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{
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"results": [
{
"id": "mp-775217",
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"structure_string": "Co1 Sb3 P6 O24\n1.0\n7.721032 -4.280337 0.000000\n7.721032 4.280337 0.000000\n5.348126 0.000000 7.023758\nCo Sb P O\n1 3 6 24\ndirect\n0.144083 0.144083 0.144083 Co\n0.856863 0.856863 0.856863 Sb\n0.643526 0.643526 0.643526 Sb\n0.356712 0.356712 0.356712 Sb\n0.529712 0.964883 0.247918 P\n0.247918 0.529712 0.964883 P\n0.964883 0.247918 0.529712 P\n0.040300 0.758306 0.454409 P\n0.758306 0.454409 0.040300 P\n0.454409 0.040300 0.758306 P\n0.485285 0.867929 0.724486 O\n0.867929 0.724486 0.485285 O\n0.719494 0.940322 0.076657 O\n0.724486 0.485285 0.867929 O\n0.559282 0.781392 0.423492 O\n0.361399 0.989946 0.223076 O\n0.076657 0.719494 0.940322 O\n0.423492 0.559282 0.781392 O\n0.781392 0.423492 0.559282 O\n0.014907 0.770809 0.636504 O\n0.060695 0.929913 0.278226 O\n0.770809 0.636504 0.014907 O\n0.223076 0.361399 0.989946 O\n0.940322 0.076657 0.719494 O\n0.989946 0.223076 0.361399 O\n0.217914 0.574247 0.443105 O\n0.574247 0.443105 0.217914 O\n0.929913 0.278226 0.060695 O\n0.636504 0.014907 0.770809 O\n0.443105 0.217914 0.574247 O\n0.274991 0.516441 0.132774 O\n0.278226 0.060695 0.929913 O\n0.132774 0.274991 0.516441 O\n0.516441 0.132774 0.274991 O\n",
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"updated_at": "2021-11-28T01:37:14.359000Z",
"spacegroup": 146
},
{
"id": "mp-1317",
"created_at": "2022-09-04T14:44:24.000088Z",
"structure_string": "Co4 Sb12\n1.0\n-4.557613 4.557613 4.557613\n4.557613 -4.557613 4.557613\n4.557613 4.557613 -4.557613\nCo Sb\n4 12\ndirect\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.159520 0.333342 0.492862 Sb\n0.666658 0.826178 0.159520 Sb\n0.173822 0.840480 0.333342 Sb\n0.666658 0.507138 0.840480 Sb\n0.826178 0.159520 0.666658 Sb\n0.333342 0.173822 0.840480 Sb\n0.507138 0.840480 0.666658 Sb\n0.492862 0.159520 0.333342 Sb\n0.333342 0.492862 0.159520 Sb\n0.159520 0.666658 0.826178 Sb\n0.840480 0.333342 0.173822 Sb\n0.840480 0.666658 0.507138 Sb\n",
"nsites": 16,
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"elements": [
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"formula_full": "Co4 Sb12",
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"updated_at": "2021-11-28T01:36:35.068000Z",
"spacegroup": 204
},
{
"id": "mp-562774",
"created_at": "2022-09-04T14:47:23.421151Z",
"structure_string": "Co2 Sb4 S4 O8 F24\n1.0\n5.201592 0.000325 -0.138940\n-2.236396 15.733562 -1.178238\n0.034773 0.108172 8.779329\nCo Sb S O F\n2 4 4 8 24\ndirect\n0.500000 0.750000 0.500000 Co\n0.499999 0.250000 0.500000 Co\n0.968560 0.131144 0.735319 Sb\n0.968759 0.630799 0.735457 Sb\n0.031440 0.368856 0.264681 Sb\n0.031241 0.869201 0.264543 Sb\n0.500804 0.398954 0.785567 S\n0.500036 0.899442 0.786437 S\n0.499195 0.101046 0.214433 S\n0.499964 0.600557 0.213562 S\n0.594416 0.153975 0.353322 O\n0.596486 0.653604 0.352126 O\n0.405585 0.346025 0.646679 O\n0.403514 0.846396 0.647874 O\n0.752690 0.388472 0.845714 O\n0.751976 0.888662 0.846237 O\n0.247312 0.111527 0.154287 O\n0.248023 0.611338 0.153762 O\n0.159084 0.224802 0.851423 F\n0.158927 0.724511 0.851632 F\n0.840915 0.275198 0.148577 F\n0.841074 0.775489 0.148368 F\n0.835041 0.328954 0.444007 F\n0.834984 0.829134 0.443857 F\n0.164958 0.171046 0.555993 F\n0.165017 0.670866 0.556142 F\n0.221741 0.059376 0.773814 F\n0.221714 0.559044 0.774068 F\n0.778260 0.440624 0.226186 F\n0.778286 0.940956 0.225932 F\n0.226252 0.455830 0.395778 F\n0.226204 0.956337 0.395174 F\n0.773748 0.044170 0.604222 F\n0.773796 0.543663 0.604826 F\n0.717675 0.206854 0.675409 F\n0.716809 0.706201 0.674819 F\n0.282324 0.293146 0.324591 F\n0.283193 0.793800 0.325181 F\n0.236270 0.400727 0.095767 F\n0.235903 0.901075 0.095590 F\n0.763730 0.099273 0.904233 F\n0.764097 0.598925 0.904410 F\n",
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"elements": [
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"formula_full": "Co2 Sb4 S4 O8 F24",
"formula_reduced": "CoSb2S2(OF3)4",
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"updated_at": "2021-11-28T01:38:04.775000Z",
"spacegroup": 2
},
{
"id": "mp-1042609",
"created_at": "2022-09-04T14:47:31.288602Z",
"structure_string": "Co8 Sb16 O56\n1.0\n14.926142 0.000000 0.000000\n0.000000 7.719410 0.000000\n0.000000 3.812806 9.919516\nCo Sb O\n8 16 56\ndirect\n0.655539 0.351726 0.074608 Co\n0.155539 0.648274 0.425392 Co\n0.344461 0.648274 0.925392 Co\n0.844461 0.351726 0.574608 Co\n0.778835 0.004910 0.269571 Co\n0.278835 0.995090 0.230429 Co\n0.221165 0.995090 0.730429 Co\n0.721165 0.004910 0.769571 Co\n0.837135 0.184549 0.947717 Sb\n0.000193 0.505197 0.748907 Sb\n0.499807 0.505197 0.248907 Sb\n0.999807 0.494803 0.251093 Sb\n0.709972 0.514722 0.752753 Sb\n0.209972 0.485278 0.747247 Sb\n0.290028 0.485278 0.247247 Sb\n0.790028 0.514722 0.252753 Sb\n0.500193 0.494803 0.751093 Sb\n0.163505 0.149555 0.424516 Sb\n0.663505 0.850445 0.075484 Sb\n0.836495 0.850445 0.575484 Sb\n0.337135 0.815451 0.552283 Sb\n0.662865 0.184549 0.447717 Sb\n0.162865 0.815451 0.052283 Sb\n0.336495 0.149555 0.924516 Sb\n0.957386 0.257175 0.897359 O\n0.457386 0.742825 0.602641 O\n0.042614 0.742825 0.102641 O\n0.542614 0.257175 0.397359 O\n0.786709 0.947970 0.942506 O\n0.286709 0.052030 0.557494 O\n0.213291 0.052030 0.057494 O\n0.713291 0.947970 0.442506 O\n0.863114 0.089162 0.139796 O\n0.363114 0.910838 0.360204 O\n0.136886 0.910838 0.860204 O\n0.636886 0.089162 0.639796 O\n0.298084 0.405918 0.905124 O\n0.798084 0.594082 0.594876 O\n0.701916 0.594082 0.094876 O\n0.201916 0.405918 0.405124 O\n0.372224 0.055622 0.118505 O\n0.872224 0.944378 0.381495 O\n0.627776 0.944378 0.881495 O\n0.127776 0.055622 0.618505 O\n0.320736 0.923078 0.880428 O\n0.450465 0.635439 0.858532 O\n0.820736 0.076922 0.619572 O\n0.179264 0.923078 0.380428 O\n0.423454 0.358275 0.673218 O\n0.923454 0.641725 0.826782 O\n0.576546 0.641725 0.326782 O\n0.076546 0.358275 0.173218 O\n0.463281 0.223263 0.889695 O\n0.963281 0.776737 0.610305 O\n0.536719 0.776737 0.110305 O\n0.036719 0.223263 0.389695 O\n0.892091 0.545048 0.129970 O\n0.392091 0.454952 0.370030 O\n0.107909 0.454952 0.870030 O\n0.607909 0.545048 0.629970 O\n0.733469 0.268180 0.256743 O\n0.233469 0.731820 0.243257 O\n0.266531 0.731820 0.743257 O\n0.766531 0.268180 0.756743 O\n0.731704 0.404193 0.443811 O\n0.231704 0.595807 0.056189 O\n0.268296 0.595807 0.556189 O\n0.768296 0.404193 0.943811 O\n0.752964 0.770545 0.238940 O\n0.252964 0.229455 0.261060 O\n0.247036 0.229455 0.761060 O\n0.747036 0.770545 0.738940 O\n0.892963 0.452242 0.381194 O\n0.392963 0.547758 0.118806 O\n0.107037 0.547758 0.618806 O\n0.607037 0.452242 0.881194 O\n0.049535 0.635439 0.358532 O\n0.549535 0.364561 0.141468 O\n0.950465 0.364561 0.641468 O\n0.679264 0.076922 0.119572 O\n",
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"density": 4.817126108011977,
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"volume": 1142.9366504081513,
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"formula_full": "Co8 Sb16 O56",
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"energy": -510.1196859,
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"spacegroup": 14
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{
"id": "mp-1227250",
"created_at": "2022-09-04T14:47:13.812751Z",
"structure_string": "Co2 Sb4 N12 F18\n1.0\n8.091338 0.000000 -1.875837\n0.000000 7.957564 0.000000\n-2.814739 0.000000 12.246587\nCo Sb N F\n2 4 12 18\ndirect\n0.451617 0.515330 0.426846 Co\n0.548383 0.015330 0.073154 Co\n0.058661 0.395636 0.833372 Sb\n0.941339 0.895636 0.666628 Sb\n0.907675 0.537893 0.184770 Sb\n0.092325 0.037893 0.315230 Sb\n0.742202 0.282064 0.393932 N\n0.257798 0.782064 0.106068 N\n0.269994 0.711262 0.584544 N\n0.730006 0.211262 0.915456 N\n0.441061 0.386976 0.520831 N\n0.558939 0.886976 0.979169 N\n0.579723 0.673375 0.484416 N\n0.420277 0.173375 0.015584 N\n0.613731 0.164166 0.834961 N\n0.386269 0.664166 0.665039 N\n0.379403 0.857575 0.122663 N\n0.620597 0.357575 0.377337 N\n0.814271 0.444735 0.746248 F\n0.185729 0.944735 0.753752 F\n0.250723 0.571041 0.299204 F\n0.749277 0.071041 0.200796 F\n0.085128 0.327010 0.697288 F\n0.914872 0.827010 0.802712 F\n0.915306 0.621663 0.331157 F\n0.084694 0.121663 0.168843 F\n0.064116 0.167169 0.875687 F\n0.935884 0.667169 0.624313 F\n0.902702 0.771516 0.133857 F\n0.097298 0.271516 0.366143 F\n0.237552 0.558545 0.861110 F\n0.762448 0.058545 0.638890 F\n0.647130 0.519032 0.120352 F\n0.352870 0.019032 0.379648 F\n0.946665 0.963512 0.523731 F\n0.053335 0.463512 0.976269 F\n",
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"formula_full": "Co2 Sb4 N12 F18",
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"spacegroup": 4
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{
"id": "mp-550763",
"created_at": "2022-09-04T14:42:28.788783Z",
"structure_string": "Co4 Sb8 Br8 O12\n1.0\n1.046670 8.490971 0.357977\n-5.238417 0.010614 7.503078\n5.270805 0.050514 8.836509\nCo Sb Br O\n4 8 8 12\ndirect\n0.508826 0.617154 0.095016 Co\n0.491175 0.882849 0.404982 Co\n0.508822 0.117151 0.595023 Co\n0.491179 0.382852 0.904974 Co\n0.684189 0.029657 0.935021 Sb\n0.684175 0.529653 0.435014 Sb\n0.315830 0.970349 0.064985 Sb\n0.315814 0.470345 0.564978 Sb\n0.693595 0.791170 0.731700 Sb\n0.693589 0.291133 0.231723 Sb\n0.306410 0.208868 0.268274 Sb\n0.306405 0.708831 0.768295 Sb\n0.773926 0.930156 0.287520 Br\n0.773897 0.430216 0.787485 Br\n0.226103 0.069781 0.712517 Br\n0.226077 0.569833 0.212488 Br\n0.858042 0.232020 0.468198 Br\n0.858034 0.732015 0.968203 Br\n0.141952 0.767978 0.531797 Br\n0.141947 0.267977 0.031804 Br\n0.483612 0.651171 0.435231 O\n0.483627 0.151173 0.935240 O\n0.516377 0.348829 0.564764 O\n0.516392 0.848831 0.064774 O\n0.368445 0.008623 0.238247 O\n0.368390 0.508560 0.738273 O\n0.631610 0.991440 0.761726 O\n0.631557 0.491378 0.261751 O\n0.513889 0.147632 0.384088 O\n0.513890 0.647687 0.884073 O\n0.486109 0.852315 0.615923 O\n0.486111 0.352369 0.115909 O\n",
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"formula_full": "Co4 Sb8 Br8 O12",
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{
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"structure_string": "Co4 Sb8\n1.0\n6.412727 0.000000 0.000000\n0.000000 6.536385 0.000000\n0.000000 3.006997 5.851548\nCo Sb\n4 8\ndirect\n0.000745 0.270549 0.717342 Co\n0.500745 0.729451 0.782658 Co\n0.999255 0.729451 0.282658 Co\n0.499255 0.270549 0.217342 Co\n0.644381 0.348576 0.833618 Sb\n0.144381 0.651424 0.666382 Sb\n0.355619 0.651424 0.166382 Sb\n0.855619 0.348576 0.333618 Sb\n0.359701 0.147008 0.629806 Sb\n0.859701 0.852992 0.870194 Sb\n0.640299 0.852992 0.370194 Sb\n0.140299 0.147008 0.129806 Sb\n",
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},
{
"id": "mp-9835",
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"structure_string": "Co2 Sb4\n1.0\n3.398553 0.000000 0.000000\n0.000000 5.625834 0.000000\n0.000000 0.000000 6.422020\nCo Sb\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.201054 0.356842 Sb\n0.000000 0.798946 0.643158 Sb\n0.500000 0.701054 0.143158 Sb\n0.500000 0.298946 0.856842 Sb\n",
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