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{
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{
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{
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"structure_string": "Nd3 Ti4 O12\n1.0\n3.867444 -3.942129 0.000000\n3.867444 3.942129 0.000000\n0.000000 0.000000 7.752567\nNd Ti O\n3 4 12\ndirect\n0.258317 0.741683 0.000000 Nd\n0.750027 0.249973 0.000000 Nd\n0.253803 0.746197 0.500000 Nd\n0.251469 0.248558 0.742993 Ti\n0.751442 0.748531 0.742993 Ti\n0.751442 0.748531 0.257007 Ti\n0.251469 0.248558 0.257007 Ti\n0.490236 0.991481 0.764892 O\n0.008519 0.509764 0.235108 O\n0.490236 0.991481 0.235108 O\n0.008519 0.509764 0.764892 O\n0.483347 0.516653 0.709998 O\n0.483347 0.516653 0.290002 O\n0.213970 0.192919 0.500000 O\n0.807081 0.786030 0.500000 O\n0.998503 0.001497 0.809904 O\n0.998503 0.001497 0.190096 O\n0.309335 0.300565 0.000000 O\n0.699435 0.690665 0.000000 O\n",
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{
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"structure_string": "Cu4 H36 C16 N4 O24\n1.0\n5.781887 0.000000 0.000000\n0.000000 8.875584 0.000000\n0.000000 0.000000 19.195363\nCu H C N O\n4 36 16 4 24\ndirect\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.234073 0.559351 0.250000 H\n0.265927 0.059351 0.250000 H\n0.900646 0.280345 0.387589 H\n0.464050 0.240353 0.401816 H\n0.111756 0.169688 0.750000 H\n0.590992 0.849951 0.134335 H\n0.099354 0.719655 0.612411 H\n0.765927 0.440649 0.750000 H\n0.964050 0.259647 0.598184 H\n0.388244 0.669688 0.750000 H\n0.230341 0.364913 0.250000 H\n0.888244 0.830312 0.250000 H\n0.769659 0.635087 0.750000 H\n0.400646 0.219655 0.612411 H\n0.409008 0.150049 0.865665 H\n0.035950 0.740353 0.401816 H\n0.535950 0.759647 0.598184 H\n0.400646 0.219655 0.887589 H\n0.964050 0.259647 0.901816 H\n0.599354 0.780345 0.112411 H\n0.269659 0.864913 0.250000 H\n0.099354 0.719655 0.887589 H\n0.590992 0.849951 0.365665 H\n0.909008 0.349951 0.134335 H\n0.734073 0.940649 0.750000 H\n0.599354 0.780345 0.387589 H\n0.909008 0.349951 0.365665 H\n0.464050 0.240353 0.098184 H\n0.611756 0.330312 0.250000 H\n0.090992 0.650049 0.865665 H\n0.035950 0.740353 0.098184 H\n0.409008 0.150049 0.634335 H\n0.535950 0.759647 0.901816 H\n0.900646 0.280345 0.112411 H\n0.730341 0.135087 0.750000 H\n0.090992 0.650049 0.634335 H\n0.341499 0.214489 0.444659 C\n0.158501 0.714489 0.444659 C\n0.341499 0.214489 0.055341 C\n0.319515 0.904296 0.750000 C\n0.841499 0.285511 0.555341 C\n0.658501 0.785511 0.944659 C\n0.054667 0.051355 0.750000 C\n0.445333 0.551355 0.750000 C\n0.819515 0.595704 0.250000 C\n0.680485 0.095704 0.250000 C\n0.158501 0.714489 0.055341 C\n0.658501 0.785511 0.555341 C\n0.180485 0.404296 0.750000 C\n0.945333 0.948645 0.250000 C\n0.841499 0.285511 0.944659 C\n0.554667 0.448645 0.250000 C\n0.324199 0.460820 0.250000 N\n0.675801 0.539180 0.750000 N\n0.175801 0.960820 0.250000 N\n0.824199 0.039180 0.750000 N\n0.196745 0.962388 0.697297 O\n0.696745 0.537612 0.197297 O\n0.303255 0.462388 0.802703 O\n0.803255 0.037612 0.302703 O\n0.177092 0.807234 0.005382 O\n0.232328 0.091010 0.061697 O\n0.267672 0.591010 0.061697 O\n0.696745 0.537612 0.302703 O\n0.767672 0.908990 0.938303 O\n0.822908 0.192766 0.505382 O\n0.677092 0.692766 0.994618 O\n0.732328 0.408990 0.561697 O\n0.803255 0.037612 0.197297 O\n0.677092 0.692766 0.505382 O\n0.822908 0.192766 0.994618 O\n0.767672 0.908990 0.561697 O\n0.232328 0.091010 0.438303 O\n0.732328 0.408990 0.938303 O\n0.267672 0.591010 0.438303 O\n0.177092 0.807234 0.494618 O\n0.303255 0.462388 0.697297 O\n0.322908 0.307234 0.494618 O\n0.322908 0.307234 0.005382 O\n0.196745 0.962388 0.802703 O\n",
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{
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{
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],
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"updated_at": "2021-11-28T01:38:27.785000Z",
"spacegroup": 216
},
{
"id": "mp-762644",
"created_at": "2022-09-04T14:48:04.137746Z",
"structure_string": "Li6 Fe6 Si6 O24\n1.0\n-2.706584 4.687930 0.000001\n-0.000001 0.000007 24.234837\n5.413166 -0.000002 0.000000\nLi Fe Si O\n6 6 6 24\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.166666 0.000000 Li\n0.000000 0.666667 0.000000 Li\n0.000000 0.333334 0.000000 Li\n0.000000 0.833334 0.000000 Li\n0.499999 0.916667 0.999999 Fe\n0.499999 0.583333 0.499999 Fe\n0.000001 0.250000 0.499999 Fe\n0.500001 0.416667 0.000002 Fe\n0.500000 0.083333 0.500001 Fe\n0.999999 0.750000 0.500000 Fe\n0.500000 0.166666 0.000000 Si\n0.500000 0.666668 0.000000 Si\n0.500000 0.333334 0.500000 Si\n0.500000 0.833332 0.500000 Si\n0.000000 0.000001 0.500000 Si\n0.000000 0.499999 0.500000 Si\n0.788212 0.203887 0.185069 O\n0.788220 0.703898 0.185091 O\n0.814909 0.462769 0.211779 O\n0.814931 0.962780 0.211788 O\n0.396871 0.129436 0.185093 O\n0.396860 0.629447 0.185070 O\n0.396871 0.370564 0.211779 O\n0.396860 0.870553 0.211789 O\n0.814908 0.037231 0.603128 O\n0.814931 0.537220 0.603140 O\n0.788211 0.296113 0.603141 O\n0.788219 0.796103 0.603127 O\n0.211789 0.296113 0.396859 O\n0.211781 0.796103 0.396873 O\n0.185092 0.037231 0.396872 O\n0.185069 0.537220 0.396860 O\n0.603129 0.370564 0.788222 O\n0.603141 0.870553 0.788211 O\n0.603128 0.129436 0.814907 O\n0.603141 0.629447 0.814931 O\n0.185092 0.462769 0.788221 O\n0.185069 0.962780 0.788212 O\n0.211788 0.203887 0.814931 O\n0.211780 0.703898 0.814909 O\n",
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"formula_full": "Li6 Fe6 Si6 O24",
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},
{
"id": "mp-1246783",
"created_at": "2022-09-04T14:48:07.629384Z",
"structure_string": "Hf2 Cr2 Ag2 S8\n1.0\n12.996641 0.000000 -5.666351\n0.000000 3.601837 0.000000\n-0.112943 0.000000 6.097538\nHf Cr Ag S\n2 2 2 8\ndirect\n0.753259 0.000000 0.767285 Hf\n0.253259 0.500000 0.767285 Hf\n0.246184 0.000000 0.232523 Cr\n0.746184 0.500000 0.232523 Cr\n0.001651 0.500000 0.519340 Ag\n0.501651 0.000000 0.519340 Ag\n0.138063 0.500000 0.985900 S\n0.866489 0.500000 0.034189 S\n0.638063 0.000000 0.985900 S\n0.366489 0.000000 0.034189 S\n0.143340 0.000000 0.467679 S\n0.851014 0.000000 0.493084 S\n0.643340 0.500000 0.467679 S\n0.351014 0.500000 0.493084 S\n",
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],
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"formula_full": "Hf2 Cr2 Ag2 S8",
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},
{
"id": "mp-1208361",
"created_at": "2022-09-04T14:48:10.415158Z",
"structure_string": "Tb2 Al20 Ru4\n1.0\n4.552382 -5.133175 0.000000\n4.552382 5.133175 0.000000\n0.000000 0.000000 9.157197\nTb Al Ru\n2 20 4\ndirect\n0.873851 0.126149 0.750000 Tb\n0.126149 0.873851 0.250000 Tb\n0.623488 0.376512 0.549258 Al\n0.376512 0.623488 0.450742 Al\n0.376512 0.623488 0.049258 Al\n0.623488 0.376512 0.950742 Al\n0.227390 0.227390 0.500000 Al\n0.772610 0.772610 0.500000 Al\n0.772610 0.772610 0.000000 Al\n0.227390 0.227390 0.000000 Al\n0.843392 0.156608 0.099566 Al\n0.156608 0.843392 0.900434 Al\n0.156608 0.843392 0.599566 Al\n0.843392 0.156608 0.400434 Al\n0.861103 0.586043 0.750000 Al\n0.138897 0.413957 0.250000 Al\n0.413957 0.138897 0.750000 Al\n0.586043 0.861103 0.250000 Al\n0.222432 0.479889 0.750000 Al\n0.777568 0.520111 0.250000 Al\n0.520111 0.777568 0.750000 Al\n0.479889 0.222432 0.250000 Al\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n",
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],
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}
]
}