 0.500000 W\n",
"nsites": 2,
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"elements": [
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"volume": 31.58717160713987,
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"formula_full": "Pt1 W1",
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"spacegroup": 166
},
{
"id": "jvasp-78451",
"created_at": "2022-09-04T14:37:08.915582Z",
"updated_at": "2022-09-04T14:37:08.915602Z",
"structure_string": "Ir2\n1.0\n2.601856 0.000000 0.000000\n0.000000 2.665039 0.000000\n0.000000 -0.000000 4.615065\nIr\n2\ndirect\n0.000000 0.249981 0.250000 Ir\n0.000000 0.750019 0.749999 Ir\n",
"nsites": 2,
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"elements": [
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"spacegroup": 191
},
{
"id": "jvasp-39468",
"created_at": "2022-09-04T14:37:52.846202Z",
"updated_at": "2022-09-04T14:37:52.846222Z",
"structure_string": "Re3 W1\n1.0\n-1.975037 1.975037 3.955680\n1.975037 -1.975037 3.955680\n1.975037 1.975037 -3.955680\nRe W\n3 1\ndirect\n0.749999 0.250000 0.499999 Re\n0.250000 0.749999 0.499999 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
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{
"id": "jvasp-15079",
"created_at": "2022-09-04T14:35:43.509406Z",
"updated_at": "2022-09-04T14:35:43.509433Z",
"structure_string": "Pu2 Ir4\n1.0\n4.577835 -0.000000 2.643014\n1.525945 4.316025 2.643014\n-0.000000 -0.000000 5.286029\nPu Ir\n2 4\ndirect\n0.874998 0.874999 0.875000 Pu\n0.125000 0.125000 0.125000 Pu\n0.499999 0.499999 0.500000 Ir\n0.499999 0.499999 -0.000000 Ir\n-0.000000 0.499999 0.500000 Ir\n0.499999 0.000000 0.500000 Ir\n",
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"formula_full": "Pu2 Ir4",
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]
}