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{
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{
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"structure_string": "Li8 Fe2 Te2 W4 O24\n1.0\n-0.002839 2.946884 -4.270637\n1.220442 12.501039 8.580574\n5.505728 -0.003487 0.001139\nLi Fe Te W O\n8 2 2 4 24\ndirect\n0.003809 0.634080 0.585666 Li\n0.010130 0.135416 0.598933 Li\n0.495645 0.904512 0.067923 Li\n0.495047 0.399753 0.039965 Li\n0.992725 0.402772 0.601055 Li\n0.997685 0.903601 0.591963 Li\n0.500404 0.112516 0.981437 Li\n0.507021 0.600693 0.932623 Li\n0.005602 0.498542 0.016458 Fe\n0.997235 0.004273 0.013425 Fe\n0.495104 0.751679 0.502804 Te\n0.503356 0.254514 0.517715 Te\n0.991104 0.251420 0.014902 W\n0.993313 0.749806 0.009497 W\n0.512832 0.002555 0.501268 W\n0.497602 0.501120 0.497781 W\n0.296423 0.712198 0.795560 O\n0.309085 0.212484 0.816039 O\n0.121567 0.864217 0.983156 O\n0.127777 0.370615 0.987639 O\n0.322628 0.020182 0.191723 O\n0.327985 0.529672 0.192555 O\n0.189563 0.714938 0.308580 O\n0.136324 0.209815 0.306119 O\n0.796323 0.962464 0.306652 O\n0.803487 0.473022 0.321135 O\n0.365644 0.868846 0.484709 O\n0.363498 0.384299 0.507620 O\n0.638905 0.117091 0.497489 O\n0.626893 0.632241 0.507345 O\n0.204728 0.021009 0.682354 O\n0.209392 0.532511 0.693171 O\n0.832621 0.283087 0.668402 O\n0.803301 0.781728 0.689836 O\n0.696604 0.964053 0.793656 O\n0.697640 0.477869 0.797826 O\n0.876710 0.128994 0.962746 O\n0.886953 0.630878 0.990972 O\n0.681826 0.290230 0.134388 O\n0.685513 0.781507 0.191712 O\n",
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"formula_full": "Li8 Fe2 Te2 W4 O24",
"formula_reduced": "Li4FeTe(WO6)2",
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{
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{
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"structure_string": "Sr2 Ca2 Ti2 Mn2 O12\n1.0\n-2.747365 -2.747332 -0.000023\n-5.474390 5.474333 -0.000023\n-0.000049 -0.000016 -7.735730\nSr Ca Ti Mn O\n2 2 2 2 12\ndirect\n0.500006 0.251171 0.250016 Sr\n0.500007 0.251170 0.749991 Sr\n0.499999 0.735902 0.249982 Ca\n0.500000 0.735902 0.750018 Ca\n0.000002 0.990686 0.000001 Ti\n0.999999 0.990737 0.500002 Ti\n0.999996 0.499413 0.500002 Mn\n0.000002 0.499375 0.000003 Mn\n0.999997 0.257014 0.999998 O\n0.999999 0.257029 0.500004 O\n0.000004 0.746734 0.999996 O\n0.999999 0.746767 0.499999 O\n0.500001 0.997704 0.999995 O\n0.500000 0.997761 0.499999 O\n0.999994 0.997671 0.249999 O\n0.999995 0.997671 0.749999 O\n0.500004 0.513613 0.999995 O\n0.500001 0.513603 0.500000 O\n0.999996 0.510037 0.249997 O\n0.999996 0.510039 0.750005 O\n",
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{
"id": "mp-556155",
"created_at": "2022-09-04T14:44:12.321888Z",
"structure_string": "Zn20 S20\n1.0\n1.926852 -3.337405 0.000000\n1.926852 3.337405 0.000000\n0.000000 0.000000 62.987478\nZn S\n20 20\ndirect\n0.000000 0.000000 0.400014 Zn\n0.666667 0.333333 0.449998 Zn\n0.333333 0.666667 0.650000 Zn\n0.333333 0.666667 0.949998 Zn\n0.333333 0.666667 0.200003 Zn\n0.000000 0.000000 0.599997 Zn\n0.666667 0.333333 0.550014 Zn\n0.666667 0.333333 0.900003 Zn\n0.000000 0.000000 0.299998 Zn\n0.333333 0.666667 0.350000 Zn\n0.666667 0.333333 0.750003 Zn\n0.666667 0.333333 0.100003 Zn\n0.333333 0.666667 0.800003 Zn\n0.000000 0.000000 0.999999 Zn\n0.333333 0.666667 0.050014 Zn\n0.000000 0.000000 0.850003 Zn\n0.000000 0.000000 0.150003 Zn\n0.000000 0.000000 0.700014 Zn\n0.666667 0.333333 0.250003 Zn\n0.333333 0.666667 0.500000 Zn\n0.666667 0.333333 0.587495 S\n0.000000 0.000000 0.887497 S\n0.000000 0.000000 0.037528 S\n0.333333 0.666667 0.987466 S\n0.333333 0.666667 0.087495 S\n0.666667 0.333333 0.287496 S\n0.000000 0.000000 0.337467 S\n0.000000 0.000000 0.637466 S\n0.000000 0.000000 0.737495 S\n0.333333 0.666667 0.237498 S\n0.666667 0.333333 0.487466 S\n0.666667 0.333333 0.937497 S\n0.666667 0.333333 0.787497 S\n0.333333 0.666667 0.537528 S\n0.333333 0.666667 0.687528 S\n0.333333 0.666667 0.837496 S\n0.000000 0.000000 0.187496 S\n0.333333 0.666667 0.387528 S\n0.666667 0.333333 0.137496 S\n0.000000 0.000000 0.437495 S\n",
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{
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"structure_string": "Nd14 Al14 Co12\n1.0\n13.850959 0.000000 0.000000\n0.000000 13.850959 0.000000\n0.000000 0.000000 4.175154\nNd Al Co\n14 14 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Nd\n0.868493 0.368493 0.500000 Nd\n0.368493 0.131507 0.500000 Nd\n0.631507 0.868493 0.500000 Nd\n0.131507 0.631507 0.500000 Nd\n0.047686 0.261476 0.000000 Nd\n0.261476 0.952314 0.000000 Nd\n0.738524 0.047686 0.000000 Nd\n0.952314 0.738524 0.000000 Nd\n0.452314 0.761476 0.000000 Nd\n0.547686 0.238524 0.000000 Nd\n0.761476 0.547686 0.000000 Nd\n0.238524 0.452314 0.000000 Nd\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.714435 0.214435 0.500000 Al\n0.214435 0.285565 0.500000 Al\n0.785565 0.714435 0.500000 Al\n0.285565 0.785565 0.500000 Al\n0.138929 0.098129 0.500000 Al\n0.098129 0.861071 0.500000 Al\n0.901871 0.138929 0.500000 Al\n0.861071 0.901871 0.500000 Al\n0.361071 0.598129 0.500000 Al\n0.638929 0.401871 0.500000 Al\n0.598129 0.638929 0.500000 Al\n0.401871 0.361071 0.500000 Al\n0.573432 0.073432 0.500000 Co\n0.073432 0.426568 0.500000 Co\n0.926568 0.573432 0.500000 Co\n0.426568 0.926568 0.500000 Co\n0.335343 0.288483 0.000000 Co\n0.288483 0.664657 0.000000 Co\n0.711517 0.335343 0.000000 Co\n0.664657 0.711517 0.000000 Co\n0.164657 0.788483 0.000000 Co\n0.835343 0.211517 0.000000 Co\n0.788483 0.835343 0.000000 Co\n0.211517 0.164657 0.000000 Co\n",
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{
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"structure_string": "Sr1 Ca7 Mn7 Cr1 O23\n1.0\n7.648315 0.000807 0.002582\n0.000807 7.648315 0.002582\n0.002623 0.002623 7.707227\nSr Ca Mn Cr O\n1 7 7 1 23\ndirect\n0.256269 0.256269 0.250652 Sr\n0.266125 0.266125 0.741880 Ca\n0.260454 0.742201 0.252719 Ca\n0.265813 0.736468 0.740979 Ca\n0.742201 0.260454 0.252719 Ca\n0.736468 0.265813 0.740979 Ca\n0.742014 0.742014 0.252758 Ca\n0.734293 0.734293 0.740924 Ca\n0.999326 0.999326 0.505487 Mn\n0.999257 0.502036 0.001672 Mn\n0.999275 0.501431 0.496300 Mn\n0.502036 0.999257 0.001672 Mn\n0.501431 0.999275 0.496300 Mn\n0.501050 0.501050 0.999389 Mn\n0.500739 0.500739 0.498092 Mn\n0.998674 0.998674 0.987088 Cr\n0.995731 0.995731 0.758375 O\n0.995887 0.497877 0.249972 O\n0.998119 0.503521 0.750339 O\n0.497877 0.995887 0.249972 O\n0.503521 0.998119 0.750339 O\n0.503069 0.503069 0.249628 O\n0.501173 0.501173 0.748897 O\n0.238704 0.996792 0.026613 O\n0.247720 0.995724 0.482271 O\n0.249491 0.503288 0.991322 O\n0.250165 0.502798 0.508963 O\n0.760528 0.998870 0.035315 O\n0.752811 0.999133 0.471690 O\n0.750596 0.501369 0.993360 O\n0.749668 0.501540 0.506900 O\n0.996792 0.238704 0.026613 O\n0.995724 0.247720 0.482271 O\n0.998870 0.760528 0.035315 O\n0.999133 0.752811 0.471690 O\n0.503288 0.249491 0.991322 O\n0.502798 0.250165 0.508963 O\n0.501369 0.750596 0.993360 O\n0.501540 0.749668 0.506900 O\n",
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{
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{
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{
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