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{
"id": "jvasp-61494",
"created_at": "2022-09-04T14:35:54.674306Z",
"updated_at": "2022-09-04T14:35:54.674331Z",
"structure_string": "Tb1 B2 Ir3\n1.0\n4.734297 2.733240 -0.026184\n-4.734297 2.733240 -0.026184\n0.000000 0.030448 3.173029\nTb B Ir\n1 2 3\ndirect\n0.500000 0.500000 0.500002 Tb\n0.166675 0.833325 0.500002 B\n0.833325 0.166675 0.500002 B\n0.000000 0.000000 0.000000 Ir\n0.500000 -0.000000 0.000001 Ir\n-0.000000 0.500000 0.000001 Ir\n",
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{
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"updated_at": "2022-09-04T14:37:29.414213Z",
"structure_string": "Pt1 C1\n1.0\n2.239269 2.239269 -0.000000\n2.239269 0.000000 -2.239269\n-0.000000 2.239269 -2.239269\nPt C\n1 1\ndirect\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-93881",
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"structure_string": "Sm1 In1 Pt4\n1.0\n-3.841327 -3.841327 0.000000\n-3.841327 -0.000000 -3.841327\n-0.000000 -3.841327 -3.841327\nSm In Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750001 0.750001 0.750001 In\n0.873720 0.375427 0.375427 Pt\n0.375427 0.873720 0.375427 Pt\n0.375427 0.375427 0.873720 Pt\n0.375427 0.375427 0.375427 Pt\n",
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"elements": [
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"volume": 113.36365304367767,
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"formula_full": "Sm1 In1 Pt4",
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"spacegroup": 216
},
{
"id": "jvasp-79073",
"created_at": "2022-09-04T14:36:36.408812Z",
"updated_at": "2022-09-04T14:36:36.408831Z",
"structure_string": "Zn1 Ga1 Ir2\n1.0\n0.000000 3.042553 3.042553\n3.042553 0.000000 3.042553\n3.042553 3.042553 -0.000000\nZn Ga Ir\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Zn\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Zn",
"density": 15.316000386882527,
"density_atomic": 0.07100935029766807,
"volume": 56.33060974691609,
"volume_molar": 8.480771524813916,
"formula_full": "Zn1 Ga1 Ir2",
"formula_reduced": "ZnGaIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7236537312499998,
"spacegroup": 225
},
{
"id": "jvasp-15923",
"created_at": "2022-09-04T14:37:56.052335Z",
"updated_at": "2022-09-04T14:37:56.052361Z",
"structure_string": "Ta2 N1\n1.0\n1.549296 -2.683460 0.000000\n1.549296 2.683460 0.000000\n-0.000000 0.000000 4.900594\nTa N\n2 1\ndirect\n0.666668 0.333334 0.257359 Ta\n0.333334 0.666668 0.742640 Ta\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
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"elements": [
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"density": 15.318492210185276,
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"volume": 40.74818275169486,
"volume_molar": 8.179709741497021,
"formula_full": "Ta2 N1",
"formula_reduced": "Ta2N",
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"spacegroup": 164
},
{
"id": "jvasp-19774",
"created_at": "2022-09-04T14:37:46.493140Z",
"updated_at": "2022-09-04T14:37:46.493151Z",
"structure_string": "Nb1 Au2\n1.0\n2.345082 -4.061801 0.000000\n2.345082 4.061801 0.000000\n0.000000 0.000000 2.769837\nNb Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333333 0.500001 Au\n0.333333 0.666667 0.500001 Au\n",
"nsites": 3,
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"volume": 52.76681529266775,
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"spacegroup": 191
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{
"id": "jvasp-38532",
"created_at": "2022-09-04T14:37:48.068672Z",
"updated_at": "2022-09-04T14:37:48.068694Z",
"structure_string": "Hf2 Os1 Pd1\n1.0\n0.000000 3.284146 3.284146\n3.284146 0.000000 3.284146\n3.284146 3.284146 0.000000\nHf Os Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500001 0.500001 0.500001 Hf\n0.250000 0.250000 0.250000 Os\n0.750001 0.750001 0.750001 Pd\n",
"nsites": 4,
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"elements": [
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"Os",
"Pd"
],
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"density": 15.320880007308435,
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"volume": 70.84306838667268,
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"formula_full": "Hf2 Os1 Pd1",
"formula_reduced": "Hf2OsPd",
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},
{
"id": "jvasp-75650",
"created_at": "2022-09-04T14:36:14.188506Z",
"updated_at": "2022-09-04T14:36:14.188527Z",
"structure_string": "As1 Ir2 Rh1\n1.0\n0.000000 3.123354 3.123354\n3.123354 0.000000 3.123354\n3.123354 3.123354 -0.000000\nAs Ir Rh\n1 2 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n0.749999 0.749999 0.749999 Rh\n",
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"elements": [
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"Ir",
"Rh"
],
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"volume": 60.938761728255926,
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"formula_full": "As1 Ir2 Rh1",
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"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-102990",
"created_at": "2022-09-04T14:36:41.535512Z",
"updated_at": "2022-09-04T14:36:41.535521Z",
"structure_string": "Ti1 Au3\n1.0\n3.803685 -0.065607 -3.004859\n-0.932233 3.688260 -3.004859\n0.052002 0.065606 4.847112\nTi Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.250000 0.500000 Au\n0.250001 0.750000 0.500000 Au\n0.500001 0.500000 0.000000 Au\n",
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"elements": [
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"volume": 69.2237772616542,
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"formula_full": "Ti1 Au3",
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"spacegroup": 139
},
{
"id": "jvasp-38367",
"created_at": "2022-09-04T14:37:53.332230Z",
"updated_at": "2022-09-04T14:37:53.332256Z",
"structure_string": "Pu3 Sc1\n1.0\n0.000000 3.478651 3.478651\n3.478651 0.000000 3.478651\n3.478651 3.478651 0.000000\nPu Sc\n3 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Pu\n0.250000 0.250000 0.250000 Pu\n0.750000 0.750000 0.750000 Sc\n",
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"elements": [
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"density": 15.32437948439738,
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"volume": 84.19040041493507,
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"formula_full": "Pu3 Sc1",
"formula_reduced": "Pu3Sc",
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"spacegroup": 225
},
{
"id": "jvasp-17179",
"created_at": "2022-09-04T14:37:39.815536Z",
"updated_at": "2022-09-04T14:37:39.815566Z",
"structure_string": "W1 C1\n1.0\n2.691146 0.000000 1.553734\n0.897049 2.537237 1.553734\n-0.000000 0.000000 3.107469\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.500001 0.500001 0.499998 C\n",
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"elements": [
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"formula_full": "W1 C1",
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"spacegroup": 225
},
{
"id": "jvasp-20492",
"created_at": "2022-09-04T14:37:45.480069Z",
"updated_at": "2022-09-04T14:37:45.480087Z",
"structure_string": "W1 C1\n1.0\n1.465007 -2.537467 -0.000000\n1.465007 2.537467 0.000000\n0.000000 0.000000 2.853865\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.666668 0.333334 0.500001 C\n",
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