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{
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{
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{
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{
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"created_at": "2022-09-04T14:42:01.396472Z",
"structure_string": "Co8 Ru1 S8\n1.0\n-4.930159 -4.930159 0.000000\n-4.930159 0.000000 -4.930159\n0.000000 -4.930159 -4.930159\nCo Ru S\n8 1 8\ndirect\n0.621995 0.126002 0.126002 Co\n0.126002 0.621995 0.126002 Co\n0.126002 0.126002 0.621995 Co\n0.126002 0.126002 0.126002 Co\n0.378005 0.873998 0.873998 Co\n0.873998 0.378005 0.873998 Co\n0.873998 0.873998 0.378005 Co\n0.873998 0.873998 0.873998 Co\n0.500000 0.500000 0.500000 Ru\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.740373 0.259627 0.259627 S\n0.740373 0.259627 0.740373 S\n0.740373 0.740373 0.259627 S\n0.259627 0.740373 0.740373 S\n0.259627 0.740373 0.259627 S\n0.259627 0.259627 0.740373 S\n",
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{
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{
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{
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{
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"structure_string": "Li2 U4 Cl6 O16\n1.0\n7.820580 -0.055651 -0.697904\n-1.010995 8.021050 -3.199062\n0.216031 0.093629 8.710233\nLi U Cl O\n2 4 6 16\ndirect\n0.638100 0.191931 0.776296 Li\n0.361900 0.808069 0.223704 Li\n0.186691 0.193297 0.205449 U\n0.813309 0.806703 0.794551 U\n0.629584 0.516369 0.338033 U\n0.370416 0.483631 0.661967 U\n0.446227 0.295793 0.021723 Cl\n0.553773 0.704207 0.978277 Cl\n0.887944 0.970392 0.141037 Cl\n0.112056 0.029608 0.858963 Cl\n0.090230 0.245669 0.520489 Cl\n0.909770 0.754331 0.479511 Cl\n0.307665 0.025869 0.212876 O\n0.692334 0.974131 0.787124 O\n0.070111 0.354063 0.186265 O\n0.929889 0.645937 0.813735 O\n0.747248 0.351809 0.347664 O\n0.252752 0.648191 0.652336 O\n0.505775 0.677018 0.315402 O\n0.494225 0.322982 0.684598 O\n0.385550 0.384059 0.385494 O\n0.614450 0.615941 0.614506 O\n0.718393 0.460727 0.069846 O\n0.281607 0.539273 0.930154 O\n0.871745 0.321262 0.833404 O\n0.128255 0.678738 0.166596 O\n0.567211 0.021057 0.475556 O\n0.432789 0.978943 0.524444 O\n",
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{
"id": "mp-801079",
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"structure_string": "Li3 Co4 O8\n1.0\n5.668206 0.000000 0.000000\n-2.759139 4.986267 0.000000\n-0.159474 -3.172615 4.781140\nLi Co O\n3 4 8\ndirect\n0.499211 0.001422 0.001450 Li\n0.997307 0.999069 0.502407 Li\n0.493306 0.500142 0.007263 Li\n0.998856 0.499671 0.501021 Co\n0.001391 0.002420 0.000541 Co\n0.498641 0.499550 0.501159 Co\n0.498342 0.999587 0.501196 Co\n0.824814 0.066780 0.715787 O\n0.717834 0.489703 0.281992 O\n0.305931 0.041215 0.717421 O\n0.203586 0.483713 0.280329 O\n0.795628 0.516320 0.720534 O\n0.691498 0.958088 0.284732 O\n0.279961 0.510248 0.720066 O\n0.172404 0.932431 0.286660 O\n",
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{
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"elements": [
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],
"chemical_system": "Sb-Sc",
"density": 5.2469081746211454,
"density_atomic": 0.04283990530485791,
"volume": 746.9671039718966,
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"formula_full": "Sc20 Sb12",
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{
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"chemical_system": "C-Pb-Sm",
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"volume": 195.9032708549087,
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"formula_full": "Sm3 Pb1 C1",
"formula_reduced": "Sm3PbC",
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"updated_at": "2021-11-28T01:35:32.882000Z",
"spacegroup": 221
},
{
"id": "mp-9266",
"created_at": "2022-09-04T14:42:02.730583Z",
"structure_string": "Na12 Fe2 S8\n1.0\n4.473294 -7.747972 0.000000\n4.473294 7.747972 0.000000\n0.000000 0.000000 6.947354\nNa Fe S\n12 2 8\ndirect\n0.146869 0.853131 0.539430 Na\n0.293737 0.146869 0.039430 Na\n0.853131 0.706263 0.039430 Na\n0.146869 0.293737 0.539430 Na\n0.706263 0.853131 0.539430 Na\n0.853131 0.146869 0.039430 Na\n0.531708 0.468292 0.368704 Na\n0.063415 0.531708 0.868704 Na\n0.468292 0.936585 0.868704 Na\n0.531708 0.063415 0.368704 Na\n0.936585 0.468292 0.368704 Na\n0.468292 0.531708 0.868704 Na\n0.666667 0.333333 0.752869 Fe\n0.333333 0.666667 0.252869 Fe\n0.810891 0.189109 0.645879 S\n0.621782 0.810891 0.145879 S\n0.333333 0.666667 0.591991 S\n0.666667 0.333333 0.091991 S\n0.189109 0.810891 0.145879 S\n0.378218 0.189109 0.645879 S\n0.810891 0.621782 0.645879 S\n0.189109 0.378218 0.145879 S\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Fe-Na-S",
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"volume": 481.57608237213174,
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"formula_full": "Na12 Fe2 S8",
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"updated_at": "2021-11-28T01:35:31.826000Z",
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}
]
}