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{
"id": "jvasp-36895",
"created_at": "2022-09-04T14:37:16.080609Z",
"updated_at": "2022-09-04T14:37:16.080629Z",
"structure_string": "Rb1 Ag1 Cl3\n1.0\n5.088529 -0.002154 -0.001077\n0.001792 5.088642 -0.003277\n0.000875 0.002347 5.088713\nRb Ag Cl\n1 1 3\ndirect\n0.999999 0.998036 0.011850 Rb\n0.500005 0.497987 0.512046 Ag\n-0.000003 0.498074 0.511998 Cl\n0.500042 0.497912 0.012046 Cl\n0.499959 0.997994 0.512054 Cl\n",
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{
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"structure_string": "Ba1 Au1 Cl1\n1.0\n4.483995 -0.000000 2.588836\n1.494665 4.227551 2.588836\n-0.000000 -0.000000 5.177671\nBa Au Cl\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Au\n0.250000 0.250000 0.250000 Cl\n",
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{
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"structure_string": "K1 Ba1 Au2\n1.0\n-10.518711 -0.000000 -6.072980\n-7.448699 0.380112 0.755565\n-6.168324 4.001562 -1.462111\nK Ba Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 -0.000000 0.000000 Ba\n0.749422 -0.000000 0.000000 Au\n0.250578 -0.000000 0.000000 Au\n",
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"elements": [
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{
"id": "jvasp-9545",
"created_at": "2022-09-04T14:37:28.760936Z",
"updated_at": "2022-09-04T14:37:28.760962Z",
"structure_string": "Mg2 Fe2 F8\n1.0\n4.975963 0.005466 -0.010760\n-0.005495 4.976141 0.000839\n-2.473300 -2.491656 5.512365\nMg Fe F\n2 2 8\ndirect\n0.215247 0.214256 0.431920 Mg\n0.782440 0.781442 0.566290 Mg\n0.466764 -0.034192 -0.065033 Fe\n0.030909 0.529920 0.063245 Fe\n0.424292 0.475935 0.345495 F\n0.097965 0.145977 0.831689 F\n0.732315 0.682362 0.831725 F\n0.130554 0.572405 0.652714 F\n0.919799 0.866111 0.345484 F\n0.314383 0.898698 0.166498 F\n0.850730 0.264396 0.166515 F\n0.520720 0.076887 0.652710 F\n",
"nsites": 12,
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"volume": 136.37016572754104,
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"formula_full": "Mg2 Fe2 F8",
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"spacegroup": 82
},
{
"id": "jvasp-41783",
"created_at": "2022-09-04T14:37:34.014542Z",
"updated_at": "2022-09-04T14:37:34.014563Z",
"structure_string": "Ca2 Cd1 Sn1\n1.0\n-0.000000 3.810032 3.810032\n3.810032 -0.000000 3.810032\n3.810032 3.810032 0.000000\nCa Cd Sn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.249999 0.249999 0.249999 Cd\n0.749999 0.749999 0.749999 Sn\n",
"nsites": 4,
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"elements": [
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"volume": 110.6154691146087,
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"formula_full": "Ca2 Cd1 Sn1",
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},
{
"id": "jvasp-85172",
"created_at": "2022-09-04T14:37:07.632286Z",
"updated_at": "2022-09-04T14:37:07.632311Z",
"structure_string": "Eu2 Hg2 Pb2\n1.0\n5.136819 -0.000000 0.000000\n-2.568410 4.448602 0.000000\n0.000000 0.000000 7.141321\nEu Hg Pb\n2 2 2\ndirect\n0.000001 0.000002 0.744137 Eu\n-0.000001 -0.000002 0.244137 Eu\n0.666665 0.333330 0.539862 Hg\n0.333335 0.666670 0.039862 Hg\n0.666666 0.333331 0.986001 Pb\n0.333334 0.666669 0.486001 Pb\n",
"nsites": 6,
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"elements": [
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"volume": 163.19106284524028,
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},
{
"id": "jvasp-102410",
"created_at": "2022-09-04T14:37:13.432271Z",
"updated_at": "2022-09-04T14:37:13.432292Z",
"structure_string": "Na2 Li1 Er1 Cl6\n1.0\n6.179428 -0.000000 3.567694\n2.059809 5.826020 3.567694\n-0.000000 -0.000000 7.135389\nNa Li Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Er\n0.744777 0.255224 0.255223 Cl\n0.255224 0.255224 0.744776 Cl\n0.255224 0.744776 0.744776 Cl\n0.255224 0.744776 0.255223 Cl\n0.744777 0.255224 0.744776 Cl\n0.744777 0.744776 0.255223 Cl\n",
"nsites": 10,
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"elements": [
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"Er",
"Cl"
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"density": 2.7983131401332204,
"density_atomic": 0.038928000566415356,
"volume": 256.8845009889199,
"volume_molar": 15.469946240176348,
"formula_full": "Na2 Li1 Er1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-82068",
"created_at": "2022-09-04T14:37:13.771411Z",
"updated_at": "2022-09-04T14:37:13.771451Z",
"structure_string": "Rb2 Na1 Hg1\n1.0\n-15.159398 4.229011 -1.846334\n-10.961847 1.135321 1.989965\n-9.095614 6.413821 -1.242443\nRb Na Hg\n2 1 1\ndirect\n0.749658 0.000263 0.000262 Rb\n0.250341 -0.000262 -0.000262 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.000001 0.000000 Hg\n",
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],
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"density": 3.4214664647655115,
"density_atomic": 0.020891001231370825,
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"formula_full": "Rb2 Na1 Hg1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-80748",
"created_at": "2022-09-04T14:37:05.770041Z",
"updated_at": "2022-09-04T14:37:05.770064Z",
"structure_string": "Na1 Y1 Hg2\n1.0\n-10.454710 0.000000 -6.036030\n-6.968750 0.468984 -0.001829\n-6.028901 3.127280 -1.629696\nNa Y Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 -0.000000 Y\n0.750485 0.000000 -0.000000 Hg\n0.249515 -0.000000 -0.000000 Hg\n",
"nsites": 4,
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"volume": 122.40873336763367,
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"formula_full": "Na1 Y1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-79398",
"created_at": "2022-09-04T14:37:13.644186Z",
"updated_at": "2022-09-04T14:37:13.644213Z",
"structure_string": "Tm2 Zn1 Hg1\n1.0\n-0.000126 3.582891 3.582891\n3.582891 -0.000126 3.582891\n3.582891 3.582891 -0.000126\nTm Zn Hg\n2 1 1\ndirect\n0.000004 0.000004 0.000004 Tm\n0.499994 0.499994 0.499994 Tm\n0.749998 0.749998 0.749998 Zn\n0.250004 0.250004 0.250004 Hg\n",
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},
{
"id": "jvasp-40998",
"created_at": "2022-09-04T14:37:34.017969Z",
"updated_at": "2022-09-04T14:37:34.017994Z",
"structure_string": "Li1 Mg1 Tl2\n1.0\n0.000000 3.589020 3.589020\n3.589020 -0.000000 3.589020\n3.589020 3.589020 -0.000000\nLi Mg Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n",
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{
"id": "jvasp-18019",
"created_at": "2022-09-04T14:37:28.302677Z",
"updated_at": "2022-09-04T14:37:28.302702Z",
"structure_string": "Li3 Yb3 Pb3\n1.0\n2.444107 -4.233316 -0.000000\n2.444107 4.233316 0.000000\n-0.000000 -0.000000 10.751365\nYb Li Pb\n3 3 3\ndirect\n0.000000 0.000000 0.666659 Yb\n0.000000 0.000000 0.333340 Yb\n0.000000 0.000000 0.000000 Yb\n0.333334 0.666668 0.194422 Li\n0.666668 0.333334 0.500000 Li\n0.333334 0.666668 0.805578 Li\n0.666668 0.333334 0.843067 Pb\n0.666668 0.333334 0.156933 Pb\n0.333334 0.666668 0.500000 Pb\n",
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