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{
"id": "jvasp-104969",
"created_at": "2022-09-04T14:36:55.159427Z",
"updated_at": "2022-09-04T14:36:55.159440Z",
"structure_string": "Cd4 Te5 Pb1\n1.0\n6.486898 0.022425 -11.066390\n-0.194509 4.620028 -11.965068\n-0.041098 -0.022425 12.827437\nCd Te Pb\n4 5 1\ndirect\n0.394701 0.393645 0.001056 Cd\n0.785136 0.793388 0.991749 Cd\n0.198361 0.206614 0.991749 Cd\n0.607412 0.606355 0.001056 Cd\n0.632748 0.889000 0.743748 Te\n0.038470 0.300773 0.737699 Te\n0.436927 0.699229 0.737699 Te\n0.854748 0.111000 0.743748 Te\n0.303755 0.500001 0.803756 Te\n0.997742 0.000000 0.997742 Pb\n",
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{
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{
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"structure_string": "Cr1 B2 W1\n1.0\n4.386684 0.004982 0.000000\n-3.305337 2.884054 0.000000\n0.000000 0.000000 3.007179\nCr B W\n1 2 1\ndirect\n0.858568 0.141430 -0.000000 Cr\n0.434909 0.565088 0.500000 B\n0.557193 0.442804 -0.000000 B\n0.149324 0.850673 0.500000 W\n",
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{
"id": "jvasp-104926",
"created_at": "2022-09-04T14:36:55.635408Z",
"updated_at": "2022-09-04T14:36:55.635442Z",
"structure_string": "Sr1 C1 O3\n1.0\n4.136810 -0.033326 1.279066\n0.933727 4.030194 1.279066\n-0.042278 -0.033326 4.329829\nSr C O\n1 1 3\ndirect\n0.500000 0.499999 0.500001 Sr\n0.000000 0.000000 0.000000 C\n0.748874 0.251125 0.000001 O\n0.000001 0.748873 0.251127 O\n0.251126 -0.000001 0.748875 O\n",
"nsites": 5,
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"elements": [
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"volume": 72.67855329231763,
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"formula_full": "Sr1 C1 O3",
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"spacegroup": 155
},
{
"id": "jvasp-106409",
"created_at": "2022-09-04T14:36:55.815646Z",
"updated_at": "2022-09-04T14:36:55.815671Z",
"structure_string": "K3 In1 Cl6\n1.0\n6.615184 -0.000000 3.819278\n2.205061 6.236855 3.819278\n-0.000000 -0.000000 7.638556\nK In Cl\n3 1 6\ndirect\n0.749999 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 K\n0.000000 0.000000 0.000000 In\n0.766632 0.233367 0.233368 Cl\n0.233367 0.233367 0.766633 Cl\n0.233367 0.766633 0.766633 Cl\n0.233367 0.766633 0.233368 Cl\n0.766632 0.233367 0.766634 Cl\n0.766632 0.766633 0.233368 Cl\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-104696",
"created_at": "2022-09-04T14:36:55.821086Z",
"updated_at": "2022-09-04T14:36:55.821106Z",
"structure_string": "Sm2 Si3 Pd1\n1.0\n4.073342 -0.003469 -6.606628\n-0.293155 3.850258 -6.732699\n0.001629 0.003469 7.761420\nSm Si Pd\n2 3 1\ndirect\n0.130196 0.130196 0.000000 Sm\n0.370083 0.870083 0.500001 Sm\n0.704071 0.704071 0.000000 Si\n0.540416 0.540416 0.000000 Si\n0.794887 0.294887 0.500000 Si\n0.960349 0.460349 0.500000 Pd\n",
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"formula_full": "Sm2 Si3 Pd1",
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"spacegroup": 44
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{
"id": "jvasp-104608",
"created_at": "2022-09-04T14:36:55.833663Z",
"updated_at": "2022-09-04T14:36:55.833686Z",
"structure_string": "Rb1 Na2 Bi1\n1.0\n4.902669 -0.000000 2.830557\n1.634223 4.622280 2.830557\n-0.000000 -0.000000 5.661114\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Bi\n",
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"formula_full": "Rb1 Na2 Bi1",
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"spacegroup": 225
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{
"id": "jvasp-99559",
"created_at": "2022-09-04T14:36:55.855550Z",
"updated_at": "2022-09-04T14:36:55.855572Z",
"structure_string": "Ba2 Hg2 Pb2\n1.0\n5.170268 0.045947 4.223760\n2.367287 4.596709 4.223760\n-0.025720 -0.015842 8.518529\nBa Hg Pb\n2 2 2\ndirect\n0.457849 0.457849 0.298783 Ba\n0.542152 0.542152 0.701216 Ba\n0.836886 0.836886 0.701546 Hg\n0.163115 0.163115 0.298454 Hg\n0.162090 0.162090 0.909761 Pb\n0.837910 0.837911 0.090239 Pb\n",
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"Hg",
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"volume": 202.2085822439174,
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"formula_full": "Ba2 Hg2 Pb2",
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"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-106856",
"created_at": "2022-09-04T14:36:55.861734Z",
"updated_at": "2022-09-04T14:36:55.861751Z",
"structure_string": "Li1 Ti1 O2\n1.0\n2.790038 0.000999 4.681173\n1.289971 2.473921 4.681175\n0.001648 0.000999 5.449560\nLi Ti O\n1 1 2\ndirect\n0.827935 0.827934 0.827932 Li\n0.001316 0.001316 0.001316 Ti\n0.591658 0.591658 0.591656 O\n0.412427 0.412427 0.412426 O\n",
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"formula_full": "Li1 Ti1 O2",
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},
{
"id": "jvasp-100659",
"created_at": "2022-09-04T14:36:55.159259Z",
"updated_at": "2022-09-04T14:36:55.159279Z",
"structure_string": "Dy4 Pd2 Pt2\n1.0\n4.533778 0.000000 0.000000\n0.000000 5.545805 0.000000\n0.000000 0.000000 6.989329\nDy Pd Pt\n4 2 2\ndirect\n0.000000 0.102298 0.683578 Dy\n0.000000 0.897702 0.183578 Dy\n0.500000 0.389826 0.317297 Dy\n0.500000 0.610175 0.817297 Dy\n0.000000 0.587700 0.543043 Pd\n0.000000 0.412300 0.043043 Pd\n0.500000 0.903336 0.456081 Pt\n0.500000 0.096665 0.956081 Pt\n",
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{
"id": "jvasp-16034",
"created_at": "2022-09-04T14:36:55.162693Z",
"updated_at": "2022-09-04T14:36:55.162712Z",
"structure_string": "Ba1 As2 Pd2\n1.0\n4.397972 0.000000 -0.000000\n0.000000 4.397972 -0.000000\n-0.000000 0.000000 5.801389\nBa As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.736072 As\n0.500000 0.500000 0.263928 As\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "Na4 Hg1 P2\n1.0\n4.817416 0.023272 7.647348\n2.225421 4.272650 7.647348\n0.038153 0.023272 9.038141\nNa Hg P\n4 1 2\ndirect\n0.792910 0.792909 0.792910 Na\n0.598526 0.598525 0.598526 Na\n0.207091 0.207090 0.207091 Na\n0.401475 0.401474 0.401475 Na\n0.000000 0.000000 0.000000 Hg\n0.094191 0.094191 0.094191 P\n0.905809 0.905808 0.905809 P\n",
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