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{
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"results": [
{
"id": "mp-1341839",
"created_at": "2022-09-04T14:48:26.784060Z",
"structure_string": "Co2 Si4 O12\n1.0\n4.176096 4.662682 0.000000\n-4.176096 4.662682 0.000000\n0.000000 1.755631 4.985518\nCo Si O\n2 4 12\ndirect\n0.911380 0.088620 0.750000 Co\n0.088620 0.911380 0.250000 Co\n0.390719 0.208335 0.762591 Si\n0.791665 0.609281 0.737409 Si\n0.208335 0.390719 0.262591 Si\n0.609281 0.791665 0.237409 Si\n0.369839 0.346874 0.988134 O\n0.653126 0.630161 0.511866 O\n0.630161 0.653126 0.011866 O\n0.346874 0.369839 0.488134 O\n0.635811 0.088858 0.693547 O\n0.911142 0.364189 0.806453 O\n0.364189 0.911142 0.306453 O\n0.088858 0.635811 0.193547 O\n0.023388 0.194157 0.366773 O\n0.805843 0.976612 0.133227 O\n0.194157 0.023388 0.866773 O\n0.976612 0.805843 0.633227 O\n",
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},
{
"id": "mp-1340191",
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"structure_string": "Co2 Si4 O12\n1.0\n4.292188 4.745655 0.000000\n-4.292188 4.745655 0.000000\n0.000000 1.825239 5.013855\nCo Si O\n2 4 12\ndirect\n0.899572 0.100428 0.500000 Co\n0.093256 0.906744 0.000000 Co\n0.790339 0.618311 0.489140 Si\n0.213386 0.388156 0.002567 Si\n0.381689 0.209661 0.510860 Si\n0.611844 0.786614 0.997433 Si\n0.361767 0.350127 0.218326 O\n0.909565 0.378009 0.525694 O\n0.186192 0.031671 0.627912 O\n0.633146 0.643036 0.288131 O\n0.090435 0.625203 0.968459 O\n0.814754 0.958812 0.893608 O\n0.621991 0.090435 0.474306 O\n0.968329 0.813808 0.372088 O\n0.356964 0.366854 0.711869 O\n0.649873 0.638233 0.781674 O\n0.041188 0.185246 0.106392 O\n0.374797 0.909565 0.031541 O\n",
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"elements": [
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"volume": 204.25686616720947,
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"formula_full": "Co2 Si4 O12",
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"updated_at": "2021-11-28T01:38:31.986000Z",
"spacegroup": 5
},
{
"id": "mp-699575",
"created_at": "2022-09-04T14:39:05.662655Z",
"structure_string": "Co16 Si16 O48\n1.0\n5.264575 0.000000 0.000000\n0.000000 9.044314 0.000000\n0.000000 0.000000 18.463858\nCo Si O\n16 16 48\ndirect\n0.624866 0.153328 0.376077 Co\n0.863923 0.009458 0.623057 Co\n0.636077 0.009458 0.123057 Co\n0.136077 0.490542 0.123057 Co\n0.136077 0.990542 0.376943 Co\n0.375134 0.346672 0.876077 Co\n0.375134 0.846672 0.623923 Co\n0.363923 0.990542 0.876943 Co\n0.863923 0.509458 0.876943 Co\n0.624866 0.653328 0.123923 Co\n0.875134 0.653328 0.623923 Co\n0.636077 0.509458 0.376943 Co\n0.875134 0.153328 0.876077 Co\n0.124866 0.346672 0.376077 Co\n0.363923 0.490542 0.623057 Co\n0.124866 0.846672 0.123923 Co\n0.554406 0.159827 0.727916 Si\n0.290769 0.664765 0.972569 Si\n0.709231 0.335235 0.027431 Si\n0.054406 0.840173 0.772084 Si\n0.790769 0.335235 0.527431 Si\n0.554406 0.659827 0.772084 Si\n0.945594 0.159827 0.227916 Si\n0.209231 0.164765 0.027431 Si\n0.445594 0.340173 0.227916 Si\n0.054406 0.340173 0.727916 Si\n0.790769 0.835235 0.972569 Si\n0.709231 0.835235 0.472569 Si\n0.290769 0.164765 0.527431 Si\n0.945594 0.659827 0.272084 Si\n0.445594 0.840173 0.272084 Si\n0.209231 0.664765 0.472569 Si\n0.789309 0.838564 0.061535 O\n0.042281 0.839360 0.683441 O\n0.908576 0.199334 0.052570 O\n0.042281 0.339360 0.816559 O\n0.542281 0.160640 0.816559 O\n0.710691 0.838564 0.561535 O\n0.826547 0.730782 0.802577 O\n0.091424 0.800666 0.947430 O\n0.457719 0.339360 0.316559 O\n0.591424 0.199334 0.552570 O\n0.940754 0.498601 0.310356 O\n0.691186 0.482245 0.568363 O\n0.408576 0.800666 0.447430 O\n0.289309 0.661436 0.061535 O\n0.673453 0.230782 0.197423 O\n0.173453 0.269218 0.197423 O\n0.440754 0.001399 0.310356 O\n0.308814 0.517755 0.431637 O\n0.559246 0.498601 0.810356 O\n0.673453 0.730782 0.302577 O\n0.808814 0.482245 0.068363 O\n0.940754 0.998601 0.189644 O\n0.591424 0.699334 0.947430 O\n0.908576 0.699334 0.447430 O\n0.957719 0.660640 0.183441 O\n0.710691 0.338564 0.938465 O\n0.808814 0.982245 0.431637 O\n0.059246 0.501399 0.689644 O\n0.559246 0.998601 0.689644 O\n0.173453 0.769218 0.302577 O\n0.210691 0.161436 0.938465 O\n0.542281 0.660640 0.683441 O\n0.440754 0.501399 0.189644 O\n0.408576 0.300666 0.052570 O\n0.289309 0.161436 0.438465 O\n0.826547 0.230782 0.697423 O\n0.191186 0.017755 0.568363 O\n0.059246 0.001399 0.810356 O\n0.457719 0.839360 0.183441 O\n0.326547 0.769218 0.802577 O\n0.789309 0.338564 0.438465 O\n0.326547 0.269218 0.697423 O\n0.691186 0.982245 0.931637 O\n0.191186 0.517755 0.931637 O\n0.957719 0.160640 0.316559 O\n0.091424 0.300666 0.552570 O\n0.210691 0.661436 0.561535 O\n0.308814 0.017755 0.068363 O\n",
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"elements": [
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"Si",
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"chemical_system": "Co-O-Si",
"density": 4.080334769363951,
"density_atomic": 0.09099731680810585,
"volume": 879.1468013139676,
"volume_molar": 6.617932232770581,
"formula_full": "Co16 Si16 O48",
"formula_reduced": "CoSiO3",
"formula_anonymous": "ABC3",
"energy": -634.48306538,
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"updated_at": "2021-11-28T01:34:45.040000Z",
"spacegroup": 61
},
{
"id": "mp-1102115",
"created_at": "2022-09-04T14:43:19.337713Z",
"structure_string": "Co4 Si4 Ni4\n1.0\n4.998624 0.000000 0.000000\n0.000000 3.696365 0.000000\n0.000000 0.000000 7.060644\nCo Si Ni\n4 4 4\ndirect\n0.037504 0.250000 0.289765 Co\n0.537504 0.250000 0.210235 Co\n0.962496 0.750000 0.710235 Co\n0.462496 0.750000 0.789765 Co\n0.207500 0.250000 0.609417 Si\n0.707500 0.250000 0.890583 Si\n0.792500 0.750000 0.390583 Si\n0.292500 0.750000 0.109417 Si\n0.170702 0.250000 0.935255 Ni\n0.670702 0.250000 0.564745 Ni\n0.829298 0.750000 0.064745 Ni\n0.329298 0.750000 0.435255 Ni\n",
"nsites": 12,
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"elements": [
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"Si",
"Ni"
],
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"density": 7.418823807719151,
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"volume": 130.45767496021395,
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"formula_full": "Co4 Si4 Ni4",
"formula_reduced": "CoSiNi",
"formula_anonymous": "ABC",
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{
"id": "mp-1193831",
"created_at": "2022-09-04T14:41:27.698616Z",
"structure_string": "Co2 Si2 N10 Cl2 F12\n1.0\n6.772365 0.000000 0.000000\n0.000000 7.381283 0.000000\n0.000000 1.826377 10.536248\nCo Si N Cl F\n2 2 10 2 12\ndirect\n0.750000 0.851906 0.926322 Co\n0.250000 0.148094 0.073678 Co\n0.750000 0.664105 0.704559 Si\n0.250000 0.335895 0.295441 Si\n0.750000 0.739829 0.379759 N\n0.250000 0.260171 0.620241 N\n0.925697 0.742173 0.379413 N\n0.425697 0.257827 0.620587 N\n0.074303 0.257827 0.620587 N\n0.574303 0.742173 0.379413 N\n0.832520 0.572800 0.106568 N\n0.332520 0.427200 0.893432 N\n0.167480 0.427200 0.893432 N\n0.667480 0.572800 0.106568 N\n0.750000 0.083835 0.021687 Cl\n0.250000 0.916165 0.978313 Cl\n0.750000 0.472719 0.810453 F\n0.250000 0.527281 0.189547 F\n0.750000 0.876844 0.623502 F\n0.250000 0.123156 0.376498 F\n0.929388 0.755781 0.816381 F\n0.429388 0.244219 0.183619 F\n0.070612 0.244219 0.183619 F\n0.570612 0.755781 0.816381 F\n0.937576 0.598000 0.621637 F\n0.437576 0.402000 0.378363 F\n0.062424 0.402000 0.378363 F\n0.562424 0.598000 0.621637 F\n",
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],
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"formula_full": "Co2 Si2 N10 Cl2 F12",
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"spacegroup": 11
},
{
"id": "mp-1147704",
"created_at": "2022-09-04T14:40:36.411443Z",
"structure_string": "Co2 Si2 N4\n1.0\n3.928076 0.000000 -1.785259\n-0.811377 3.843364 -1.785259\n-0.028676 -0.035361 5.150975\nCo Si N\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.835800 0.875000 0.250000 N\n0.625000 0.164200 0.750000 N\n0.414200 0.375000 0.250000 N\n0.125000 0.585800 0.750000 N\n",
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"formula_full": "Co2 Si2 N4",
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},
{
"id": "mp-1226108",
"created_at": "2022-09-04T14:42:56.384388Z",
"structure_string": "Co4 Si4 Mo4\n1.0\n2.424995 -4.108460 0.000000\n2.424995 4.108460 0.000000\n0.000000 0.000000 7.452396\nCo Si Mo\n4 4 4\ndirect\n0.002052 0.997948 0.262359 Co\n0.002052 0.997948 0.737641 Co\n0.161889 0.352096 0.000000 Co\n0.647904 0.838111 0.000000 Co\n0.160450 0.839550 0.000000 Si\n0.834298 0.658989 0.500000 Si\n0.341011 0.165702 0.500000 Si\n0.832325 0.167675 0.500000 Si\n0.338422 0.661578 0.683163 Mo\n0.670578 0.329422 0.812704 Mo\n0.670578 0.329422 0.187296 Mo\n0.338422 0.661578 0.316837 Mo\n",
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],
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"density": 8.18363615626116,
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"volume": 148.49636754156728,
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"formula_full": "Co4 Si4 Mo4",
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{
"id": "mp-1226454",
"created_at": "2022-09-04T14:46:26.184279Z",
"structure_string": "Co2 Si2 H30 N12 O4 F12\n1.0\n6.632275 0.007914 -1.374029\n0.007001 8.173278 -0.014946\n-0.155515 -0.018533 10.471425\nCo Si H N O F\n2 2 30 12 4 12\ndirect\n0.260359 0.250397 0.283449 Co\n0.739641 0.749603 0.716551 Co\n0.165877 0.251809 0.808776 Si\n0.834123 0.748191 0.191224 Si\n0.352553 0.394708 0.080448 H\n0.646796 0.896052 0.918278 H\n0.647447 0.605292 0.919552 H\n0.353204 0.103948 0.081722 H\n0.219076 0.401105 0.499790 H\n0.777188 0.901667 0.499586 H\n0.780924 0.598895 0.500210 H\n0.222812 0.098333 0.500414 H\n0.192816 0.543891 0.383415 H\n0.804902 0.044554 0.616272 H\n0.807184 0.456109 0.616585 H\n0.195098 0.955446 0.383728 H\n0.004102 0.423824 0.389106 H\n0.993424 0.924961 0.608250 H\n0.995898 0.576176 0.610894 H\n0.006576 0.075039 0.391750 H\n0.490925 0.484752 0.212627 H\n0.508944 0.986600 0.786608 H\n0.509075 0.515247 0.787373 H\n0.491056 0.013400 0.213392 H\n0.247772 0.530842 0.160152 H\n0.752745 0.030719 0.839114 H\n0.752228 0.469158 0.839848 H\n0.247255 0.969281 0.160886 H\n0.000238 0.203243 0.069887 H\n0.999762 0.796757 0.930113 H\n0.936447 0.370848 0.141888 H\n0.063553 0.629152 0.858112 H\n0.883048 0.185132 0.191680 H\n0.116952 0.814868 0.808320 H\n0.350668 0.436876 0.172686 N\n0.648930 0.937663 0.826180 N\n0.649332 0.563124 0.827314 N\n0.351070 0.062337 0.173820 N\n0.988715 0.252427 0.158497 N\n0.011285 0.747573 0.841503 N\n0.158499 0.425346 0.402954 N\n0.839289 0.925916 0.596198 N\n0.841501 0.574654 0.597046 N\n0.160711 0.074084 0.403802 N\n0.527707 0.250484 0.401510 N\n0.472293 0.749516 0.598490 N\n0.680989 0.250209 0.354838 O\n0.319011 0.749791 0.645162 O\n0.536036 0.250497 0.521311 O\n0.463964 0.749503 0.478689 O\n0.927933 0.250816 0.709394 F\n0.072067 0.749184 0.290606 F\n0.243397 0.394918 0.709476 F\n0.761003 0.904453 0.282422 F\n0.756603 0.605082 0.290524 F\n0.238997 0.095547 0.717578 F\n0.089829 0.408441 0.899110 F\n0.916069 0.889685 0.091891 F\n0.910171 0.591559 0.100890 F\n0.083931 0.110315 0.908109 F\n0.398847 0.252311 0.912875 F\n0.601153 0.747689 0.087125 F\n",
"nsites": 62,
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"elements": [
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"F"
],
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"volume": 565.8803059355598,
"volume_molar": 5.49646912202549,
"formula_full": "Co2 Si2 H30 N12 O4 F12",
"formula_reduced": "CoSiH15N6(OF3)2",
"formula_anonymous": "ABC2D6E6F15",
"energy": -346.51803778,
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"spacegroup": 2
},
{
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{
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{
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{
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}