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{
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{
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"created_at": "2022-09-04T14:43:52.954153Z",
"structure_string": "In16 Au36\n1.0\n10.077537 0.000000 0.000000\n0.000000 10.077537 0.000000\n0.000000 0.000000 10.077537\nIn Au\n16 36\ndirect\n0.876567 0.876567 0.123433 In\n0.462014 0.808693 0.191307 In\n0.808693 0.462014 0.191307 In\n0.808693 0.808693 0.537986 In\n0.876567 0.123433 0.876567 In\n0.191307 0.191307 0.537986 In\n0.191307 0.537986 0.191307 In\n0.123433 0.123433 0.123433 In\n0.537986 0.808693 0.808693 In\n0.462014 0.191307 0.808693 In\n0.808693 0.191307 0.462014 In\n0.537986 0.191307 0.191307 In\n0.808693 0.537986 0.808693 In\n0.191307 0.462014 0.808693 In\n0.123433 0.876567 0.876567 In\n0.191307 0.808693 0.462014 In\n0.033730 0.685326 0.685326 Au\n0.033730 0.314674 0.314674 Au\n0.000000 0.361072 0.000000 Au\n0.500000 0.860836 0.500000 Au\n0.314674 0.685326 0.966270 Au\n0.685326 0.033730 0.685326 Au\n0.314674 0.314674 0.033730 Au\n0.685326 0.685326 0.033730 Au\n0.685326 0.314674 0.966270 Au\n0.832883 0.832883 0.832883 Au\n0.314674 0.966270 0.685326 Au\n0.832883 0.167117 0.167117 Au\n0.608481 0.608481 0.608481 Au\n0.675498 0.324502 0.675498 Au\n0.500000 0.500000 0.860836 Au\n0.966270 0.314674 0.685326 Au\n0.685326 0.966270 0.314674 Au\n0.324502 0.324502 0.324502 Au\n0.391519 0.391519 0.608481 Au\n0.500000 0.139164 0.500000 Au\n0.860836 0.500000 0.500000 Au\n0.324502 0.675498 0.675498 Au\n0.000000 0.000000 0.638928 Au\n0.966270 0.685326 0.314674 Au\n0.000000 0.000000 0.361072 Au\n0.167117 0.167117 0.832883 Au\n0.361072 0.000000 0.000000 Au\n0.000000 0.638928 0.000000 Au\n0.500000 0.500000 0.139164 Au\n0.675498 0.675498 0.324502 Au\n0.167117 0.832883 0.167117 Au\n0.391519 0.608481 0.391519 Au\n0.608481 0.391519 0.391519 Au\n0.638928 0.000000 0.000000 Au\n0.314674 0.033730 0.314674 Au\n0.139164 0.500000 0.500000 Au\n",
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{
"id": "mp-1198565",
"created_at": "2022-09-04T14:43:50.145724Z",
"structure_string": "Cu2 Pb10 Se8 Cl8 O24\n1.0\n2.760511 12.610175 0.000000\n-2.760511 12.610175 0.000000\n0.000000 2.667716 14.138276\nCu Pb Se Cl O\n2 10 8 8 24\ndirect\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.948272 0.830038 0.176286 Pb\n0.169962 0.051728 0.323714 Pb\n0.051728 0.169962 0.823714 Pb\n0.830038 0.948272 0.676286 Pb\n0.745718 0.716416 0.369171 Pb\n0.283584 0.254282 0.130829 Pb\n0.254282 0.283584 0.630829 Pb\n0.716416 0.745718 0.869171 Pb\n0.564757 0.435243 0.250000 Pb\n0.435243 0.564757 0.750000 Pb\n0.340007 0.334708 0.322979 Se\n0.665292 0.659993 0.177021 Se\n0.659993 0.665292 0.677021 Se\n0.334708 0.340007 0.822979 Se\n0.965781 0.944207 0.417472 Se\n0.055793 0.034219 0.082528 Se\n0.034219 0.055793 0.582528 Se\n0.944207 0.965781 0.917472 Se\n0.197088 0.219728 0.458463 Cl\n0.780272 0.802912 0.041537 Cl\n0.802912 0.780272 0.541537 Cl\n0.219728 0.197088 0.958463 Cl\n0.418698 0.355441 0.538072 Cl\n0.644559 0.581302 0.961928 Cl\n0.581302 0.644559 0.461928 Cl\n0.355441 0.418698 0.038072 Cl\n0.553249 0.075828 0.260973 O\n0.924172 0.446751 0.239027 O\n0.446751 0.924172 0.739027 O\n0.075828 0.553249 0.760973 O\n0.882179 0.990510 0.312107 O\n0.009490 0.117821 0.187893 O\n0.117821 0.009490 0.687893 O\n0.990510 0.882179 0.812107 O\n0.066656 0.545344 0.274635 O\n0.454656 0.933344 0.225365 O\n0.933344 0.454656 0.725365 O\n0.545344 0.066656 0.774635 O\n0.262290 0.734847 0.392943 O\n0.265153 0.737710 0.107057 O\n0.737710 0.265153 0.607057 O\n0.734847 0.262290 0.892943 O\n0.797553 0.215531 0.413887 O\n0.784469 0.202447 0.086113 O\n0.202447 0.784469 0.586113 O\n0.215531 0.797553 0.913887 O\n0.343574 0.458601 0.260655 O\n0.541399 0.656426 0.239345 O\n0.656426 0.541399 0.739345 O\n0.458601 0.343574 0.760655 O\n",
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{
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"structure_string": "Np8 S4 O40\n1.0\n5.549786 0.000000 0.000000\n0.000000 13.761942 0.000000\n0.000000 0.435339 13.891725\nNp S O\n8 4 40\ndirect\n0.179292 0.334392 0.358949 Np\n0.179292 0.165608 0.641051 Np\n0.820708 0.665608 0.641051 Np\n0.820708 0.834392 0.358949 Np\n0.668273 0.342144 0.144998 Np\n0.668273 0.157856 0.855002 Np\n0.331727 0.657856 0.855002 Np\n0.331727 0.842144 0.144998 Np\n0.397648 0.114915 0.243666 S\n0.397648 0.385085 0.756334 S\n0.602352 0.885085 0.756334 S\n0.602352 0.614915 0.243666 S\n0.215648 0.065686 0.163590 O\n0.215648 0.434314 0.836410 O\n0.784352 0.934314 0.836410 O\n0.784352 0.565686 0.163590 O\n0.504651 0.038501 0.301691 O\n0.504651 0.461499 0.698309 O\n0.495349 0.961499 0.698309 O\n0.495349 0.538501 0.301691 O\n0.211983 0.173030 0.291798 O\n0.211983 0.326970 0.708202 O\n0.788017 0.826970 0.708202 O\n0.788017 0.673030 0.291798 O\n0.577735 0.174143 0.188716 O\n0.577735 0.325857 0.811284 O\n0.422265 0.825857 0.811284 O\n0.422265 0.674143 0.188716 O\n0.343040 0.354236 0.471917 O\n0.343040 0.145764 0.528083 O\n0.656960 0.645764 0.528083 O\n0.656960 0.854236 0.471917 O\n0.649220 0.495700 0.108232 O\n0.649220 0.004300 0.891768 O\n0.350780 0.504300 0.891768 O\n0.350780 0.995700 0.108232 O\n0.458304 0.345007 0.279427 O\n0.458304 0.154993 0.720573 O\n0.541696 0.654993 0.720573 O\n0.541696 0.845007 0.279427 O\n0.890954 0.319475 0.415927 O\n0.890954 0.180525 0.584073 O\n0.109046 0.680525 0.584073 O\n0.109046 0.819475 0.415927 O\n0.409355 0.334560 0.069110 O\n0.409355 0.165440 0.930890 O\n0.590645 0.665440 0.930890 O\n0.590645 0.834560 0.069110 O\n0.950699 0.353355 0.218199 O\n0.950699 0.146645 0.781801 O\n0.049301 0.646645 0.781801 O\n0.049301 0.853355 0.218199 O\n",
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{
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{
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"total_magnetization": 0.0185879,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.789000Z",
"spacegroup": 15
}
]
}