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{
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{
"id": "jvasp-54307",
"created_at": "2022-09-04T14:37:05.723883Z",
"updated_at": "2022-09-04T14:37:05.723904Z",
"structure_string": "Fe4 H4 O8\n1.0\n2.863475 -0.000000 0.000000\n-0.000000 4.356828 0.000000\n0.000000 0.000000 9.571984\nFe H O\n4 4 8\ndirect\n0.750001 0.536946 0.641377 Fe\n0.250000 0.463054 0.358623 Fe\n0.750001 0.963054 0.141377 Fe\n0.250000 0.036946 0.858623 Fe\n0.750001 0.573636 0.908147 H\n0.250000 0.073636 0.591853 H\n0.250000 0.426364 0.091853 H\n0.750001 0.926364 0.408147 H\n0.750001 0.791875 0.945778 O\n0.250000 0.710002 0.199223 O\n0.750001 0.210002 0.300777 O\n0.250000 0.789999 0.699223 O\n0.250000 0.208126 0.054222 O\n0.750001 0.708126 0.445778 O\n0.250000 0.291875 0.554222 O\n0.750001 0.289999 0.800776 O\n",
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{
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"updated_at": "2022-09-04T14:37:05.675225Z",
"structure_string": "Fe4 S4\n1.0\n3.328088 -0.000000 0.000000\n-0.000000 5.204378 0.000000\n0.000000 0.000000 5.596583\nFe S\n4 4\ndirect\n0.750000 0.984589 0.206734 Fe\n0.250000 0.015412 0.793266 Fe\n0.750000 0.484589 0.293266 Fe\n0.250000 0.515412 0.706733 Fe\n0.750000 0.781558 0.582269 S\n0.250000 0.218442 0.417731 S\n0.750000 0.281558 0.917731 S\n0.250000 0.718442 0.082269 S\n",
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{
"id": "jvasp-30207",
"created_at": "2022-09-04T14:37:06.109521Z",
"updated_at": "2022-09-04T14:37:06.109546Z",
"structure_string": "Sb4 O4 F4\n1.0\n12.641592 0.000000 0.000000\n0.000000 3.568860 0.000000\n0.000000 -0.000000 3.985754\nSb O F\n4 4 4\ndirect\n0.150726 0.250000 0.202145 Sb\n0.349274 0.750000 0.702145 Sb\n0.650726 0.250000 0.297854 Sb\n0.849274 0.750000 0.797854 Sb\n0.251608 0.750000 0.291812 O\n0.248392 0.250000 0.791811 O\n0.751608 0.750000 0.208188 O\n0.748392 0.250000 0.708187 O\n0.085744 0.750000 0.881246 F\n0.414256 0.250000 0.381246 F\n0.585743 0.750000 0.618752 F\n0.914256 0.250000 0.118753 F\n",
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{
"id": "jvasp-47885",
"created_at": "2022-09-04T14:37:06.193566Z",
"updated_at": "2022-09-04T14:37:06.193580Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.598137 0.000000 0.000000\n0.000000 5.885690 0.000000\n0.000000 0.000000 9.990649\nLi Co Si O\n4 4 4 16\ndirect\n0.019371 0.006527 0.220829 Li\n0.480629 0.006527 0.720829 Li\n0.519371 0.506527 0.279171 Li\n0.980630 0.506527 0.779171 Li\n-0.000002 0.256525 0.500002 Co\n0.500002 0.256525 0.000001 Co\n0.499998 0.756524 -0.000001 Co\n0.000002 0.756524 0.499999 Co\n0.922799 0.006529 0.912504 Si\n0.577202 0.006529 0.412504 Si\n0.422799 0.506529 0.587497 Si\n0.077202 0.506529 0.087497 Si\n0.778321 0.238887 0.852280 O\n0.782653 0.506531 0.581356 O\n0.717348 0.506531 0.081356 O\n0.721680 0.238887 0.352280 O\n0.721680 0.774172 0.352279 O\n0.760515 0.006531 0.561995 O\n0.239486 0.506531 0.438005 O\n0.221679 0.274172 0.147721 O\n0.278321 0.738887 0.647720 O\n0.282652 0.006531 0.918644 O\n0.217348 0.006531 0.418644 O\n0.221679 0.738887 0.147720 O\n0.778321 0.774172 0.852279 O\n0.260515 0.506531 0.938005 O\n0.278321 0.274172 0.647721 O\n0.739486 0.006531 0.061995 O\n",
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"formula_full": "Li4 Co4 Si4 O16",
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{
"id": "jvasp-51395",
"created_at": "2022-09-04T14:37:06.206295Z",
"updated_at": "2022-09-04T14:37:06.206315Z",
"structure_string": "Ga4 H4 O8\n1.0\n3.005526 -0.000000 0.000000\n-0.000000 4.534518 0.000000\n0.000000 0.000000 9.897281\nGa H O\n4 4 8\ndirect\n0.250000 0.444549 0.356874 Ga\n0.250000 0.055451 0.856874 Ga\n0.750001 0.555452 0.643126 Ga\n0.750001 0.944549 0.143126 Ga\n0.250000 0.093110 0.592814 H\n0.250000 0.406890 0.092814 H\n0.750001 0.906890 0.407186 H\n0.750001 0.593110 0.907186 H\n0.250000 0.809530 0.692744 O\n0.250000 0.690471 0.192744 O\n0.750001 0.190471 0.307256 O\n0.750001 0.309529 0.807256 O\n0.250000 0.303993 0.557098 O\n0.250000 0.196007 0.057098 O\n0.750001 0.696007 0.442902 O\n0.750001 0.803993 0.942902 O\n",
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{
"id": "jvasp-45325",
"created_at": "2022-09-04T14:37:06.340951Z",
"updated_at": "2022-09-04T14:37:06.340980Z",
"structure_string": "In4 B4 F16\n1.0\n5.679598 -0.000000 0.000000\n0.000000 7.271174 0.000000\n0.000000 0.000000 9.001511\nIn B F\n4 4 16\ndirect\n0.250000 0.332172 0.681391 In\n0.750000 0.667827 0.318609 In\n0.750000 0.832172 0.818609 In\n0.250000 0.167827 0.181391 In\n0.250000 0.686492 0.068344 B\n0.250000 0.813507 0.568344 B\n0.750000 0.186493 0.431656 B\n0.750000 0.313507 0.931656 B\n0.546550 0.198917 0.922178 F\n0.046550 0.801083 0.077822 F\n0.250000 0.908861 0.432776 F\n0.750000 0.091139 0.567224 F\n0.750000 0.408861 0.067224 F\n0.250000 0.591139 0.932776 F\n0.250000 0.936815 0.690218 F\n0.046550 0.698916 0.577822 F\n0.750000 0.436815 0.809782 F\n0.250000 0.563184 0.190218 F\n0.953451 0.301083 0.422178 F\n0.453451 0.801083 0.077822 F\n0.953451 0.198917 0.922178 F\n0.546550 0.301083 0.422178 F\n0.750000 0.063184 0.309782 F\n0.453451 0.698916 0.577822 F\n",
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{
"id": "jvasp-10187",
"created_at": "2022-09-04T14:37:06.532611Z",
"updated_at": "2022-09-04T14:37:06.532631Z",
"structure_string": "Ba4 Cd4 O8\n1.0\n3.697014 0.000000 0.000000\n-0.000000 6.222203 0.000000\n0.000000 0.000000 12.109988\nBa Cd O\n4 4 8\ndirect\n0.250000 0.394806 0.642532 Ba\n0.749999 0.605194 0.357468 Ba\n0.250000 0.894806 0.857468 Ba\n0.749999 0.105194 0.142532 Ba\n0.749999 0.904388 0.606783 Cd\n0.749999 0.404389 0.893218 Cd\n0.250000 0.095611 0.393218 Cd\n0.250000 0.595611 0.106783 Cd\n0.250000 0.276855 0.982214 O\n0.749999 0.723144 0.017787 O\n0.250000 0.776855 0.517787 O\n0.749999 0.223144 0.482213 O\n0.250000 0.858918 0.251753 O\n0.749999 0.641082 0.751753 O\n0.250000 0.358918 0.248247 O\n0.749999 0.141082 0.748247 O\n",
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{
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"created_at": "2022-09-04T14:37:06.594076Z",
"updated_at": "2022-09-04T14:37:06.594089Z",
"structure_string": "Cd4 Se4 O12\n1.0\n5.379094 -0.000000 0.000000\n0.000000 6.321494 0.000000\n0.000000 0.000000 8.180321\nCd Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.484163 0.975060 0.750000 Se\n0.984162 0.524939 0.250000 Se\n0.015837 0.475061 0.750000 Se\n0.515837 0.024939 0.250000 Se\n0.703431 0.406777 0.750000 O\n0.203432 0.093223 0.250000 O\n0.633520 0.173332 0.086769 O\n0.133520 0.326668 0.913230 O\n0.866479 0.673332 0.413230 O\n0.133520 0.326668 0.586769 O\n0.366480 0.826668 0.913230 O\n0.866479 0.673332 0.086769 O\n0.296568 0.593222 0.250000 O\n0.633520 0.173332 0.413230 O\n0.366480 0.826668 0.586769 O\n0.796568 0.906777 0.750000 O\n",
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"formula_full": "Cd4 Se4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-18993",
"created_at": "2022-09-04T14:37:06.454255Z",
"updated_at": "2022-09-04T14:37:06.454276Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 -0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
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"volume": 565.2674385099419,
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"formula_full": "Sb8 Se12",
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},
{
"id": "jvasp-26279",
"created_at": "2022-09-04T14:37:06.538537Z",
"updated_at": "2022-09-04T14:37:06.538565Z",
"structure_string": "Li4 Fe4 As4 O16\n1.0\n4.915716 0.000000 0.000000\n-0.000000 6.058331 0.000000\n0.000000 0.000000 10.562130\nLi Fe As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.013686 0.750000 0.276473 Fe\n0.513686 0.250000 0.223527 Fe\n0.986315 0.250000 0.723527 Fe\n0.486315 0.750000 0.776473 Fe\n0.938460 0.750000 0.592553 As\n0.438460 0.250000 0.907447 As\n0.061541 0.250000 0.407447 As\n0.561541 0.750000 0.092553 As\n0.780389 0.971680 0.669281 O\n0.280389 0.028320 0.830719 O\n0.780389 0.528320 0.669281 O\n0.280389 0.471680 0.830719 O\n0.219612 0.028320 0.330719 O\n0.719612 0.971680 0.169281 O\n0.710302 0.750000 0.943340 O\n0.712425 0.250000 0.406685 O\n0.289699 0.250000 0.056660 O\n0.789699 0.750000 0.443340 O\n0.287574 0.750000 0.593315 O\n0.787576 0.250000 0.906685 O\n0.719612 0.528320 0.169281 O\n0.212426 0.750000 0.093315 O\n0.210301 0.250000 0.556660 O\n0.219612 0.471680 0.330719 O\n",
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],
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"spacegroup": 62
}
]
}