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{
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"structure_string": "Zn6 B2 P2 O14\n1.0\n6.444969 4.898735 0.012507\n-6.444969 4.898735 0.012507\n0.000000 2.451188 4.289590\nZn B P O\n6 2 2 14\ndirect\n0.204186 0.933204 0.537293 Zn\n0.698397 0.479957 0.538459 Zn\n0.479957 0.698397 0.538459 Zn\n0.647868 0.150131 0.229521 Zn\n0.150131 0.647868 0.229521 Zn\n0.933204 0.204186 0.537293 Zn\n0.517675 0.942455 0.898820 B\n0.942455 0.517675 0.898820 B\n0.393708 0.393708 0.233093 P\n0.940018 0.940018 0.141344 P\n0.090286 0.891773 0.240416 O\n0.396621 0.806630 0.198251 O\n0.806630 0.396621 0.198251 O\n0.663955 0.098758 0.853537 O\n0.891773 0.090286 0.240416 O\n0.541076 0.541076 0.901097 O\n0.021035 0.021035 0.778538 O\n0.759582 0.759582 0.278862 O\n0.098758 0.663955 0.853537 O\n0.397361 0.197245 0.267326 O\n0.924245 0.485726 0.645742 O\n0.485726 0.924245 0.645742 O\n0.440953 0.440953 0.490353 O\n0.197245 0.397361 0.267326 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:06.627029Z",
"updated_at": "2022-09-04T14:38:06.627054Z",
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{
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"structure_string": "Zn4 Bi8 B8 O28\n1.0\n4.942165 0.000000 0.000000\n0.000000 10.896086 0.000000\n0.000000 0.000000 11.005410\nZn Bi B O\n4 8 8 28\ndirect\n0.069651 0.741158 0.242750 Zn\n0.069651 0.241158 0.257250 Zn\n0.069651 0.258843 0.757250 Zn\n0.069651 0.758843 0.742750 Zn\n0.583017 0.321990 0.027932 Bi\n0.579229 0.512715 0.315273 Bi\n0.579229 0.487285 0.684727 Bi\n0.583017 0.678010 0.972068 Bi\n0.579229 0.987286 0.815273 Bi\n0.583017 0.178010 0.527932 Bi\n0.583017 0.821990 0.472068 Bi\n0.579229 0.012715 0.184727 Bi\n0.126176 0.486179 0.127602 B\n0.078113 0.615981 0.521569 B\n0.078113 0.115981 0.978431 B\n0.126176 0.013822 0.627602 B\n0.126176 0.986179 0.372398 B\n0.078113 0.384019 0.478431 B\n0.126176 0.513822 0.872398 B\n0.078113 0.884019 0.021569 B\n0.268563 0.128212 0.674295 O\n0.336423 0.634272 0.483311 O\n0.336423 0.865729 0.983311 O\n0.336423 0.134271 0.016689 O\n0.249310 0.587830 0.201252 O\n0.249310 0.912171 0.701252 O\n0.336423 0.365729 0.516689 O\n0.738146 0.699819 0.328149 O\n0.249310 0.412171 0.798748 O\n0.830380 0.019768 0.639523 O\n0.738146 0.800182 0.828149 O\n0.830380 0.980233 0.360477 O\n0.268563 0.871789 0.325705 O\n0.925232 0.696891 0.585971 O\n0.925232 0.803109 0.085971 O\n0.738146 0.300181 0.671851 O\n0.218527 0.000000 0.500000 O\n0.830380 0.519768 0.860477 O\n0.249310 0.087830 0.298748 O\n0.830380 0.480232 0.139523 O\n0.954905 0.000000 0.000000 O\n0.738146 0.199819 0.171851 O\n0.268563 0.371789 0.174295 O\n0.925232 0.196891 0.914029 O\n0.218527 0.500000 0.000000 O\n0.954905 0.500000 0.500000 O\n0.925232 0.303109 0.414029 O\n0.268563 0.628212 0.825705 O\n",
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{
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"structure_string": "Zn4 Bi2 Sb2 O12\n1.0\n0.000000 5.514823 0.004634\n8.172270 0.000000 0.000000\n0.000000 -0.205082 -5.594504\nZn Bi Sb O\n4 2 2 12\ndirect\n0.522230 0.750000 0.505692 Zn\n0.477770 0.250000 0.494308 Zn\n0.011163 0.750000 0.966931 Zn\n0.988837 0.250000 0.033069 Zn\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.361735 0.572563 0.308316 O\n0.863450 0.750000 0.633124 O\n0.638265 0.072563 0.691685 O\n0.614925 0.250000 0.137790 O\n0.819561 0.926374 0.125680 O\n0.180439 0.073626 0.874320 O\n0.819561 0.573626 0.125680 O\n0.361735 0.927437 0.308316 O\n0.385075 0.750000 0.862210 O\n0.638265 0.427437 0.691685 O\n0.180439 0.426374 0.874320 O\n0.136550 0.250000 0.366876 O\n",
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{
"id": "jvasp-21327",
"created_at": "2022-09-04T14:37:07.703789Z",
"updated_at": "2022-09-04T14:37:07.703810Z",
"structure_string": "Zn4 Bi2 W2 O12\n1.0\n0.000000 5.485251 -0.100533\n5.520271 0.000000 0.000000\n0.000000 -5.114766 -8.131348\nZn Bi W O\n4 2 2 12\ndirect\n0.288443 0.988251 0.256532 Zn\n0.711556 0.488251 0.243468 Zn\n0.711556 0.011749 0.743468 Zn\n0.288443 0.511749 0.756532 Zn\n0.500000 0.000000 -0.000000 Bi\n0.499999 0.500000 0.500000 Bi\n-0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.666402 0.133552 0.285757 O\n0.333597 0.633552 0.214243 O\n0.739853 0.633470 0.059411 O\n0.260146 0.133470 0.440589 O\n0.260145 0.366530 0.940589 O\n0.980469 0.196923 0.096061 O\n0.019530 0.803077 0.903939 O\n0.980469 0.303077 0.596061 O\n0.333597 0.866448 0.714243 O\n0.019530 0.696922 0.403939 O\n0.739853 0.866530 0.559411 O\n0.666402 0.366448 0.785757 O\n",
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{
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{
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{
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"structure_string": "Zn2 Co2 P2 O10\n1.0\n5.256665 0.091017 -0.017231\n-0.753994 5.273889 -0.014372\n-1.882693 -2.235679 6.171270\nZn Co P O\n2 2 2 10\ndirect\n0.866789 0.719972 0.246460 Zn\n0.143401 0.271573 0.724453 Zn\n0.505081 0.995754 0.485445 Co\n0.505077 0.995749 0.985446 Co\n0.128932 0.308571 0.229068 P\n0.881216 0.682929 0.741821 P\n0.263619 0.234749 0.051494 O\n0.167686 0.117468 0.364639 O\n0.746523 0.756744 0.919392 O\n0.842469 0.874025 0.606242 O\n0.783955 0.383319 0.597436 O\n0.192288 0.695712 0.847623 O\n0.226214 0.608175 0.373457 O\n0.817867 0.295790 0.123276 O\n0.436190 0.090613 0.735740 O\n0.573957 0.900880 0.235142 O\n",
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{
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"structure_string": "Zn4 Co2 Sb2 O12\n1.0\n0.000000 5.143325 -0.017472\n7.631298 0.000000 0.000000\n0.000000 0.001578 -5.205582\nZn Co Sb O\n4 2 2 12\ndirect\n0.486298 0.250000 0.555879 Zn\n0.513703 0.750000 0.444120 Zn\n0.988163 0.250000 0.024460 Zn\n0.011838 0.750000 0.975539 Zn\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.326434 0.434158 0.314779 O\n0.614332 0.250000 0.925621 O\n0.673568 0.934158 0.685220 O\n0.128385 0.750000 0.574999 O\n0.183185 0.067059 0.822174 O\n0.816816 0.932941 0.177825 O\n0.183185 0.432941 0.822174 O\n0.326434 0.065842 0.314779 O\n0.871616 0.250000 0.425001 O\n0.673568 0.565842 0.685220 O\n0.816816 0.567060 0.177825 O\n0.385669 0.750000 0.074378 O\n",
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"created_at": "2022-09-04T14:36:37.995727Z",
"updated_at": "2022-09-04T14:36:37.995753Z",
"structure_string": "Zn2 Co2 Si4 O12\n1.0\n5.139354 0.119213 1.187678\n1.425886 6.517269 0.541967\n0.158268 -0.094220 6.690871\nZn Co Si O\n2 2 4 12\ndirect\n0.750000 0.242086 0.757914 Zn\n0.250002 0.757914 0.242087 Zn\n0.249999 0.092652 0.907349 Co\n0.749999 0.907349 0.092652 Co\n0.239923 0.217272 0.390771 Si\n0.260077 0.609229 0.782729 Si\n0.739923 0.390770 0.217272 Si\n0.760078 0.782728 0.609230 Si\n0.647656 0.961311 0.788690 O\n0.852345 0.211309 0.038690 O\n0.626020 0.623457 0.136653 O\n0.873979 0.863348 0.376544 O\n0.373980 0.376542 0.863348 O\n0.010712 0.609956 0.675316 O\n0.989287 0.390044 0.324685 O\n0.510713 0.675316 0.609957 O\n0.352344 0.038689 0.211311 O\n0.489289 0.324685 0.390044 O\n0.126021 0.136651 0.623457 O\n0.147657 0.788690 0.961311 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Co",
"Si",
"O"
],
"chemical_system": "Co-O-Si-Zn",
"density": 4.139170973714085,
"density_atomic": 0.09014757785177982,
"volume": 221.85842899610566,
"volume_molar": 6.680313441035069,
"formula_full": "Zn2 Co2 Si4 O12",
"formula_reduced": "ZnCo(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.468897950000001,
"spacegroup": 15
},
{
"id": "jvasp-111482",
"created_at": "2022-09-04T14:38:40.790075Z",
"updated_at": "2022-09-04T14:38:40.790107Z",
"structure_string": "Zn1 Cr4 Cd1 Se8\n1.0\n6.552737 0.000000 3.783224\n2.184245 6.177979 3.783224\n0.000000 0.000000 7.566449\nZn Cr Cd Se\n1 4 1 8\ndirect\n0.500001 0.500000 0.499999 Zn\n0.623879 0.125374 0.125374 Cr\n0.125375 0.623878 0.125374 Cr\n0.125374 0.125374 0.623878 Cr\n0.125374 0.125374 0.125374 Cr\n0.750001 0.750000 0.749999 Cd\n0.329885 0.890038 0.890037 Se\n0.890039 0.329884 0.890037 Se\n0.890039 0.890038 0.329883 Se\n0.890039 0.890038 0.890037 Se\n0.906073 0.364642 0.364641 Se\n0.364643 0.906072 0.364641 Se\n0.364643 0.364642 0.906072 Se\n0.364643 0.364642 0.364642 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Cd",
"Se"
],
"chemical_system": "Cd-Cr-Se-Zn",
"density": 5.515889818781945,
"density_atomic": 0.045705320773044796,
"volume": 306.31006988264375,
"volume_molar": 13.176016835990838,
"formula_full": "Zn1 Cr4 Cd1 Se8",
"formula_reduced": "ZnCr4CdSe8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.327101191666667,
"spacegroup": 216
}
]
}