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{
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{
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"structure_string": "Mg12 V2 Bi2\n1.0\n5.220811 0.000000 0.000000\n0.000000 6.208901 0.000000\n0.000000 0.000000 11.091552\nMg V Bi\n12 2 2\ndirect\n0.500000 0.748576 0.916689 Mg\n0.500000 0.251424 0.916689 Mg\n0.000000 0.261541 0.582145 Mg\n0.000000 0.738459 0.582145 Mg\n0.000000 0.500000 0.829467 Mg\n0.000000 0.000000 0.838391 Mg\n0.500000 0.248576 0.416689 Mg\n0.500000 0.751424 0.416689 Mg\n0.000000 0.761541 0.082145 Mg\n0.000000 0.238459 0.082145 Mg\n0.000000 0.000000 0.329467 Mg\n0.000000 0.500000 0.338391 Mg\n0.500000 0.500000 0.666500 V\n0.500000 0.000000 0.166500 V\n0.500000 0.000000 0.667969 Bi\n0.500000 0.500000 0.167969 Bi\n",
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{
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{
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"spacegroup": 221
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{
"id": "mp-8387",
"created_at": "2022-09-04T14:48:06.419043Z",
"structure_string": "Tl6 Te1 O6\n1.0\n4.641928 -4.873605 0.000000\n4.641928 4.873605 0.000000\n-0.474917 0.000000 6.713716\nTl Te O\n6 1 6\ndirect\n0.443819 0.736820 0.870571 Tl\n0.870571 0.443819 0.736820 Tl\n0.736820 0.870571 0.443819 Tl\n0.556181 0.263180 0.129429 Tl\n0.129429 0.556181 0.263180 Tl\n0.263180 0.129429 0.556181 Tl\n0.000000 0.000000 0.000000 Te\n0.958754 0.035017 0.711431 O\n0.711431 0.958754 0.035017 O\n0.035017 0.711431 0.958754 O\n0.041246 0.964983 0.288569 O\n0.288569 0.041246 0.964983 O\n0.964983 0.288569 0.041246 O\n",
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{
"id": "mp-1185280",
"created_at": "2022-09-04T14:48:06.419525Z",
"structure_string": "Li6 Te2\n1.0\n3.115032 -5.395394 0.000000\n3.115032 5.395394 0.000000\n0.000000 0.000000 4.562675\nLi Te\n6 2\ndirect\n0.166789 0.333579 0.250000 Li\n0.666421 0.833211 0.250000 Li\n0.166789 0.833211 0.250000 Li\n0.833211 0.666421 0.750000 Li\n0.333579 0.166789 0.750000 Li\n0.833211 0.166789 0.750000 Li\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n",
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{
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"structure_string": "Sm12 Cr4 Se24\n1.0\n4.016836 0.000000 0.000000\n0.000000 14.185950 0.000000\n0.000000 0.000000 16.925314\nSm Cr Se\n12 4 24\ndirect\n0.500000 0.740064 0.594930 Sm\n0.500000 0.259936 0.405070 Sm\n0.000000 0.240064 0.905070 Sm\n0.000000 0.759936 0.094930 Sm\n0.500000 0.946358 0.778592 Sm\n0.500000 0.053642 0.221408 Sm\n0.000000 0.446358 0.721408 Sm\n0.000000 0.553642 0.278592 Sm\n0.500000 0.178859 0.648489 Sm\n0.500000 0.821141 0.351511 Sm\n0.000000 0.678859 0.851511 Sm\n0.000000 0.321141 0.148489 Sm\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.975938 0.596447 Se\n0.500000 0.024062 0.403553 Se\n0.000000 0.475938 0.903553 Se\n0.000000 0.524062 0.096447 Se\n0.500000 0.078331 0.924385 Se\n0.500000 0.921669 0.075615 Se\n0.000000 0.578331 0.575615 Se\n0.000000 0.421669 0.424385 Se\n0.000000 0.101268 0.756295 Se\n0.000000 0.898732 0.243705 Se\n0.500000 0.601268 0.743705 Se\n0.500000 0.398732 0.256295 Se\n0.000000 0.122471 0.105863 Se\n0.000000 0.877529 0.894137 Se\n0.500000 0.622471 0.394137 Se\n0.500000 0.377529 0.605863 Se\n0.000000 0.190876 0.290377 Se\n0.000000 0.809124 0.709623 Se\n0.500000 0.690876 0.209623 Se\n0.500000 0.309124 0.790377 Se\n0.000000 0.178582 0.520211 Se\n0.000000 0.821418 0.479789 Se\n0.500000 0.678582 0.979789 Se\n0.500000 0.321418 0.020211 Se\n",
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{
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"structure_string": "Cs4 Ti4 Co4 O4 F20\n1.0\n-4.216381 5.964754 0.000575\n-0.000319 0.000497 7.485620\n8.738739 6.181037 0.000265\nCs Ti Co O F\n4 4 4 4 20\ndirect\n0.999889 0.750081 0.378694 Cs\n0.499955 0.249828 0.878632 Cs\n0.000112 0.249915 0.621305 Cs\n0.500047 0.750170 0.121367 Cs\n0.249945 0.249176 0.249957 Ti\n0.750054 0.750828 0.750046 Ti\n0.750048 0.249206 0.249960 Ti\n0.249950 0.750796 0.750041 Ti\n0.500001 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000001 0.000000 Co\n0.499999 0.000001 0.500001 Co\n0.999951 0.249656 0.288743 O\n0.499992 0.750235 0.788689 O\n0.000051 0.750345 0.711259 O\n0.500008 0.249765 0.211309 O\n0.999859 0.749689 0.071522 F\n0.499659 0.250404 0.571726 F\n0.000143 0.250313 0.928478 F\n0.500340 0.749595 0.428273 F\n0.291105 0.435949 0.375236 F\n0.788746 0.937132 0.876448 F\n0.708669 0.436155 0.375183 F\n0.211270 0.937112 0.876444 F\n0.288998 0.062637 0.376251 F\n0.791232 0.563956 0.875243 F\n0.288977 0.937281 0.623710 F\n0.791313 0.436142 0.124803 F\n0.711020 0.062720 0.376289 F\n0.208683 0.563860 0.875196 F\n0.711002 0.937363 0.623749 F\n0.208768 0.436043 0.124756 F\n0.291335 0.563843 0.624818 F\n0.788731 0.062887 0.123557 F\n0.708894 0.564051 0.624765 F\n0.211254 0.062866 0.123552 F\n",
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{
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"elements": [
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"formula_full": "B40 O60",
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"updated_at": "2021-11-28T01:38:28.348000Z",
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{
"id": "mp-1200053",
"created_at": "2022-09-04T14:48:06.430651Z",
"structure_string": "Lu4 Fe20 P12\n1.0\n3.631262 0.000000 0.000000\n0.000000 10.214778 0.000000\n0.000000 0.000000 11.747617\nLu Fe P\n4 20 12\ndirect\n0.250000 0.581582 0.705200 Lu\n0.250000 0.918418 0.205200 Lu\n0.750000 0.418418 0.294800 Lu\n0.750000 0.081582 0.794800 Lu\n0.250000 0.707582 0.987447 Fe\n0.250000 0.792418 0.487447 Fe\n0.750000 0.292418 0.012553 Fe\n0.750000 0.207582 0.512553 Fe\n0.250000 0.405889 0.489698 Fe\n0.250000 0.094111 0.989698 Fe\n0.750000 0.594111 0.510302 Fe\n0.750000 0.905889 0.010302 Fe\n0.250000 0.219458 0.176709 Fe\n0.250000 0.280542 0.676709 Fe\n0.750000 0.780542 0.823291 Fe\n0.750000 0.719458 0.323291 Fe\n0.250000 0.877453 0.699950 Fe\n0.250000 0.622547 0.199950 Fe\n0.750000 0.122547 0.300050 Fe\n0.750000 0.377453 0.800050 Fe\n0.250000 0.463302 0.932925 Fe\n0.250000 0.036698 0.432925 Fe\n0.750000 0.536698 0.067075 Fe\n0.750000 0.963302 0.567075 Fe\n0.250000 0.421075 0.113766 P\n0.250000 0.078925 0.613766 P\n0.750000 0.578925 0.886234 P\n0.750000 0.921075 0.386234 P\n0.250000 0.264981 0.870635 P\n0.250000 0.235019 0.370635 P\n0.750000 0.735019 0.129365 P\n0.750000 0.764981 0.629365 P\n0.250000 0.600052 0.393731 P\n0.250000 0.899948 0.893731 P\n0.750000 0.399948 0.606269 P\n0.750000 0.100052 0.106269 P\n",
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]
}