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{
"id": "jvasp-16469",
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{
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{
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"created_at": "2022-09-04T14:38:50.846629Z",
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"structure_string": "Zr1 Cd1 O1\n1.0\n4.591131 -0.000000 -0.000000\n-2.295566 3.976037 0.000000\n-0.000000 -0.000000 3.106324\nZr Cd O\n1 1 1\ndirect\n0.666666 0.333334 0.000000 Zr\n0.000000 0.000000 0.000000 Cd\n0.333332 0.666668 0.000000 O\n",
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{
"id": "jvasp-120075",
"created_at": "2022-09-04T14:38:37.982264Z",
"updated_at": "2022-09-04T14:38:37.982287Z",
"structure_string": "Zr1 Cd1 O2\n1.0\n3.097274 0.000000 0.000000\n-0.000000 3.097274 0.000000\n-0.000000 0.000000 6.981884\nZr Cd O\n1 1 2\ndirect\n0.499999 0.499999 0.572125 Zr\n0.000000 0.000000 0.071454 Cd\n0.000000 0.000000 0.531547 O\n0.499999 0.499999 0.834873 O\n",
"nsites": 4,
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"elements": [
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"volume": 66.97795490504983,
"volume_molar": 10.083766806378563,
"formula_full": "Zr1 Cd1 O2",
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"spacegroup": 99
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{
"id": "jvasp-36601",
"created_at": "2022-09-04T14:37:19.230237Z",
"updated_at": "2022-09-04T14:37:19.230254Z",
"structure_string": "Zr1 Cd1 O3\n1.0\n4.129486 -0.000000 -0.000000\n0.000000 4.129486 -0.000000\n-0.000000 0.000000 4.129486\nZr Cd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-120076",
"created_at": "2022-09-04T14:38:38.011040Z",
"updated_at": "2022-09-04T14:38:38.011070Z",
"structure_string": "Zr1 Cd1 O4\n1.0\n3.524006 -3.496254 0.000000\n3.524006 3.496254 0.000000\n0.000000 0.000000 3.345909\nZr Cd O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500001 0.500001 0.000000 Cd\n0.182114 0.182114 0.000000 O\n0.297864 0.702138 0.500000 O\n0.702138 0.297864 0.500000 O\n0.817888 0.817888 0.000000 O\n",
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{
"id": "jvasp-41006",
"created_at": "2022-09-04T14:37:36.993762Z",
"updated_at": "2022-09-04T14:37:36.993782Z",
"structure_string": "Zr1 Cd1 Pd2\n1.0\n0.000094 3.297708 3.297708\n3.297708 0.000094 3.297708\n3.297708 3.297708 0.000094\nZr Cd Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Zr\n0.250001 0.250001 0.250001 Cd\n0.999981 0.999981 0.999981 Pd\n0.500019 0.500019 0.500019 Pd\n",
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{
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"created_at": "2022-09-04T14:37:59.255926Z",
"updated_at": "2022-09-04T14:37:59.255958Z",
"structure_string": "Zr1 Cd1 Rh2\n1.0\n-0.000009 3.239815 3.239816\n3.239816 -0.000007 3.239815\n3.239821 3.239820 -0.000013\nZr Cd Rh\n1 1 2\ndirect\n0.750000 0.750002 0.749999 Zr\n0.250000 0.250000 0.250001 Cd\n0.000000 0.000001 0.000000 Rh\n0.500000 0.500001 0.500000 Rh\n",
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{
"id": "jvasp-79658",
"created_at": "2022-09-04T14:37:12.139824Z",
"updated_at": "2022-09-04T14:37:12.139855Z",
"structure_string": "Zr2 Cl2\n1.0\n-1.672578 -2.896957 -0.000021\n-1.672556 2.896944 -0.000005\n-0.000073 -0.000028 -9.212745\nZr Cl\n2 2\ndirect\n0.333327 0.666663 0.363327 Zr\n0.666675 0.333337 0.636671 Zr\n0.333329 0.666664 0.832411 Cl\n0.666673 0.333336 0.167588 Cl\n",
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{
"id": "jvasp-18439",
"created_at": "2022-09-04T14:36:17.194743Z",
"updated_at": "2022-09-04T14:36:17.194777Z",
"structure_string": "Zr2 Cl2\n1.0\n3.438246 -0.000000 -0.000000\n-1.719122 2.906626 -0.646714\n-0.000000 -0.001586 9.119750\nZr Cl\n2 2\ndirect\n0.622090 0.244178 0.866080 Zr\n0.377912 0.755822 0.133920 Zr\n0.890162 0.780320 0.670069 Cl\n0.109840 0.219680 0.329931 Cl\n",
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{
"id": "jvasp-5347",
"created_at": "2022-09-04T14:35:56.605290Z",
"updated_at": "2022-09-04T14:35:56.605312Z",
"structure_string": "Zr2 Cl2\n1.0\n3.440096 -0.000000 -0.000000\n-1.720048 2.907606 -0.647184\n-0.000000 -0.002870 9.120719\nZr Cl\n2 2\ndirect\n0.622114 0.244229 0.866139 Zr\n0.377887 0.755773 0.133862 Zr\n0.890218 0.780434 0.670193 Cl\n0.109784 0.219567 0.329807 Cl\n",
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{
"id": "jvasp-1981",
"created_at": "2022-09-04T14:35:56.881578Z",
"updated_at": "2022-09-04T14:35:56.881603Z",
"structure_string": "Zr1 Cl2\n1.0\n3.288168 -0.007359 5.900925\n1.527420 2.911888 5.900925\n-0.012201 -0.007359 6.755207\nZr Cl\n1 2\ndirect\n0.000068 0.000068 0.000068 Zr\n0.422067 0.422067 0.422066 Cl\n0.244766 0.244766 0.244765 Cl\n",
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