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{
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{
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{
"id": "mp-774848",
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"structure_string": "H40 Se4 O32\n1.0\n6.265855 0.000000 0.000000\n0.000000 9.297973 0.000000\n0.000000 0.000000 12.786575\nH Se O\n40 4 32\ndirect\n0.012441 0.201285 0.107041 H\n0.012441 0.201285 0.392959 H\n0.057561 0.367863 0.144197 H\n0.057561 0.367863 0.355803 H\n0.064022 0.332300 0.009239 H\n0.064022 0.332300 0.490761 H\n0.121992 0.293029 0.642694 H\n0.121992 0.293029 0.857306 H\n0.235018 0.923709 0.099532 H\n0.235018 0.923709 0.400468 H\n0.264982 0.423709 0.599532 H\n0.264982 0.423709 0.900468 H\n0.378008 0.793029 0.142694 H\n0.378008 0.793029 0.357306 H\n0.435978 0.832300 0.509239 H\n0.435978 0.832300 0.990761 H\n0.442439 0.867863 0.644197 H\n0.442439 0.867863 0.855803 H\n0.487559 0.701285 0.607041 H\n0.487559 0.701285 0.892959 H\n0.512441 0.298715 0.107041 H\n0.512441 0.298715 0.392959 H\n0.557561 0.132137 0.144197 H\n0.557561 0.132137 0.355803 H\n0.564022 0.167700 0.009239 H\n0.564022 0.167700 0.490761 H\n0.621992 0.206971 0.642694 H\n0.621992 0.206971 0.857306 H\n0.735018 0.576291 0.099532 H\n0.735018 0.576291 0.400468 H\n0.764982 0.076291 0.599532 H\n0.764982 0.076291 0.900468 H\n0.878008 0.706971 0.142694 H\n0.878008 0.706971 0.357306 H\n0.935978 0.667700 0.509239 H\n0.935978 0.667700 0.990761 H\n0.942439 0.632137 0.644197 H\n0.942439 0.632137 0.855803 H\n0.987559 0.798715 0.607041 H\n0.987559 0.798715 0.892959 H\n0.106557 0.014625 0.750000 Se\n0.393443 0.514625 0.250000 Se\n0.606557 0.485375 0.750000 Se\n0.893443 0.985375 0.250000 Se\n0.007829 0.693496 0.586663 O\n0.007829 0.693496 0.913337 O\n0.021079 0.035935 0.140223 O\n0.021079 0.035935 0.359777 O\n0.122531 0.192769 0.750000 O\n0.133871 0.366548 0.585789 O\n0.133871 0.366548 0.914211 O\n0.151382 0.435683 0.250000 O\n0.348618 0.935683 0.750000 O\n0.366129 0.866548 0.085789 O\n0.366129 0.866548 0.414211 O\n0.377469 0.692769 0.250000 O\n0.478921 0.535935 0.640223 O\n0.478921 0.535935 0.859777 O\n0.492171 0.193496 0.086663 O\n0.492171 0.193496 0.413337 O\n0.507829 0.806504 0.586663 O\n0.507829 0.806504 0.913337 O\n0.521079 0.464065 0.140223 O\n0.521079 0.464065 0.359777 O\n0.622531 0.307231 0.750000 O\n0.633871 0.133452 0.585789 O\n0.633871 0.133452 0.914211 O\n0.651382 0.064317 0.250000 O\n0.848618 0.564317 0.750000 O\n0.866129 0.633452 0.085789 O\n0.866129 0.633452 0.414211 O\n0.877469 0.807231 0.250000 O\n0.978921 0.964065 0.640223 O\n0.978921 0.964065 0.859777 O\n0.992171 0.306504 0.086663 O\n0.992171 0.306504 0.413337 O\n",
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"density": 1.9351525763702795,
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"volume": 744.942670680547,
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"formula_full": "H40 Se4 O32",
"formula_reduced": "H10SeO8",
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"energy": -401.21146524,
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"updated_at": "2021-11-28T01:34:58.411000Z",
"spacegroup": 62
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{
"id": "mp-727112",
"created_at": "2022-09-04T14:43:48.318299Z",
"structure_string": "Sr8 Cu8 C32 O80\n1.0\n7.490384 0.000000 0.000000\n0.000000 17.649561 0.000000\n0.000000 0.000000 18.652318\nSr Cu C O\n8 8 32 80\ndirect\n0.797020 0.943655 0.041255 Sr\n0.702980 0.443655 0.958745 Sr\n0.297020 0.056345 0.458745 Sr\n0.202980 0.556345 0.541255 Sr\n0.202980 0.056345 0.958745 Sr\n0.297020 0.556345 0.041255 Sr\n0.702980 0.943655 0.541255 Sr\n0.797020 0.443655 0.458745 Sr\n0.640144 0.795824 0.167417 Cu\n0.859856 0.295824 0.832583 Cu\n0.140144 0.204176 0.332583 Cu\n0.359856 0.704176 0.667417 Cu\n0.359856 0.204176 0.832583 Cu\n0.140144 0.704176 0.167417 Cu\n0.859856 0.795824 0.667417 Cu\n0.640144 0.295824 0.332583 Cu\n0.511773 0.831242 0.951211 C\n0.988227 0.331242 0.048789 C\n0.011773 0.168758 0.548789 C\n0.488227 0.668758 0.451211 C\n0.488227 0.168758 0.048789 C\n0.011773 0.668758 0.951211 C\n0.988227 0.831242 0.451211 C\n0.511773 0.331242 0.548789 C\n0.272019 0.915894 0.109131 C\n0.227981 0.415894 0.890869 C\n0.772019 0.084106 0.390869 C\n0.727981 0.584106 0.609131 C\n0.727981 0.084106 0.890869 C\n0.772019 0.584106 0.109131 C\n0.227981 0.915894 0.609131 C\n0.272019 0.415894 0.390869 C\n0.344165 0.715336 0.240586 C\n0.155835 0.215336 0.759414 C\n0.844165 0.284664 0.259414 C\n0.655835 0.784664 0.740586 C\n0.655835 0.284664 0.759414 C\n0.844165 0.784664 0.240586 C\n0.155835 0.715336 0.740586 C\n0.344165 0.215336 0.259414 C\n0.888297 0.034099 0.200695 C\n0.611703 0.534099 0.799305 C\n0.388297 0.965901 0.299305 C\n0.111703 0.465901 0.700695 C\n0.111703 0.965901 0.799305 C\n0.388297 0.465901 0.200695 C\n0.611703 0.034099 0.700695 C\n0.888297 0.534099 0.299305 C\n0.503543 0.898093 0.957844 O\n0.996457 0.398093 0.042156 O\n0.003543 0.101907 0.542156 O\n0.496457 0.601907 0.457844 O\n0.496457 0.101907 0.042156 O\n0.003543 0.601907 0.957844 O\n0.996457 0.898093 0.457844 O\n0.503543 0.398093 0.542156 O\n0.519112 0.765799 0.944595 O\n0.980888 0.265799 0.055405 O\n0.019112 0.234201 0.555405 O\n0.480888 0.734201 0.444595 O\n0.480888 0.234201 0.055405 O\n0.019112 0.734201 0.944595 O\n0.980888 0.765799 0.444595 O\n0.519112 0.265799 0.555405 O\n0.416745 0.941095 0.114234 O\n0.083255 0.441095 0.885766 O\n0.916745 0.058905 0.385766 O\n0.583255 0.558905 0.614234 O\n0.583255 0.058905 0.885766 O\n0.916745 0.558905 0.114234 O\n0.083255 0.941095 0.614234 O\n0.416745 0.441095 0.385766 O\n0.128291 0.889726 0.104301 O\n0.371709 0.389726 0.895699 O\n0.628291 0.110274 0.395699 O\n0.871709 0.610274 0.604301 O\n0.871709 0.110274 0.895699 O\n0.628291 0.610274 0.104301 O\n0.371709 0.889726 0.604301 O\n0.128291 0.389726 0.395699 O\n0.436053 0.770291 0.220849 O\n0.063947 0.270291 0.779151 O\n0.936053 0.229709 0.279151 O\n0.563947 0.729709 0.720849 O\n0.563947 0.229709 0.779151 O\n0.936053 0.729709 0.220849 O\n0.063947 0.770291 0.720849 O\n0.436053 0.270291 0.279151 O\n0.329581 0.672870 0.290879 O\n0.170419 0.172870 0.709121 O\n0.829581 0.327130 0.209121 O\n0.670419 0.827130 0.790879 O\n0.670419 0.327130 0.709121 O\n0.829581 0.827130 0.290879 O\n0.170419 0.672870 0.790879 O\n0.329581 0.172870 0.209121 O\n0.780993 0.989471 0.181540 O\n0.719007 0.489471 0.818460 O\n0.280993 0.010529 0.318460 O\n0.219007 0.510529 0.681540 O\n0.219007 0.010529 0.818460 O\n0.280993 0.510529 0.181540 O\n0.719007 0.989471 0.681540 O\n0.780993 0.489471 0.318460 O\n0.990941 0.077627 0.223741 O\n0.509059 0.577627 0.776259 O\n0.490941 0.922373 0.276259 O\n0.009059 0.422373 0.723741 O\n0.009059 0.922373 0.776259 O\n0.490941 0.422373 0.223741 O\n0.509059 0.077627 0.723741 O\n0.990941 0.577627 0.276259 O\n0.005766 0.952769 0.948338 O\n0.494234 0.452769 0.051662 O\n0.505766 0.047231 0.551662 O\n0.994234 0.547231 0.448338 O\n0.994234 0.047231 0.051662 O\n0.505766 0.547231 0.948338 O\n0.494234 0.952769 0.448338 O\n0.005766 0.452769 0.551662 O\n0.765531 0.825818 0.095533 O\n0.734469 0.325818 0.904467 O\n0.265531 0.174182 0.404467 O\n0.234469 0.674182 0.595533 O\n0.234469 0.174182 0.904467 O\n0.265531 0.674182 0.095533 O\n0.734469 0.825818 0.595533 O\n0.765531 0.325818 0.404467 O\n",
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{
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{
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