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{
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"results": [
{
"id": "mp-1221899",
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"structure_string": "Mn2 Fe1 Sb1 O6\n1.0\n-2.624711 -4.546134 0.000000\n5.249422 0.000000 0.000000\n2.624711 1.515378 4.841456\nMn Fe Sb O\n2 1 1 6\ndirect\n0.863290 0.136710 0.589869 Mn\n0.136066 0.863934 0.408199 Mn\n0.657325 0.342675 0.971974 Fe\n0.343242 0.656758 0.029727 Sb\n0.454635 0.278351 0.229488 O\n0.053204 0.545365 0.229488 O\n0.721649 0.946796 0.229488 O\n0.547928 0.715199 0.770589 O\n0.937861 0.452072 0.770589 O\n0.284801 0.062139 0.770589 O\n",
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{
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"structure_string": "Li1 Co1 Pt3 O6\n1.0\n3.033957 0.000000 0.000000\n0.000000 6.258864 -1.406102\n0.000000 0.840827 6.697913\nLi Co Pt O\n1 1 3 6\ndirect\n0.500000 0.260403 0.762654 Li\n0.000000 0.476348 0.458919 Co\n0.000000 0.999848 0.019151 Pt\n0.500001 0.516213 0.036869 Pt\n0.500001 0.973069 0.499709 Pt\n0.000000 0.048052 0.716597 O\n0.000000 0.919813 0.301358 O\n0.000000 0.689360 0.944961 O\n0.000000 0.324205 0.110124 O\n0.500001 0.289012 0.488464 O\n0.500001 0.659926 0.504942 O\n",
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],
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"volume": 130.774514688734,
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"formula_full": "Li1 Co1 Pt3 O6",
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{
"id": "mp-727535",
"created_at": "2022-09-04T14:45:17.516167Z",
"structure_string": "Na4 Ce4 C16 O44\n1.0\n7.672147 0.000000 0.000000\n0.000000 9.852236 0.000000\n0.000000 3.782826 13.292790\nNa Ce C O\n4 4 16 44\ndirect\n0.265187 0.384846 0.735189 Na\n0.265187 0.115154 0.264811 Na\n0.734813 0.615154 0.264811 Na\n0.734813 0.884846 0.735189 Na\n0.231514 0.734027 0.737117 Ce\n0.231514 0.765973 0.262883 Ce\n0.768486 0.265973 0.262883 Ce\n0.768486 0.234027 0.737117 Ce\n0.209416 0.667821 0.513548 C\n0.209416 0.832179 0.486452 C\n0.790584 0.332179 0.486452 C\n0.790584 0.167821 0.513548 C\n0.839630 0.572410 0.731869 C\n0.839630 0.927590 0.268131 C\n0.160370 0.427590 0.268131 C\n0.160370 0.072410 0.731869 C\n0.636757 0.565373 0.726958 C\n0.636757 0.934627 0.273042 C\n0.363243 0.434627 0.273042 C\n0.363243 0.065373 0.726958 C\n0.417006 0.750000 0.000000 C\n0.582994 0.250000 0.000000 C\n0.016506 0.750000 0.000000 C\n0.983494 0.250000 0.000000 C\n0.216543 0.603662 0.606604 O\n0.216543 0.896338 0.393396 O\n0.783457 0.396338 0.393396 O\n0.783457 0.103662 0.606604 O\n0.206544 0.613096 0.441167 O\n0.206544 0.886904 0.558833 O\n0.793456 0.386904 0.558833 O\n0.793456 0.113096 0.441167 O\n0.911084 0.692560 0.719416 O\n0.911084 0.807440 0.280584 O\n0.088916 0.307440 0.280584 O\n0.088916 0.192560 0.719416 O\n0.917570 0.455038 0.747203 O\n0.917570 0.044962 0.252797 O\n0.082430 0.544962 0.252797 O\n0.082430 0.955038 0.747203 O\n0.575403 0.445232 0.728598 O\n0.575403 0.054768 0.271402 O\n0.424597 0.554768 0.271402 O\n0.424597 0.945232 0.728598 O\n0.550770 0.677157 0.720747 O\n0.550770 0.822843 0.279253 O\n0.449230 0.322843 0.279253 O\n0.449230 0.177157 0.720747 O\n0.416136 0.753069 0.914514 O\n0.416136 0.746931 0.085486 O\n0.583864 0.246931 0.085486 O\n0.583864 0.253069 0.914514 O\n0.025406 0.729964 0.919989 O\n0.025406 0.770036 0.080011 O\n0.974594 0.270036 0.080011 O\n0.974594 0.229964 0.919989 O\n0.240580 0.553482 0.832137 O\n0.240580 0.946518 0.167862 O\n0.759420 0.446518 0.167862 O\n0.759420 0.053482 0.832137 O\n0.365967 0.312525 0.499802 O\n0.365967 0.187475 0.500198 O\n0.634033 0.687475 0.500198 O\n0.634033 0.812525 0.499802 O\n0.743353 0.578882 0.020194 O\n0.743353 0.921118 0.979806 O\n0.256647 0.421118 0.979806 O\n0.256647 0.078882 0.020194 O\n",
"nsites": 68,
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"elements": [
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],
"chemical_system": "C-Ce-Na-O",
"density": 2.5592427288249167,
"density_atomic": 0.06767699192150382,
"volume": 1004.7727901215057,
"volume_molar": 8.898357608720067,
"formula_full": "Na4 Ce4 C16 O44",
"formula_reduced": "NaCeC4O11",
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"energy": -490.79392487,
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"updated_at": "2021-11-28T01:37:02.761000Z",
"spacegroup": 13
},
{
"id": "mp-1304728",
"created_at": "2022-09-04T14:45:21.955586Z",
"structure_string": "Sr12 Ta4 Co4 O28\n1.0\n3.965855 -0.000954 -0.000587\n1.980180 5.899332 10.792636\n1.983898 -9.839597 10.795717\nSr Ta Co O\n12 4 4 28\ndirect\n0.520665 0.098561 0.860252 Sr\n0.519618 0.349269 0.612099 Sr\n0.519632 0.851347 0.110061 Sr\n0.515527 0.603912 0.357219 Sr\n0.308829 0.614313 0.768229 Sr\n0.308733 0.864004 0.519175 Sr\n0.307968 0.365177 0.019221 Sr\n0.307730 0.116443 0.269341 Sr\n0.682985 0.895305 0.738190 Sr\n0.687287 0.149186 0.485579 Sr\n0.683985 0.645416 0.987077 Sr\n0.681083 0.394153 0.242892 Sr\n0.902902 0.621281 0.572777 Ta\n0.901145 0.873907 0.323723 Ta\n0.901760 0.372603 0.824050 Ta\n0.901365 0.123514 0.074203 Ta\n0.108367 0.862520 0.920663 Co\n0.109207 0.114914 0.667127 Co\n0.108377 0.613618 0.169033 Co\n0.103298 0.370365 0.423486 Co\n0.199462 0.751940 0.849816 O\n0.198322 0.997659 0.604656 O\n0.198010 0.507706 0.095552 O\n0.197728 0.251613 0.352340 O\n0.806537 0.742315 0.645128 O\n0.804958 0.992769 0.398399 O\n0.805028 0.494583 0.895739 O\n0.804080 0.245655 0.146581 O\n0.992254 0.508611 0.507293 O\n0.989768 0.765956 0.254464 O\n0.990022 0.260797 0.758778 O\n0.989557 0.011525 0.009025 O\n0.597750 0.878391 0.926252 O\n0.598285 0.123995 0.679331 O\n0.596106 0.632396 0.173448 O\n0.595458 0.379873 0.427342 O\n0.097544 0.001252 0.803552 O\n0.095823 0.249460 0.559311 O\n0.097042 0.756682 0.049260 O\n0.093292 0.511683 0.297107 O\n0.398028 0.627559 0.576648 O\n0.396322 0.879190 0.328459 O\n0.396387 0.379840 0.827522 O\n0.396196 0.129925 0.077913 O\n0.897083 0.503745 0.702362 O\n0.898561 0.752424 0.451591 O\n0.895610 0.255417 0.953495 O\n0.894326 0.007232 0.204235 O\n",
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"elements": [
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],
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"density": 6.0603899358638165,
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"formula_full": "Sr12 Ta4 Co4 O28",
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"spacegroup": 8
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{
"id": "mp-759145",
"created_at": "2022-09-04T14:45:25.236292Z",
"structure_string": "Li12 Co12 Si12 O48\n1.0\n8.025713 0.000000 0.000000\n0.000000 8.653149 0.000000\n0.000000 8.496264 15.113718\nLi Co Si O\n12 12 12 48\ndirect\n0.993275 0.264486 0.940096 Li\n0.008588 0.638541 0.586493 Li\n0.848904 0.004140 0.245822 Li\n0.348904 0.995860 0.254178 Li\n0.508588 0.361459 0.913507 Li\n0.493275 0.735514 0.559904 Li\n0.506725 0.264486 0.440096 Li\n0.491412 0.638541 0.086493 Li\n0.651096 0.004140 0.745822 Li\n0.151096 0.995860 0.754178 Li\n0.991412 0.361459 0.413507 Li\n0.006725 0.735514 0.059904 Li\n0.660442 0.646329 0.404253 Co\n0.832512 0.310983 0.769124 Co\n0.662524 0.029945 0.076154 Co\n0.162524 0.970055 0.423846 Co\n0.332512 0.689017 0.730876 Co\n0.160442 0.353671 0.095747 Co\n0.839558 0.646329 0.904253 Co\n0.667488 0.310983 0.269124 Co\n0.837476 0.029945 0.576154 Co\n0.337476 0.970055 0.923846 Co\n0.167488 0.689017 0.230876 Co\n0.339558 0.353671 0.595747 Co\n0.265090 0.635518 0.409411 Si\n0.219465 0.308363 0.774976 Si\n0.271051 0.041786 0.072580 Si\n0.771051 0.958214 0.427420 Si\n0.719465 0.691637 0.725024 Si\n0.765090 0.364482 0.090589 Si\n0.234910 0.635518 0.909411 Si\n0.280535 0.308363 0.274976 Si\n0.228949 0.041786 0.572580 Si\n0.728949 0.958214 0.927420 Si\n0.780535 0.691637 0.225024 Si\n0.734910 0.364482 0.590589 Si\n0.550769 0.431849 0.604680 O\n0.869281 0.417583 0.645822 O\n0.784852 0.075810 0.974806 O\n0.038663 0.253660 0.826511 O\n0.358984 0.217751 0.855079 O\n0.757492 0.776014 0.291512 O\n0.215023 0.544563 0.514937 O\n0.276574 0.907872 0.180442 O\n0.454690 0.136432 0.037416 O\n0.229774 0.523487 0.710918 O\n0.262275 0.852780 0.368924 O\n0.135293 0.201805 0.046607 O\n0.635293 0.798195 0.453393 O\n0.762275 0.147220 0.131076 O\n0.729774 0.476513 0.789082 O\n0.954690 0.863568 0.462584 O\n0.776574 0.092128 0.319558 O\n0.715023 0.455437 0.985063 O\n0.858984 0.782249 0.644921 O\n0.257492 0.223986 0.208488 O\n0.538663 0.746340 0.673489 O\n0.284852 0.924190 0.525194 O\n0.369281 0.582417 0.854178 O\n0.050769 0.568151 0.895320 O\n0.949231 0.431849 0.104680 O\n0.630719 0.417583 0.145822 O\n0.715148 0.075810 0.474806 O\n0.461337 0.253660 0.326511 O\n0.742508 0.776014 0.791512 O\n0.141016 0.217751 0.355079 O\n0.284977 0.544563 0.014937 O\n0.223426 0.907872 0.680442 O\n0.045310 0.136432 0.537416 O\n0.270226 0.523487 0.210918 O\n0.237725 0.852780 0.868924 O\n0.364707 0.201805 0.546607 O\n0.864707 0.798195 0.953393 O\n0.737725 0.147220 0.631076 O\n0.770226 0.476513 0.289082 O\n0.545310 0.863568 0.962584 O\n0.723426 0.092128 0.819558 O\n0.784977 0.455437 0.485063 O\n0.242508 0.223986 0.708488 O\n0.641016 0.782249 0.144921 O\n0.961337 0.746340 0.173489 O\n0.215148 0.924190 0.025194 O\n0.130719 0.582417 0.354178 O\n0.449231 0.568151 0.395320 O\n",
"nsites": 84,
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"elements": [
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"formula_full": "Li12 Co12 Si12 O48",
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"updated_at": "2021-11-28T01:36:57.896000Z",
"spacegroup": 14
},
{
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"structure_string": "Sc4 H20 S6 O34\n1.0\n6.628375 -0.277509 -0.448111\n1.545865 11.947119 0.051481\n-1.212630 0.113152 11.776890\nSc H S O\n4 20 6 34\ndirect\n0.346324 0.863348 0.296282 Sc\n0.000000 0.500000 0.000000 Sc\n0.653676 0.136652 0.703718 Sc\n0.000000 0.500000 0.500000 Sc\n0.597914 0.150484 0.000425 H\n0.883674 0.714648 0.535950 H\n0.693410 0.897779 0.222730 H\n0.760385 0.388565 0.336746 H\n0.625377 0.982019 0.721387 H\n0.291940 0.117177 0.973024 H\n0.690856 0.729770 0.405688 H\n0.309144 0.270230 0.594312 H\n0.718021 0.722936 0.846431 H\n0.538891 0.095664 0.364015 H\n0.341109 0.325629 0.175064 H\n0.708060 0.882823 0.026976 H\n0.281979 0.277064 0.153569 H\n0.461109 0.904336 0.635985 H\n0.116326 0.285352 0.464050 H\n0.239615 0.611435 0.663254 H\n0.374623 0.017981 0.278613 H\n0.306590 0.102221 0.777270 H\n0.402086 0.849516 0.999575 H\n0.658891 0.674371 0.824936 H\n0.112294 0.778551 0.022366 S\n0.197165 0.820019 0.540926 S\n0.697414 0.545615 0.212860 S\n0.802835 0.179981 0.459074 S\n0.887706 0.221449 0.977634 S\n0.302586 0.454385 0.787140 S\n0.580017 0.909029 0.058066 O\n0.990473 0.157778 0.413082 O\n0.927274 0.847000 0.975186 O\n0.179144 0.795423 0.146122 O\n0.155448 0.831513 0.411861 O\n0.087205 0.657824 0.002091 O\n0.722864 0.402940 0.682264 O\n0.410893 0.210121 0.634791 O\n0.684602 0.285914 0.420497 O\n0.277821 0.535690 0.401632 O\n0.612787 0.847895 0.170460 O\n0.867887 0.532722 0.137335 O\n0.277136 0.597060 0.317736 O\n0.825722 0.460554 0.329822 O\n0.473567 0.516723 0.838654 O\n0.287056 0.801800 0.957583 O\n0.912795 0.342176 0.997909 O\n0.132113 0.467278 0.862665 O\n0.722179 0.464310 0.598368 O\n0.858726 0.649420 0.486968 O\n0.712944 0.198200 0.042417 O\n0.661910 0.081232 0.425848 O\n0.174278 0.539446 0.670178 O\n0.072726 0.153000 0.024814 O\n0.141274 0.350580 0.513032 O\n0.844552 0.168487 0.588139 O\n0.589107 0.789879 0.365209 O\n0.526433 0.483277 0.161346 O\n0.820856 0.204577 0.853878 O\n0.419983 0.090971 0.941934 O\n0.315398 0.714086 0.579503 O\n0.338090 0.918768 0.574152 O\n0.387213 0.152105 0.829540 O\n0.009527 0.842222 0.586918 O\n",
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},
{
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{
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{
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{
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}