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"id": "jvasp-17236",
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"structure_string": "Be2 Pd6\n1.0\n2.874156 0.000000 0.000000\n-1.437079 4.851397 0.000000\n-0.000000 -0.000000 7.664593\nBe Pd\n2 6\ndirect\n0.747074 0.494147 0.750000 Be\n0.252927 0.505854 0.250000 Be\n0.432948 0.865895 0.750000 Pd\n0.567053 0.134106 0.250000 Pd\n0.136155 0.272310 0.938770 Pd\n0.863846 0.727691 0.061230 Pd\n0.863846 0.727691 0.438770 Pd\n0.136155 0.272310 0.561229 Pd\n",
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{
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"structure_string": "Fe1 Ni1 Pt2\n1.0\n3.867189 0.000000 0.000000\n0.000000 3.867189 -0.000000\n-0.000000 -0.000000 3.676875\nFe Ni Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500001 Pt\n0.000000 0.500000 0.500001 Pt\n",
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{
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"structure_string": "Sm1 Si2 Au2\n1.0\n4.047339 0.000000 -1.563704\n-0.604143 4.001995 -1.563704\n-0.032120 -0.037333 5.936587\nSm Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.614545 0.614546 0.229092 Si\n0.385456 0.385456 0.770911 Si\n0.250001 0.750001 0.500001 Au\n0.750001 0.250001 0.500001 Au\n",
"nsites": 5,
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"elements": [
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"formula_full": "Sm1 Si2 Au2",
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},
{
"id": "jvasp-17239",
"created_at": "2022-09-04T14:37:48.730450Z",
"updated_at": "2022-09-04T14:37:48.730477Z",
"structure_string": "Ce1 Ge2 Pd2\n1.0\n3.998372 -0.000000 -1.593415\n-0.635001 3.947626 -1.593415\n0.057528 0.067521 5.957639\nCe Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.619906 0.619906 0.239810 Ge\n0.380095 0.380095 0.760189 Ge\n0.750000 0.250000 0.499999 Pd\n0.250001 0.750001 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"density": 8.718371940393135,
"density_atomic": 0.05268915036370896,
"volume": 94.89619713898217,
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"formula_full": "Ce1 Ge2 Pd2",
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"spacegroup": 139
},
{
"id": "jvasp-17240",
"created_at": "2022-09-04T14:38:01.876131Z",
"updated_at": "2022-09-04T14:38:01.876157Z",
"structure_string": "Sm1 Mn2 Si2\n1.0\n3.718918 0.000000 -1.314493\n-0.464622 3.689780 -1.314493\n-0.002139 -0.002426 5.911911\nSm Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.249999 0.500000 Mn\n0.250000 0.749999 0.500000 Mn\n0.623378 0.623378 0.246757 Si\n0.376622 0.376621 0.753244 Si\n",
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},
{
"id": "jvasp-17243",
"created_at": "2022-09-04T14:37:58.135011Z",
"updated_at": "2022-09-04T14:37:58.135038Z",
"structure_string": "Cu3 N1\n1.0\n3.502940 -0.000000 -0.000000\n0.000000 3.502940 -0.000000\n-0.000000 -0.000000 3.502940\nCu N\n3 1\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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{
"id": "jvasp-17245",
"created_at": "2022-09-04T14:37:45.266056Z",
"updated_at": "2022-09-04T14:37:45.266089Z",
"structure_string": "Zr1 Pd1\n1.0\n3.347844 -0.000000 -0.000000\n-0.000000 3.347844 -0.000000\n-0.000000 -0.000000 3.347844\nZr Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.499999 0.499999 Pd\n",
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{
"id": "jvasp-17252",
"created_at": "2022-09-04T14:35:58.928791Z",
"updated_at": "2022-09-04T14:35:58.928813Z",
"structure_string": "Cr1 O2\n1.0\n2.688089 -0.054753 3.914892\n1.174348 2.418621 3.914892\n-0.089463 -0.054753 4.748073\nCr O\n1 2\ndirect\n0.500003 0.500000 0.499998 Cr\n0.762509 0.762507 0.762503 O\n0.237495 0.237492 0.237492 O\n",
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"volume": 32.365486832530614,
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},
{
"id": "jvasp-17253",
"created_at": "2022-09-04T14:36:03.837365Z",
"updated_at": "2022-09-04T14:36:03.837390Z",
"structure_string": "Fe1 O2\n1.0\n2.644387 -0.034420 3.954906\n1.174875 2.369311 3.954906\n-0.056303 -0.034420 4.757194\nFe O\n1 2\ndirect\n0.500003 0.500000 0.499997 Fe\n0.761547 0.761544 0.761539 O\n0.238459 0.238457 0.238456 O\n",
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"elements": [
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"density": 4.746259052435669,
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},
{
"id": "jvasp-17254",
"created_at": "2022-09-04T14:35:47.549073Z",
"updated_at": "2022-09-04T14:35:47.549093Z",
"structure_string": "Cu2 Sn1 Se4\n1.0\n5.038006 0.000000 -2.259195\n-1.013091 4.935094 -2.259195\n-0.000542 -0.000665 6.745767\nCu Sn Se\n2 1 4\ndirect\n0.250000 0.749999 0.500000 Cu\n0.750001 0.249999 0.500001 Cu\n0.500000 0.500000 0.000000 Sn\n0.657174 0.657172 0.749302 Se\n0.342827 0.907870 0.250698 Se\n0.907871 0.342826 0.250699 Se\n0.092129 0.092128 0.749302 Se\n",
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{
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"created_at": "2022-09-04T14:35:59.285414Z",
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"structure_string": "Cu2 Ge1 Se4\n1.0\n4.959975 -0.000000 -2.246175\n-1.017202 4.854549 -2.246175\n0.003177 0.003912 6.606380\nCu Ge Se\n2 1 4\ndirect\n0.750001 0.250000 0.500001 Cu\n0.250001 0.750000 0.500001 Cu\n0.500001 0.500000 0.000001 Ge\n0.351180 0.351180 0.237773 Se\n0.113409 0.648820 0.762229 Se\n0.648821 0.113408 0.762229 Se\n0.886594 0.886592 0.237774 Se\n",
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{
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"created_at": "2022-09-04T14:36:02.584116Z",
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"structure_string": "Cu2 Ge1 S4\n1.0\n4.706784 0.000000 -2.132617\n-0.966277 4.606530 -2.132617\n0.021212 0.026122 6.307165\nCu Ge S\n2 1 4\ndirect\n0.749999 0.250000 0.500000 Cu\n0.249999 0.750000 0.500000 Cu\n0.499999 0.500000 -0.000001 Ge\n0.879717 0.879718 0.238690 S\n0.641027 0.120281 0.761309 S\n0.358972 0.358972 0.238691 S\n0.120281 0.641028 0.761309 S\n",
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