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{
"id": "mp-1104527",
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{
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"spacegroup": 63
},
{
"id": "mp-567968",
"created_at": "2022-09-04T14:41:13.540167Z",
"structure_string": "Mn44 Si76\n1.0\n5.490935 0.000000 0.000000\n0.000000 5.490935 0.000000\n0.000000 0.000000 47.722190\nMn Si\n44 76\ndirect\n0.000000 0.500000 0.523626 Mn\n0.000000 0.500000 0.430231 Mn\n0.500000 0.000000 0.111519 Mn\n0.500000 0.500000 0.952560 Mn\n0.500000 0.000000 0.569769 Mn\n0.500000 0.500000 0.770797 Mn\n0.500000 0.000000 0.476374 Mn\n0.000000 0.500000 0.706275 Mn\n0.500000 0.000000 0.930231 Mn\n0.000000 0.500000 0.611519 Mn\n0.500000 0.000000 0.293725 Mn\n0.500000 0.000000 0.841120 Mn\n0.000000 0.000000 0.910036 Mn\n0.000000 0.000000 0.452560 Mn\n0.000000 0.500000 0.793725 Mn\n0.000000 0.000000 0.270797 Mn\n0.500000 0.500000 0.589964 Mn\n0.500000 0.500000 0.047440 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.729203 Mn\n0.500000 0.500000 0.135125 Mn\n0.500000 0.000000 0.388481 Mn\n0.500000 0.500000 0.864875 Mn\n0.500000 0.500000 0.229203 Mn\n0.000000 0.500000 0.341120 Mn\n0.000000 0.500000 0.069769 Mn\n0.500000 0.000000 0.023626 Mn\n0.000000 0.500000 0.158880 Mn\n0.500000 0.500000 0.410036 Mn\n0.500000 0.000000 0.658880 Mn\n0.000000 0.000000 0.089964 Mn\n0.500000 0.000000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.635125 Mn\n0.000000 0.000000 0.817604 Mn\n0.000000 0.500000 0.976374 Mn\n0.500000 0.500000 0.682396 Mn\n0.500000 0.000000 0.206275 Mn\n0.000000 0.500000 0.250000 Mn\n0.000000 0.000000 0.547440 Mn\n0.500000 0.500000 0.317604 Mn\n0.000000 0.000000 0.364875 Mn\n0.000000 0.500000 0.888481 Mn\n0.000000 0.000000 0.182396 Mn\n0.319831 0.342203 0.274892 Si\n0.346951 0.258774 0.171680 Si\n0.347058 0.717724 0.356789 Si\n0.153649 0.704281 0.300559 Si\n0.665531 0.165531 0.250000 Si\n0.659867 0.825862 0.433276 Si\n0.174138 0.659867 0.566724 Si\n0.653064 0.229416 0.985746 Si\n0.195474 0.154092 0.958517 Si\n0.282276 0.347058 0.643211 Si\n0.652942 0.282276 0.356789 Si\n0.782276 0.152942 0.143211 Si\n0.270584 0.846936 0.514254 Si\n0.840133 0.325862 0.933276 Si\n0.258774 0.653049 0.828320 Si\n0.344380 0.811883 0.616730 Si\n0.152942 0.217724 0.856789 Si\n0.325862 0.159867 0.066724 Si\n0.345908 0.304526 0.541483 Si\n0.846351 0.295719 0.300559 Si\n0.758774 0.846951 0.328320 Si\n0.845908 0.195474 0.041483 Si\n0.311883 0.844380 0.883270 Si\n0.741226 0.346951 0.828320 Si\n0.337828 0.330322 0.908301 Si\n0.165531 0.334469 0.750000 Si\n0.654092 0.695474 0.541483 Si\n0.295719 0.153649 0.699441 Si\n0.704281 0.846351 0.699441 Si\n0.229416 0.346936 0.014254 Si\n0.795719 0.346351 0.199441 Si\n0.847058 0.782276 0.856789 Si\n0.217724 0.847058 0.143211 Si\n0.830322 0.837828 0.591699 Si\n0.330322 0.662172 0.091699 Si\n0.804526 0.845908 0.958517 Si\n0.717724 0.652942 0.643211 Si\n0.770584 0.653064 0.014254 Si\n0.162172 0.830322 0.408301 Si\n0.837828 0.169678 0.408301 Si\n0.653649 0.795719 0.800559 Si\n0.169678 0.162172 0.591699 Si\n0.674138 0.840133 0.066724 Si\n0.729416 0.153064 0.514254 Si\n0.346351 0.204281 0.800559 Si\n0.844380 0.688117 0.116730 Si\n0.655620 0.188117 0.616730 Si\n0.688117 0.155620 0.883270 Si\n0.304526 0.654092 0.458517 Si\n0.188117 0.344380 0.383270 Si\n0.153049 0.758774 0.671680 Si\n0.346936 0.770584 0.985746 Si\n0.180169 0.842203 0.774892 Si\n0.842203 0.819831 0.225108 Si\n0.819831 0.157797 0.774892 Si\n0.846936 0.729416 0.485746 Si\n0.811883 0.655620 0.383270 Si\n0.825862 0.340133 0.566724 Si\n0.680169 0.657797 0.274892 Si\n0.204281 0.653649 0.199441 Si\n0.241226 0.153049 0.328320 Si\n0.695474 0.345908 0.458517 Si\n0.669678 0.337828 0.091699 Si\n0.340133 0.174138 0.433276 Si\n0.155620 0.311883 0.116730 Si\n0.846951 0.241226 0.671680 Si\n0.834469 0.665531 0.750000 Si\n0.653049 0.741226 0.171680 Si\n0.157797 0.180169 0.225108 Si\n0.334469 0.834469 0.250000 Si\n0.662172 0.669678 0.908301 Si\n0.342203 0.680169 0.725108 Si\n0.159867 0.674138 0.933276 Si\n0.153064 0.270584 0.485746 Si\n0.657797 0.319831 0.725108 Si\n0.154092 0.804526 0.041483 Si\n",
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"formula_full": "Mn44 Si76",
"formula_reduced": "Mn11Si19",
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{
"id": "mp-8308",
"created_at": "2022-09-04T14:41:13.542723Z",
"structure_string": "Ca3 Ni7 B2\n1.0\n7.244837 -2.567028 0.000000\n7.244837 2.567028 0.000000\n6.335274 0.000000 4.352194\nCa Ni B\n3 7 2\ndirect\n0.644846 0.644846 0.644846 Ca\n0.355154 0.355154 0.355154 Ca\n0.500000 0.500000 0.500000 Ca\n0.571959 0.061144 0.061144 Ni\n0.061144 0.061144 0.571959 Ni\n0.061144 0.571959 0.061144 Ni\n0.938856 0.428041 0.938856 Ni\n0.938856 0.938856 0.428041 Ni\n0.428041 0.938856 0.938856 Ni\n0.000000 0.000000 0.000000 Ni\n0.830937 0.830937 0.830937 B\n0.169063 0.169063 0.169063 B\n",
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{
"id": "mp-17734",
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"structure_string": "Sr4 Ho8 Cu4 O20\n1.0\n5.620607 0.000000 0.000000\n0.000000 7.149075 0.000000\n0.000000 0.000000 12.044686\nSr Ho Cu O\n4 8 4 20\ndirect\n0.750000 0.079034 0.088219 Sr\n0.750000 0.420966 0.588219 Sr\n0.250000 0.579034 0.411781 Sr\n0.250000 0.920966 0.911781 Sr\n0.250000 0.394777 0.073310 Ho\n0.750000 0.613275 0.213525 Ho\n0.750000 0.886725 0.713525 Ho\n0.250000 0.113275 0.286475 Ho\n0.750000 0.605223 0.926690 Ho\n0.750000 0.894777 0.426690 Ho\n0.250000 0.105223 0.573310 Ho\n0.250000 0.386725 0.786475 Ho\n0.250000 0.779567 0.162616 Cu\n0.750000 0.220433 0.837384 Cu\n0.750000 0.279567 0.337384 Cu\n0.250000 0.720433 0.662616 Cu\n0.250000 0.424247 0.594421 O\n0.750000 0.575753 0.405579 O\n0.750000 0.924247 0.905579 O\n0.250000 0.075753 0.094421 O\n0.004803 0.850327 0.275686 O\n0.504803 0.149673 0.724314 O\n0.995197 0.350327 0.224314 O\n0.495197 0.649673 0.775686 O\n0.995197 0.149673 0.724314 O\n0.495197 0.850327 0.275686 O\n0.004803 0.649673 0.775686 O\n0.504803 0.350327 0.224314 O\n0.493385 0.663389 0.066958 O\n0.993385 0.336611 0.933042 O\n0.506615 0.163389 0.433042 O\n0.006615 0.836611 0.566958 O\n0.993385 0.163389 0.433042 O\n0.493385 0.836611 0.566958 O\n0.006615 0.663389 0.066958 O\n0.506615 0.336611 0.933042 O\n",
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{
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"structure_string": "Na12 Al4 Te12\n1.0\n7.835413 0.000000 0.000000\n0.000000 8.128633 0.000000\n0.000000 8.054943 14.193687\nNa Al Te\n12 4 12\ndirect\n0.020084 0.946317 0.278648 Na\n0.520084 0.053683 0.221352 Na\n0.979916 0.053683 0.721352 Na\n0.479916 0.946317 0.778648 Na\n0.002542 0.723414 0.103982 Na\n0.502542 0.276586 0.396018 Na\n0.997458 0.276586 0.896018 Na\n0.497458 0.723414 0.603982 Na\n0.000872 0.317423 0.398330 Na\n0.500872 0.682577 0.101670 Na\n0.999128 0.682577 0.601670 Na\n0.499128 0.317423 0.898330 Na\n0.640538 0.664573 0.418142 Al\n0.140538 0.335427 0.081858 Al\n0.359462 0.335427 0.581858 Al\n0.859462 0.664573 0.918142 Al\n0.797216 0.342535 0.074849 Te\n0.297216 0.657465 0.425151 Te\n0.202784 0.657465 0.925151 Te\n0.702784 0.342535 0.574849 Te\n0.243925 0.344411 0.231207 Te\n0.743925 0.655589 0.268793 Te\n0.756075 0.655589 0.768793 Te\n0.256075 0.344411 0.731207 Te\n0.759291 0.954994 0.426284 Te\n0.259291 0.045006 0.073716 Te\n0.240709 0.045006 0.573716 Te\n0.740709 0.954994 0.926284 Te\n",
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{
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"created_at": "2022-09-04T14:41:21.581627Z",
"structure_string": "Mg2 N4 O16\n1.0\n6.247727 0.000000 0.000000\n0.000000 5.441039 0.000000\n0.000000 0.250450 8.365026\nMg N O\n2 4 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.833069 0.756874 0.800304 N\n0.333069 0.243126 0.699696 N\n0.166931 0.243126 0.199696 N\n0.666931 0.756874 0.300304 N\n0.856536 0.974178 0.734947 O\n0.356536 0.025822 0.765053 O\n0.143464 0.025822 0.265053 O\n0.643464 0.974178 0.234947 O\n0.923313 0.577971 0.742985 O\n0.423313 0.422029 0.757015 O\n0.076687 0.422029 0.257015 O\n0.576687 0.577971 0.242985 O\n0.716705 0.735458 0.924361 O\n0.216705 0.264542 0.575639 O\n0.283295 0.264542 0.075639 O\n0.783295 0.735458 0.424361 O\n0.239098 0.754190 0.032500 O\n0.739098 0.245810 0.467500 O\n0.760902 0.245810 0.967500 O\n0.260902 0.754190 0.532500 O\n",
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{
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"structure_string": "U4 Cu4 As6 O2\n1.0\n3.908724 0.000000 0.000000\n0.000000 3.908724 0.000000\n0.000000 0.000000 17.982605\nU Cu As O\n4 4 6 2\ndirect\n0.500000 0.000000 0.625750 U\n0.500000 0.000000 0.070212 U\n0.000000 0.500000 0.929788 U\n0.000000 0.500000 0.374250 U\n0.000000 0.000000 0.768938 Cu\n0.500000 0.500000 0.768938 Cu\n0.000000 0.000000 0.231062 Cu\n0.500000 0.500000 0.231062 Cu\n0.000000 0.500000 0.148586 As\n0.000000 0.500000 0.676998 As\n0.500000 0.000000 0.323002 As\n0.500000 0.000000 0.851414 As\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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