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{
"id": "jvasp-16606",
"created_at": "2022-09-04T14:37:45.866132Z",
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{
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{
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"structure_string": "Ti1 Pd2\n1.0\n0.000000 -3.078417 0.000000\n-3.476047 0.000000 0.000000\n1.738024 1.539208 -4.326184\nTi Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.341897 0.341898 0.683794 Pd\n0.658103 0.658104 0.316205 Pd\n",
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"spacegroup": 71
},
{
"id": "jvasp-107515",
"created_at": "2022-09-04T14:36:51.570677Z",
"updated_at": "2022-09-04T14:36:51.570707Z",
"structure_string": "Ti4 Pd1\n1.0\n2.873045 -0.193579 -8.314472\n-0.264233 2.867410 -8.314472\n0.188871 0.193579 8.794837\nTi Pd\n4 1\ndirect\n0.403401 0.403402 -0.000000 Ti\n0.803209 0.803209 -0.000000 Ti\n0.196791 0.196791 -0.000000 Ti\n0.596598 0.596598 -0.000000 Ti\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 81.86008692466407,
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"formula_full": "Ti4 Pd1",
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"formula_anonymous": "AB4",
"energy_above_hull": 3.567835806666667,
"spacegroup": 139
},
{
"id": "jvasp-91577",
"created_at": "2022-09-04T14:36:12.686088Z",
"updated_at": "2022-09-04T14:36:12.686104Z",
"structure_string": "Ti6 Pd2\n1.0\n5.043715 0.000000 -0.000000\n-0.000000 5.043715 -0.000000\n0.000000 -0.000000 5.043715\nTi Pd\n6 2\ndirect\n0.000000 0.500000 0.749999 Ti\n0.500000 0.250000 0.000000 Ti\n0.749999 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.500000 0.749999 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 8,
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"elements": [
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"density": 6.471485253860233,
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"formula_full": "Ti6 Pd2",
"formula_reduced": "Ti3Pd",
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"energy_above_hull": 3.194257675,
"spacegroup": 223
},
{
"id": "jvasp-56447",
"created_at": "2022-09-04T14:37:29.884421Z",
"updated_at": "2022-09-04T14:37:29.884448Z",
"structure_string": "Ti3 Pd5\n1.0\n3.297988 -0.000000 -0.000000\n0.000000 3.297988 0.000000\n0.000000 0.000000 11.476995\nTi Pd\n3 5\ndirect\n0.500000 0.500000 0.136685 Ti\n0.500000 0.500000 0.863316 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.241950 Pd\n0.500000 0.500000 0.619433 Pd\n0.500000 0.500000 0.380567 Pd\n0.000000 0.000000 0.758051 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 8,
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"formula_full": "Ti3 Pd5",
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"formula_anonymous": "A3B5",
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"spacegroup": 123
},
{
"id": "jvasp-100511",
"created_at": "2022-09-04T14:37:01.585078Z",
"updated_at": "2022-09-04T14:37:01.585098Z",
"structure_string": "Ti1 Zn2 Pd1\n1.0\n3.783806 -0.000000 2.184582\n1.261269 3.567407 2.184582\n0.000000 -0.000000 4.369163\nTi Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.249999 Zn\n0.750001 0.750001 0.749998 Zn\n0.500000 0.500000 0.499999 Pd\n",
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"elements": [
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"Zn",
"Pd"
],
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"formula_full": "Ti1 Zn2 Pd1",
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"spacegroup": 225
},
{
"id": "jvasp-41286",
"created_at": "2022-09-04T14:37:49.618887Z",
"updated_at": "2022-09-04T14:37:49.618916Z",
"structure_string": "Ti1 Zn1 Pd2\n1.0\n0.000000 3.112410 3.112410\n3.112410 0.000000 3.112410\n3.112410 3.112410 0.000000\nTi Zn Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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"formula_full": "Ti1 Zn1 Pd2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-54851",
"created_at": "2022-09-04T14:37:49.006781Z",
"updated_at": "2022-09-04T14:37:49.006814Z",
"structure_string": "Tl1 Pd3\n1.0\n3.955105 0.000000 -1.440552\n-0.524687 3.920149 -1.440552\n-0.495919 -0.566716 4.788173\nTl Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000001 Pd\n0.250000 0.750000 0.500000 Pd\n0.750001 0.250000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"spacegroup": 139
},
{
"id": "jvasp-90556",
"created_at": "2022-09-04T14:36:13.646114Z",
"updated_at": "2022-09-04T14:36:13.646140Z",
"structure_string": "Tl2 Pd6\n1.0\n4.174769 -0.000000 0.000000\n-0.000000 4.174769 0.000000\n-2.087385 -2.087385 7.781401\nTl Pd\n2 6\ndirect\n0.874593 0.874593 0.749185 Tl\n0.125408 0.125408 0.250815 Tl\n0.500000 -0.000000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.250001 0.750001 0.500000 Pd\n0.750001 0.250001 0.500000 Pd\n0.625499 0.625499 0.250998 Pd\n0.374502 0.374502 0.749002 Pd\n",
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},
{
"id": "jvasp-54808",
"created_at": "2022-09-04T14:37:45.122426Z",
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"structure_string": "Tl4 Pd2\n1.0\n5.472710 -0.013907 -1.516771\n-3.168604 4.462140 -1.516767\n0.007201 0.013907 5.679006\nTl Pd\n4 2\ndirect\n0.335465 0.835465 0.170930 Tl\n0.164535 0.335465 0.500000 Tl\n0.835465 0.664535 0.500000 Tl\n0.664535 0.164535 0.829071 Tl\n0.250000 0.250000 -0.000000 Pd\n0.750000 0.750000 -0.000000 Pd\n",
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{
"id": "jvasp-56312",
"created_at": "2022-09-04T14:36:46.722579Z",
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"structure_string": "Tl1 Pd3\n1.0\n4.081795 0.000000 0.000000\n0.000000 4.081795 -0.000000\n-0.000000 -0.000000 4.080490\nTl Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.000000 0.500000 Pd\n0.000000 0.500001 0.500000 Pd\n0.500001 0.500001 0.000000 Pd\n",
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}