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{
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"results": [
{
"id": "mp-1216516",
"created_at": "2022-09-04T14:48:16.713582Z",
"structure_string": "V6 Zn4 Ga2 O22\n1.0\n6.569334 0.000000 0.000000\n-1.360503 6.797053 0.000000\n-2.087416 -1.797983 9.633235\nV Zn Ga O\n6 4 2 22\ndirect\n0.173133 0.485988 0.289536 V\n0.826867 0.514012 0.710464 V\n0.802565 0.925552 0.383780 V\n0.197435 0.074448 0.616220 V\n0.745213 0.823078 0.024529 V\n0.254787 0.176922 0.975471 V\n0.283095 0.004138 0.278891 Zn\n0.716905 0.995862 0.721109 Zn\n0.674542 0.376399 0.335390 Zn\n0.325458 0.623601 0.664610 Zn\n0.189767 0.675385 0.004348 Ga\n0.810233 0.324615 0.995652 Ga\n0.886406 0.994071 0.578034 O\n0.113594 0.005929 0.421966 O\n0.194565 0.570442 0.457278 O\n0.805435 0.429558 0.542722 O\n0.242965 0.699705 0.213792 O\n0.757035 0.300295 0.786208 O\n0.690549 0.682569 0.357235 O\n0.309451 0.317431 0.642765 O\n0.607311 0.064382 0.349383 O\n0.392689 0.935618 0.650617 O\n0.481360 0.713551 0.996957 O\n0.518640 0.286449 0.003043 O\n0.345157 0.317822 0.278559 O\n0.654843 0.682178 0.721441 O\n0.215943 0.969349 0.060516 O\n0.784057 0.030651 0.939484 O\n0.850962 0.924747 0.195122 O\n0.149038 0.075253 0.804878 O\n0.876108 0.622933 0.986784 O\n0.123892 0.377067 0.013216 O\n0.108986 0.627770 0.788829 O\n0.891014 0.372230 0.211171 O\n",
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{
"id": "mp-779552",
"created_at": "2022-09-04T14:48:23.728404Z",
"structure_string": "Zn8 Te16 O40\n1.0\n8.653339 0.000000 0.000000\n0.000000 9.112506 0.000000\n0.000000 0.000000 12.359378\nZn Te O\n8 16 40\ndirect\n0.518365 0.014786 0.123010 Zn\n0.518365 0.014786 0.376990 Zn\n0.018365 0.485214 0.623010 Zn\n0.018365 0.485214 0.876990 Zn\n0.981635 0.514786 0.123010 Zn\n0.981635 0.514786 0.376990 Zn\n0.481635 0.985214 0.876990 Zn\n0.481635 0.985214 0.623010 Zn\n0.198569 0.104756 0.250000 Te\n0.838554 0.149468 0.514648 Te\n0.838554 0.149468 0.985352 Te\n0.182222 0.166684 0.750000 Te\n0.682222 0.333316 0.250000 Te\n0.338554 0.350532 0.014648 Te\n0.338554 0.350532 0.485352 Te\n0.698569 0.395244 0.750000 Te\n0.301431 0.604756 0.250000 Te\n0.661446 0.649468 0.514648 Te\n0.661446 0.649468 0.985352 Te\n0.317778 0.666684 0.750000 Te\n0.817778 0.833316 0.250000 Te\n0.161446 0.850532 0.014648 Te\n0.161446 0.850532 0.485352 Te\n0.801431 0.895244 0.750000 Te\n0.906676 0.008327 0.627733 O\n0.906676 0.008327 0.872267 O\n0.633481 0.031483 0.750000 O\n0.620407 0.118038 0.512231 O\n0.620407 0.118038 0.987769 O\n0.657984 0.123661 0.250000 O\n0.322291 0.156138 0.630548 O\n0.322291 0.156138 0.869452 O\n0.349709 0.191461 0.114182 O\n0.349709 0.191461 0.385818 O\n0.849709 0.308539 0.614182 O\n0.849709 0.308539 0.885818 O\n0.822291 0.343862 0.130548 O\n0.822291 0.343862 0.369452 O\n0.157984 0.376339 0.750000 O\n0.120407 0.381962 0.012231 O\n0.120407 0.381962 0.487769 O\n0.133481 0.468517 0.250000 O\n0.406676 0.491673 0.372267 O\n0.406676 0.491673 0.127733 O\n0.593324 0.508327 0.872267 O\n0.593324 0.508327 0.627733 O\n0.866519 0.531483 0.750000 O\n0.879593 0.618038 0.512231 O\n0.879593 0.618038 0.987769 O\n0.842016 0.623661 0.250000 O\n0.177709 0.656138 0.869452 O\n0.177709 0.656138 0.630548 O\n0.150291 0.691461 0.114182 O\n0.150291 0.691461 0.385818 O\n0.650291 0.808539 0.885818 O\n0.650291 0.808539 0.614182 O\n0.677709 0.843862 0.130548 O\n0.677709 0.843862 0.369452 O\n0.342016 0.876339 0.750000 O\n0.379593 0.881962 0.012231 O\n0.379593 0.881962 0.487769 O\n0.366519 0.968517 0.250000 O\n0.093324 0.991673 0.127733 O\n0.093324 0.991673 0.372267 O\n",
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"formula_full": "Zn8 Te16 O40",
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"updated_at": "2021-11-28T01:39:32.387000Z",
"spacegroup": 62
},
{
"id": "mp-1224183",
"created_at": "2022-09-04T14:40:00.395164Z",
"structure_string": "K4 Ni7 As6 O24\n1.0\n7.364415 5.562590 0.000000\n-7.364415 5.562590 0.000000\n0.000000 1.704968 6.642142\nK Ni As O\n4 7 6 24\ndirect\n0.271618 0.500381 0.520017 K\n0.500381 0.271618 0.520017 K\n0.697370 0.697370 0.533489 K\n0.062653 0.062653 0.480106 K\n0.000582 0.000582 0.998348 Ni\n0.976307 0.363870 0.176305 Ni\n0.363870 0.976307 0.176305 Ni\n0.019270 0.638381 0.825275 Ni\n0.638381 0.019270 0.825275 Ni\n0.624715 0.376651 0.999666 Ni\n0.376651 0.624715 0.999666 Ni\n0.693682 0.693682 0.029908 As\n0.305095 0.305095 0.978366 As\n0.718325 0.098428 0.272294 As\n0.098428 0.718325 0.272294 As\n0.283889 0.896229 0.725790 As\n0.896229 0.283889 0.725790 As\n0.700710 0.271809 0.774501 O\n0.271809 0.700710 0.774501 O\n0.295078 0.729036 0.223409 O\n0.729036 0.295078 0.223409 O\n0.991395 0.335298 0.481679 O\n0.335298 0.991395 0.481679 O\n0.010301 0.663660 0.518769 O\n0.663660 0.010301 0.518769 O\n0.783099 0.593556 0.880223 O\n0.593556 0.783099 0.880223 O\n0.215278 0.406858 0.124338 O\n0.406858 0.215278 0.124338 O\n0.191985 0.191985 0.850991 O\n0.811899 0.811899 0.144548 O\n0.913709 0.122725 0.194016 O\n0.122725 0.913709 0.194016 O\n0.088466 0.876663 0.803769 O\n0.876663 0.088466 0.803769 O\n0.453267 0.453267 0.814455 O\n0.544502 0.544502 0.188428 O\n0.996247 0.406553 0.861154 O\n0.406553 0.996247 0.861154 O\n0.004022 0.594838 0.134726 O\n0.594838 0.004022 0.134726 O\n",
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"elements": [
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"formula_full": "K4 Ni7 As6 O24",
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"energy": -261.39024417,
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},
{
"id": "mp-504457",
"created_at": "2022-09-04T14:41:59.693132Z",
"structure_string": "Ba2 Ti12 O26\n1.0\n7.571155 0.000000 0.000000\n3.728416 6.651192 0.000000\n2.680505 1.972131 9.435494\nBa Ti O\n2 12 26\ndirect\n0.676219 0.031160 0.131731 Ba\n0.323781 0.968840 0.868269 Ba\n0.207457 0.460352 0.018615 Ti\n0.130780 0.275305 0.496218 Ti\n0.920883 0.914926 0.768972 Ti\n0.318068 0.627864 0.248513 Ti\n0.792543 0.539648 0.981385 Ti\n0.247672 0.491395 0.719974 Ti\n0.407021 0.845656 0.496148 Ti\n0.681932 0.372136 0.751487 Ti\n0.752328 0.508605 0.280026 Ti\n0.079117 0.085074 0.231028 Ti\n0.869220 0.724695 0.503782 Ti\n0.592979 0.154344 0.503852 Ti\n0.168776 0.011284 0.612014 O\n0.562806 0.674093 0.141041 O\n0.982954 0.276921 0.365941 O\n0.118902 0.554587 0.391139 O\n0.367310 0.459736 0.127682 O\n0.154083 0.708920 0.861172 O\n0.831224 0.988716 0.387986 O\n0.127449 0.869603 0.147773 O\n0.259851 0.171584 0.109050 O\n0.017046 0.723079 0.634059 O\n0.723353 0.150522 0.639373 O\n0.632690 0.540264 0.872318 O\n0.690877 0.710901 0.376362 O\n0.944153 0.582240 0.116742 O\n0.276647 0.849478 0.360627 O\n0.602137 0.873990 0.599402 O\n0.740149 0.828416 0.890950 O\n0.309123 0.289099 0.623638 O\n0.452292 0.586561 0.625894 O\n0.397863 0.126010 0.400598 O\n0.881098 0.445413 0.608861 O\n0.872551 0.130397 0.852227 O\n0.845917 0.291080 0.138828 O\n0.055847 0.417760 0.883258 O\n0.547708 0.413439 0.374106 O\n0.437194 0.325907 0.858959 O\n",
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{
"id": "mp-1228195",
"created_at": "2022-09-04T14:44:57.564285Z",
"structure_string": "Ba7 Nb4 Mo1 O20\n1.0\n2.986797 -5.173284 0.000000\n2.986797 5.173284 0.000000\n0.000000 0.000000 16.831191\nBa Nb Mo O\n7 4 1 20\ndirect\n0.333333 0.666667 0.823309 Ba\n0.666667 0.333333 0.177629 Ba\n0.000000 0.000000 0.992247 Ba\n0.333333 0.666667 0.573902 Ba\n0.666667 0.333333 0.426539 Ba\n0.000000 0.000000 0.288195 Ba\n0.000000 0.000000 0.721112 Ba\n0.666667 0.333333 0.905352 Nb\n0.333333 0.666667 0.349813 Nb\n0.666667 0.333333 0.650830 Nb\n0.000000 0.000000 0.501413 Nb\n0.333333 0.666667 0.096002 Mo\n0.662529 0.831265 0.130454 O\n0.168735 0.831265 0.130454 O\n0.168735 0.337471 0.130454 O\n0.325138 0.162569 0.868686 O\n0.837431 0.162569 0.868686 O\n0.837431 0.674862 0.868686 O\n0.494098 0.505902 0.294836 O\n0.494098 0.988195 0.294836 O\n0.011805 0.505902 0.294836 O\n0.505165 0.494835 0.703578 O\n0.505165 0.010329 0.703578 O\n0.989671 0.494835 0.703578 O\n0.674772 0.837386 0.430525 O\n0.162614 0.837386 0.430525 O\n0.162614 0.325228 0.430525 O\n0.325674 0.162837 0.567717 O\n0.837163 0.162837 0.567717 O\n0.837163 0.674326 0.567717 O\n0.333333 0.666667 0.989336 O\n0.666667 0.333333 0.016944 O\n",
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{
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"structure_string": "Nb3 Fe1 P6 O24\n1.0\n7.835056 -4.392361 0.000000\n7.835056 4.392361 0.000000\n5.372683 0.000000 7.198279\nNb Fe P O\n3 1 6 24\ndirect\n0.859364 0.859364 0.859364 Nb\n0.641445 0.641445 0.641445 Nb\n0.360144 0.360144 0.360144 Nb\n0.141907 0.141907 0.141907 Fe\n0.529183 0.967394 0.249368 P\n0.249368 0.529183 0.967394 P\n0.967394 0.249368 0.529183 P\n0.034832 0.757123 0.459830 P\n0.757123 0.459830 0.034832 P\n0.459830 0.034832 0.757123 P\n0.499249 0.866990 0.716586 O\n0.866990 0.716586 0.499249 O\n0.711529 0.937288 0.080116 O\n0.716586 0.499249 0.866990 O\n0.565697 0.789388 0.419736 O\n0.365571 0.991756 0.221581 O\n0.080116 0.711529 0.937288 O\n0.419736 0.565697 0.789388 O\n0.789388 0.419736 0.565697 O\n0.003375 0.779613 0.635418 O\n0.060944 0.921793 0.285815 O\n0.779613 0.635418 0.003375 O\n0.221581 0.365571 0.991756 O\n0.937288 0.080116 0.711529 O\n0.991756 0.221581 0.365571 O\n0.210011 0.578912 0.439065 O\n0.578912 0.439065 0.210011 O\n0.921793 0.285815 0.060944 O\n0.635418 0.003375 0.779613 O\n0.439065 0.210011 0.578912 O\n0.280938 0.503630 0.134406 O\n0.285815 0.060944 0.921793 O\n0.134406 0.280938 0.503630 O\n0.503630 0.134406 0.280938 O\n",
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{
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{
"id": "mp-753783",
"created_at": "2022-09-04T14:39:26.262739Z",
"structure_string": "Li10 In2 O8\n1.0\n4.815043 0.000000 0.000000\n0.000000 6.634320 0.000000\n0.000000 0.000000 6.957392\nLi In O\n10 2 8\ndirect\n0.249257 0.762041 0.806316 Li\n0.249257 0.237959 0.806316 Li\n0.765763 0.500000 0.000000 Li\n0.249257 0.762041 0.193684 Li\n0.249257 0.237959 0.193684 Li\n0.750743 0.737959 0.306316 Li\n0.750743 0.262041 0.306316 Li\n0.234237 0.000000 0.500000 Li\n0.750743 0.262041 0.693684 Li\n0.750743 0.737959 0.693684 Li\n0.771672 0.000000 0.000000 In\n0.228328 0.500000 0.500000 In\n0.008607 0.000000 0.747995 O\n0.535596 0.741741 0.000000 O\n0.535596 0.258259 0.000000 O\n0.008607 0.000000 0.252005 O\n0.991393 0.500000 0.247994 O\n0.464404 0.758259 0.500000 O\n0.464404 0.241741 0.500000 O\n0.991393 0.500000 0.752005 O\n",
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