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{
"id": "jvasp-71188",
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"updated_at": "2022-09-04T14:36:06.118111Z",
"structure_string": "Be1 Ge1 Ir2\n1.0\n3.033579 0.000000 0.000000\n0.000000 3.033579 0.000000\n-0.000000 0.000000 5.834690\nBe Ge Ir\n1 1 2\ndirect\n0.000000 0.000000 0.467511 Be\n0.500000 0.500000 0.743031 Ge\n0.000000 0.000000 0.967791 Ir\n0.500000 0.500000 0.321668 Ir\n",
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{
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"structure_string": "Pb1 Se1\n1.0\n3.772611 -0.000000 0.000000\n-0.000000 3.772611 -0.000000\n0.000000 -0.000000 3.772611\nPb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Se\n",
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{
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"updated_at": "2022-09-04T14:36:17.228702Z",
"structure_string": "Be4 Si1 Ni1\n1.0\n3.667144 -0.000000 2.117226\n1.222381 3.457417 2.117226\n-0.000000 -0.000000 4.234453\nBe Si Ni\n4 1 1\ndirect\n0.624427 0.624429 0.126715 Be\n0.624428 0.126714 0.624429 Be\n0.126713 0.624429 0.624429 Be\n0.624427 0.624429 0.624429 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ni\n",
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"elements": [
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"volume": 53.68797751108242,
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"formula_full": "Be4 Si1 Ni1",
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{
"id": "jvasp-40234",
"created_at": "2022-09-04T14:37:48.848248Z",
"updated_at": "2022-09-04T14:37:48.848267Z",
"structure_string": "Ta1 Mn2 Al1\n1.0\n0.000000 2.994185 2.994185\n2.994185 0.000000 2.994185\n2.994185 2.994185 -0.000000\nTa Mn Al\n1 2 1\ndirect\n0.750002 0.750002 0.750002 Ta\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
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"elements": [
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"volume": 53.68659826279056,
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"formula_full": "Ta1 Mn2 Al1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-68164",
"created_at": "2022-09-04T14:36:06.916182Z",
"updated_at": "2022-09-04T14:36:06.916215Z",
"structure_string": "Be1 Tc2 Pd1\n1.0\n-1.885183 1.885183 3.776571\n1.885183 -1.885183 3.776571\n1.885183 1.885183 -3.776571\nBe Tc Pd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tc\n0.250000 0.749999 0.499999 Tc\n0.749999 0.250000 0.499999 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.632697258910001,
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"formula_full": "Be1 Tc2 Pd1",
"formula_reduced": "BeTc2Pd",
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{
"id": "jvasp-81882",
"created_at": "2022-09-04T14:37:04.014249Z",
"updated_at": "2022-09-04T14:37:04.014277Z",
"structure_string": "Be1 Ga1 Pd2\n1.0\n-9.996206 1.838238 -0.649697\n-7.609581 0.178702 1.750830\n-5.913401 3.565806 -0.543992\nBe Ga Pd\n1 1 2\ndirect\n-0.000049 0.000026 0.000049 Be\n0.500012 -0.000007 -0.000011 Ga\n0.719324 0.062565 -0.000925 Pd\n0.280717 0.937414 0.000885 Pd\n",
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"formula_reduced": "BeGaPd2",
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"spacegroup": 71
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{
"id": "jvasp-78703",
"created_at": "2022-09-04T14:36:34.529599Z",
"updated_at": "2022-09-04T14:36:34.529610Z",
"structure_string": "Hf1 Ni1 Sn1\n1.0\n3.765715 0.027501 2.262189\n0.643448 4.396428 3.141131\n0.052824 1.409017 4.160466\nHf Ni Sn\n1 1 1\ndirect\n0.250007 0.250008 0.249980 Hf\n0.583332 0.750027 0.083311 Ni\n0.916662 0.749965 0.416707 Sn\n",
"nsites": 3,
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"formula_full": "Hf1 Ni1 Sn1",
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},
{
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"created_at": "2022-09-04T14:37:40.993618Z",
"updated_at": "2022-09-04T14:37:40.993646Z",
"structure_string": "Hf1 Zn1 Co2\n1.0\n0.000007 2.993802 2.993800\n2.993801 0.000006 2.993801\n2.993801 2.993802 0.000007\nHf Zn Co\n1 1 2\ndirect\n0.250000 0.250000 0.249999 Hf\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Co\n0.499999 0.499999 0.499999 Co\n",
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"spacegroup": 225
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{
"id": "jvasp-115094",
"created_at": "2022-09-04T14:38:44.075818Z",
"updated_at": "2022-09-04T14:38:44.075830Z",
"structure_string": "Al1 Ga1 O3\n1.0\n3.771947 0.000000 -0.000000\n0.000000 3.771947 -0.000000\n0.000000 -0.000000 3.771947\nAl Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
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],
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"volume": 53.66569343033049,
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"formula_full": "Al1 Ga1 O3",
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},
{
"id": "jvasp-67832",
"created_at": "2022-09-04T14:36:10.833462Z",
"updated_at": "2022-09-04T14:36:10.833487Z",
"structure_string": "Be1 Ga1 Re2\n1.0\n2.989343 0.000000 -0.000000\n0.000000 2.989343 0.000000\n0.000000 0.000000 6.005018\nBe Ga Re\n1 1 2\ndirect\n0.000000 0.000000 0.484403 Be\n0.500000 0.500000 0.724170 Ga\n0.000000 0.000000 0.014877 Re\n0.500000 0.500000 0.276550 Re\n",
"nsites": 4,
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],
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},
{
"id": "jvasp-36259",
"created_at": "2022-09-04T14:37:15.584993Z",
"updated_at": "2022-09-04T14:37:15.585027Z",
"structure_string": "Mn2 Sb1\n1.0\n2.993633 2.993633 0.000000\n2.993633 -0.000000 -2.993633\n0.000000 2.993633 -2.993633\nMn Sb\n2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 Mn\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-71826",
"created_at": "2022-09-04T14:36:04.694057Z",
"updated_at": "2022-09-04T14:36:04.694077Z",
"structure_string": "Be1 Tc1 Ir2\n1.0\n-1.847374 1.847374 3.930106\n1.847374 -1.847374 3.930106\n1.847374 1.847374 -3.930106\nBe Tc Ir\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500001 0.500001 0.000000 Tc\n0.000000 0.000000 0.000000 Ir\n0.250000 0.749999 0.499999 Ir\n",
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