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{
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"structure_string": "Li6 Co4 C8 O24\n1.0\n-1.860059 -2.063241 -4.648773\n0.985192 6.269852 -0.073942\n15.330399 -1.932427 -4.739229\nLi Co C O\n6 4 8 24\ndirect\n0.626309 0.953046 0.155376 Li\n0.134486 0.957561 0.658455 Li\n0.174600 0.051545 0.337399 Li\n0.677878 0.050069 0.837596 Li\n0.168565 0.527812 0.421537 Li\n0.664426 0.521266 0.929367 Li\n0.636103 0.002871 0.501083 Co\n0.125136 0.516049 0.739285 Co\n0.134888 0.993965 0.000734 Co\n0.585528 0.507027 0.246772 Co\n0.775831 0.611133 0.106834 C\n0.282095 0.611499 0.602684 C\n0.227360 0.124875 0.148477 C\n0.741767 0.123452 0.649626 C\n0.610751 0.884545 0.348512 C\n0.113650 0.873416 0.848762 C\n0.661537 0.397041 0.394128 C\n0.137609 0.383311 0.897387 C\n0.873372 0.658275 0.033858 O\n0.364137 0.661480 0.528649 O\n0.547367 0.618986 0.125593 O\n0.050942 0.608203 0.627090 O\n0.994011 0.086536 0.117615 O\n0.503292 0.081486 0.621195 O\n0.397519 0.084755 0.103864 O\n0.906294 0.084896 0.601210 O\n0.296539 0.199525 0.224887 O\n0.822104 0.198453 0.724806 O\n0.895710 0.554417 0.168681 O\n0.415713 0.562274 0.662502 O\n0.610949 0.819263 0.272533 O\n0.120555 0.815218 0.772219 O\n0.420298 0.386873 0.374964 O\n0.893612 0.364648 0.889375 O\n0.825894 0.945656 0.395206 O\n0.325426 0.931311 0.896990 O\n0.840401 0.472174 0.334983 O\n0.300016 0.455753 0.832834 O\n0.394563 0.888191 0.379213 O\n0.895433 0.876720 0.878581 O\n0.730642 0.338700 0.464224 O\n0.245536 0.334624 0.962729 O\n",
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"formula_full": "Li6 Co4 C8 O24",
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"spacegroup": 1
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{
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"created_at": "2022-09-04T14:44:57.336144Z",
"structure_string": "V4 Zn2 S8\n1.0\n0.000000 5.037703 5.037703\n5.037703 0.000000 5.037703\n5.037703 5.037703 0.000000\nV Zn S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 V\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.900329 0.366557 0.366557 S\n0.366557 0.366557 0.900329 S\n0.366557 0.366557 0.366557 S\n0.349671 0.883443 0.883443 S\n0.883443 0.349671 0.883443 S\n0.883443 0.883443 0.349671 S\n0.366557 0.900329 0.366557 S\n0.883443 0.883443 0.883443 S\n",
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"density": 3.8387101440167903,
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"volume": 255.6982026771212,
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"formula_full": "V4 Zn2 S8",
"formula_reduced": "V2ZnS4",
"formula_anonymous": "AB2C4",
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{
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"structure_string": "Ho1 Mn12\n1.0\n-4.133154 4.133154 2.347287\n4.133154 -4.133154 2.347287\n4.133154 4.133154 -2.347287\nHo Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.271014 0.771014 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.634964 0.634964 Mn\n0.365036 0.000000 0.365036 Mn\n0.634964 0.000000 0.634964 Mn\n0.000000 0.365036 0.365036 Mn\n0.500000 0.728986 0.228986 Mn\n0.271014 0.500000 0.771014 Mn\n0.728986 0.500000 0.228986 Mn\n",
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"formula_full": "Ho1 Mn12",
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{
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"created_at": "2022-09-04T14:44:56.614049Z",
"structure_string": "Cr2 H1 O4\n1.0\n3.022023 0.000000 0.000000\n0.000000 4.811843 0.000000\n0.000000 1.876795 4.882045\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 H\n0.000000 0.198375 0.604541 O\n0.500000 0.770223 0.912254 O\n0.500000 0.229777 0.087746 O\n0.000000 0.801625 0.395459 O\n",
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{
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"structure_string": "Ca2 Zn4 Si4 O16\n1.0\n0.000000 -3.146810 -4.305343\n0.000000 -3.146810 4.305343\n-12.748363 0.000000 0.000000\nCa Zn Si O\n2 4 4 16\ndirect\n0.862191 0.652808 0.250000 Ca\n0.347192 0.137809 0.750000 Ca\n0.999714 0.000286 0.500000 Zn\n0.999714 0.000286 0.000000 Zn\n0.492096 0.507904 0.500000 Zn\n0.492096 0.507904 0.000000 Zn\n0.493588 0.025500 0.367232 Si\n0.974500 0.506412 0.632768 Si\n0.493588 0.025500 0.132768 Si\n0.974500 0.506412 0.867232 Si\n0.629680 0.877434 0.454544 O\n0.122566 0.370320 0.545456 O\n0.629680 0.877434 0.045456 O\n0.122566 0.370320 0.954544 O\n0.609475 0.344694 0.376342 O\n0.655306 0.390525 0.623658 O\n0.609475 0.344694 0.123658 O\n0.655306 0.390525 0.876342 O\n0.173284 0.908966 0.375236 O\n0.091034 0.826716 0.624764 O\n0.173284 0.908966 0.124764 O\n0.091034 0.826716 0.875236 O\n0.584392 0.935310 0.250000 O\n0.064690 0.415608 0.750000 O\n0.121471 0.342222 0.250000 O\n0.657778 0.878529 0.750000 O\n",
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"volume": 345.4321018810322,
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"formula_full": "Ca2 Zn4 Si4 O16",
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}