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{
"id": "mp-757780",
"created_at": "2022-09-04T14:41:07.873187Z",
"structure_string": "Li24 Co24 P24 O96\n1.0\n4.854863 -8.408869 0.000000\n4.854863 8.408869 0.000000\n0.000000 0.000000 23.021887\nLi Co P O\n24 24 24 96\ndirect\n0.094980 0.820906 0.274860 Li\n0.089325 0.754084 0.919478 Li\n0.128106 0.759552 0.594531 Li\n0.310900 0.668272 0.755555 Li\n0.331728 0.642628 0.088889 Li\n0.357372 0.689100 0.422222 Li\n0.179094 0.274075 0.608194 Li\n0.240448 0.368554 0.927864 Li\n0.245916 0.335241 0.252811 Li\n0.631446 0.871894 0.261198 Li\n0.664759 0.910675 0.586145 Li\n0.274075 0.094980 0.441527 Li\n0.725925 0.905020 0.941527 Li\n0.335241 0.089325 0.086145 Li\n0.368554 0.128106 0.761198 Li\n0.754084 0.664759 0.752811 Li\n0.759552 0.631446 0.427864 Li\n0.820906 0.725925 0.108194 Li\n0.642628 0.310900 0.922222 Li\n0.668272 0.357372 0.588889 Li\n0.689100 0.331728 0.255555 Li\n0.871894 0.240448 0.094531 Li\n0.910675 0.245916 0.419478 Li\n0.905020 0.179094 0.774860 Li\n0.997472 0.011682 0.704464 Co\n0.024469 0.571524 0.045985 Co\n0.062577 0.461621 0.194820 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0.912374 0.454886 P\n0.299497 0.087626 0.954886 P\n0.334596 0.081268 0.636035 P\n0.344349 0.137130 0.305164 P\n0.746672 0.665404 0.302701 P\n0.788129 0.700503 0.621553 P\n0.792781 0.655651 0.971830 P\n0.656156 0.364921 0.126249 P\n0.635079 0.291235 0.459583 P\n0.708765 0.343844 0.792916 P\n0.862870 0.207219 0.638497 P\n0.918732 0.253328 0.969368 P\n0.912374 0.211871 0.288220 P\n0.049096 0.788607 0.081215 O\n0.074934 0.906614 0.474701 O\n0.015130 0.677479 0.841619 O\n0.128653 0.970353 0.930671 O\n0.035822 0.799910 0.189695 O\n0.012649 0.649241 0.525161 O\n0.240288 0.940050 0.807159 O\n0.133082 0.658787 0.301407 O\n0.119308 0.690891 0.741956 O\n0.321293 0.975172 0.583205 O\n0.310800 0.928929 0.139782 O\n0.139754 0.632068 0.136912 O\n0.257848 0.791445 0.461805 O\n0.172823 0.593046 0.610931 O\n0.071071 0.381871 0.473115 O\n0.277106 0.734941 0.906716 O\n0.024828 0.346120 0.916538 O\n0.059950 0.300238 0.140492 O\n0.029647 0.158300 0.264004 O\n0.093386 0.168320 0.808035 O\n0.258941 0.670669 0.013912 O\n0.265059 0.542165 0.240049 O\n0.329331 0.588272 0.347245 O\n0.208555 0.466403 0.795138 O\n0.411728 0.741059 0.680578 O\n0.420223 0.827177 0.277598 O\n0.492314 0.860246 0.803579 O\n0.309109 0.428417 0.075289 O\n0.341213 0.474295 0.634741 O\n0.367932 0.507686 0.470245 O\n0.200090 0.235912 0.523028 O\n0.406954 0.579777 0.944264 O\n0.457835 0.722894 0.573382 O\n0.525705 0.866918 0.968074 O\n0.571583 0.880692 0.408623 O\n0.158300 0.128653 0.097338 O\n0.211393 0.260488 0.414548 O\n0.322521 0.337651 0.174952 O\n0.168320 0.074934 0.641368 O\n0.350759 0.363408 0.858494 O\n0.533597 0.742152 0.128471 O\n0.300238 0.240288 0.973825 O\n0.636592 0.987351 0.191828 O\n0.346120 0.321293 0.749872 O\n0.381871 0.310800 0.306448 O\n0.662349 0.984870 0.508285 O\n0.764088 0.964178 0.856362 O\n0.260488 0.049096 0.247882 O\n0.739512 0.950904 0.747882 O\n0.235912 0.035822 0.356362 O\n0.337651 0.015130 0.008285 O\n0.618129 0.689200 0.806448 O\n0.653880 0.678707 0.249872 O\n0.363408 0.012649 0.691828 O\n0.699762 0.759712 0.473825 O\n0.466403 0.257848 0.628471 O\n0.649241 0.636592 0.358494 O\n0.831680 0.925066 0.141368 O\n0.677479 0.662349 0.674952 O\n0.788607 0.739512 0.914548 O\n0.841700 0.871347 0.597338 O\n0.428417 0.119308 0.908623 O\n0.474295 0.133082 0.468074 O\n0.542165 0.277106 0.073382 O\n0.593046 0.420223 0.444264 O\n0.799910 0.764088 0.023028 O\n0.632068 0.492314 0.970245 O\n0.658787 0.525705 0.134741 O\n0.690891 0.571583 0.575289 O\n0.507686 0.139754 0.303579 O\n0.579777 0.172823 0.777598 O\n0.588272 0.258941 0.180578 O\n0.791445 0.533597 0.295138 O\n0.670669 0.411728 0.847245 O\n0.734941 0.457835 0.740049 O\n0.741059 0.329331 0.513912 O\n0.906614 0.831680 0.308035 O\n0.970353 0.841700 0.764004 O\n0.940050 0.699762 0.640492 O\n0.975172 0.653880 0.416538 O\n0.722894 0.265059 0.406716 O\n0.928929 0.618129 0.973115 O\n0.827177 0.406954 0.110931 O\n0.742152 0.208555 0.961805 O\n0.860246 0.367932 0.636912 O\n0.689200 0.071071 0.639782 O\n0.678707 0.024828 0.083205 O\n0.880692 0.309109 0.241956 O\n0.866918 0.341213 0.801407 O\n0.759712 0.059950 0.307159 O\n0.987351 0.350759 0.025161 O\n0.964178 0.200090 0.689695 O\n0.871347 0.029647 0.430671 O\n0.984870 0.322521 0.341619 O\n0.925066 0.093386 0.974701 O\n0.950904 0.211393 0.581215 O\n",
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"elements": [
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"P",
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],
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"density": 3.410232027797201,
"density_atomic": 0.08937659441800103,
"volume": 1879.6867467817021,
"volume_molar": 6.737939389182077,
"formula_full": "Li24 Co24 P24 O96",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy": -1207.0996610999998,
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"updated_at": "2021-11-28T01:35:11.805000Z",
"spacegroup": 169
},
{
"id": "mp-674482",
"created_at": "2022-09-04T14:48:09.794728Z",
"structure_string": "Mn8 Fe8 O24\n1.0\n7.802005 0.011531 -2.743082\n-3.901578 6.744207 -2.772955\n0.014466 -0.011531 8.270162\nMn Fe O\n8 8 24\ndirect\n0.218140 0.968140 0.250000 Mn\n0.250000 0.216321 0.966321 Mn\n0.281860 0.531860 0.750000 Mn\n0.250000 0.716321 0.466321 Mn\n0.750000 0.283679 0.533679 Mn\n0.750000 0.783679 0.033679 Mn\n0.718140 0.468140 0.250000 Mn\n0.781860 0.031860 0.750000 Mn\n0.000000 0.000000 0.500000 Fe\n0.039999 0.750000 0.789999 Fe\n0.000000 0.500000 0.000000 Fe\n0.460001 0.250000 0.710001 Fe\n0.500000 0.500000 0.500000 Fe\n0.539999 0.750000 0.289999 Fe\n0.500000 0.000000 0.000000 Fe\n0.960001 0.250000 0.210001 Fe\n0.059194 0.509161 0.785946 O\n0.224649 0.950275 0.492675 O\n0.275351 0.768027 0.725626 O\n0.223215 0.273248 0.714054 O\n0.983136 0.044143 0.269285 O\n0.225141 0.455857 0.438993 O\n0.042400 0.268027 0.992675 O\n0.274859 0.713852 0.230715 O\n0.723215 0.009161 0.949967 O\n0.559194 0.773248 0.550033 O\n0.483136 0.213852 0.938993 O\n0.542400 0.549725 0.774374 O\n0.457600 0.450275 0.225626 O\n0.516864 0.786148 0.061007 O\n0.440806 0.226752 0.449967 O\n0.276785 0.990839 0.050033 O\n0.957600 0.731973 0.007325 O\n0.725141 0.286148 0.769285 O\n0.774859 0.544143 0.561007 O\n0.016864 0.955857 0.730715 O\n0.776785 0.726752 0.285946 O\n0.724649 0.231973 0.274374 O\n0.775351 0.049725 0.507325 O\n0.940806 0.490839 0.214054 O\n",
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"elements": [
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"formula_full": "Mn8 Fe8 O24",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:38:32.240000Z",
"spacegroup": 73
},
{
"id": "mp-1336629",
"created_at": "2022-09-04T14:44:26.204480Z",
"structure_string": "Zn8 Fe16 Co8 O56\n1.0\n13.333047 0.000000 0.000000\n0.000000 6.954383 0.000000\n0.000000 3.108942 10.599895\nZn Fe Co O\n8 16 8 56\ndirect\n0.486173 0.941583 0.808762 Zn\n0.874099 0.680963 0.934593 Zn\n0.374099 0.319037 0.565407 Zn\n0.125901 0.319037 0.065407 Zn\n0.625901 0.680963 0.434593 Zn\n0.013827 0.941583 0.308762 Zn\n0.513827 0.058417 0.191238 Zn\n0.986173 0.058417 0.691238 Zn\n0.883495 0.162535 0.988465 Fe\n0.998520 0.589374 0.675986 Fe\n0.501480 0.589374 0.175986 Fe\n0.001480 0.410626 0.324014 Fe\n0.706371 0.525976 0.770756 Fe\n0.206371 0.474024 0.729244 Fe\n0.293629 0.474024 0.229244 Fe\n0.793629 0.525976 0.270756 Fe\n0.498520 0.410626 0.824014 Fe\n0.175254 0.123533 0.484688 Fe\n0.675254 0.876467 0.015312 Fe\n0.824746 0.876467 0.515312 Fe\n0.383495 0.837465 0.511535 Fe\n0.616505 0.162535 0.488465 Fe\n0.116505 0.837465 0.011535 Fe\n0.324746 0.123533 0.984688 Fe\n0.686715 0.358821 0.076759 Co\n0.186715 0.641179 0.423241 Co\n0.313285 0.641179 0.923241 Co\n0.813285 0.358821 0.576759 Co\n0.776719 0.018919 0.257709 Co\n0.276719 0.981081 0.242291 Co\n0.223281 0.981081 0.742291 Co\n0.723281 0.018919 0.757709 Co\n0.013356 0.248614 0.969668 O\n0.513356 0.751386 0.530332 O\n0.986644 0.751386 0.030332 O\n0.486644 0.248614 0.469668 O\n0.804287 0.985792 0.919583 O\n0.304287 0.014208 0.580417 O\n0.195713 0.014208 0.080417 O\n0.695713 0.985792 0.419583 O\n0.879609 0.001559 0.154186 O\n0.379609 0.998441 0.345814 O\n0.120391 0.998441 0.845814 O\n0.620391 0.001559 0.654186 O\n0.274997 0.378342 0.899323 O\n0.774997 0.621658 0.600677 O\n0.725003 0.621658 0.100677 O\n0.225003 0.378342 0.399323 O\n0.381056 0.971970 0.135806 O\n0.881056 0.028030 0.364194 O\n0.618944 0.028030 0.864194 O\n0.118944 0.971970 0.635806 O\n0.325700 0.936491 0.879105 O\n0.429559 0.660550 0.829285 O\n0.825700 0.063509 0.620895 O\n0.174300 0.936491 0.379105 O\n0.455127 0.244636 0.728680 O\n0.955127 0.755364 0.771320 O\n0.544873 0.755364 0.271320 O\n0.044873 0.244636 0.228680 O\n0.454848 0.225570 0.969991 O\n0.954848 0.774430 0.530009 O\n0.545152 0.774430 0.030009 O\n0.045152 0.225570 0.469991 O\n0.921349 0.565918 0.193051 O\n0.421349 0.434082 0.306949 O\n0.078651 0.434082 0.806949 O\n0.578651 0.565918 0.693051 O\n0.764516 0.287238 0.217251 O\n0.264516 0.712762 0.282749 O\n0.235484 0.712762 0.782749 O\n0.735484 0.287238 0.717251 O\n0.695110 0.397952 0.461526 O\n0.195110 0.602048 0.038474 O\n0.304890 0.602048 0.538474 O\n0.804890 0.397952 0.961526 O\n0.753296 0.751773 0.315990 O\n0.253296 0.248227 0.184010 O\n0.246704 0.248227 0.684010 O\n0.746704 0.751773 0.815990 O\n0.878249 0.424839 0.417605 O\n0.378249 0.575161 0.082395 O\n0.121751 0.575161 0.582395 O\n0.621751 0.424839 0.917605 O\n0.070441 0.660550 0.329285 O\n0.570441 0.339450 0.170715 O\n0.929559 0.339450 0.670715 O\n0.674300 0.063509 0.120895 O\n",
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"elements": [
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],
"chemical_system": "Co-Fe-O-Zn",
"density": 4.7039607108724075,
"density_atomic": 0.0895350527597359,
"volume": 982.8552872598941,
"volume_molar": 6.726014643851496,
"formula_full": "Zn8 Fe16 Co8 O56",
"formula_reduced": "ZnFe2CoO7",
"formula_anonymous": "ABC2D7",
"energy": -581.51097225,
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"updated_at": "2021-11-28T01:36:32.651000Z",
"spacegroup": 14
},
{
"id": "mp-758064",
"created_at": "2022-09-04T14:41:19.827746Z",
"structure_string": "Li24 Co24 P24 O96\n1.0\n4.948811 -8.571592 0.000000\n4.948811 8.571592 0.000000\n0.000000 0.000000 23.910323\nLi Co P O\n24 24 24 96\ndirect\n0.023111 0.976067 0.695317 Li\n0.034127 0.587754 0.033739 Li\n0.051918 0.459515 0.193397 Li\n0.039569 0.477644 0.849663 Li\n0.407598 0.948082 0.860064 Li\n0.438075 0.960431 0.516329 Li\n0.023933 0.047044 0.028651 Li\n0.047044 0.023111 0.861984 Li\n0.553627 0.965873 0.700405 Li\n0.412246 0.446373 0.367072 Li\n0.522356 0.561925 0.182996 Li\n0.540485 0.592402 0.526731 Li\n0.459515 0.407598 0.026731 Li\n0.477644 0.438075 0.682996 Li\n0.587754 0.553627 0.867072 Li\n0.446373 0.034127 0.200405 Li\n0.952956 0.976889 0.361984 Li\n0.976067 0.952956 0.528651 Li\n0.561925 0.039569 0.016329 Li\n0.592402 0.051918 0.360064 Li\n0.960431 0.522356 0.349663 Li\n0.948082 0.540485 0.693397 Li\n0.965873 0.412246 0.533739 Li\n0.976889 0.023933 0.195317 Li\n0.101241 0.819967 0.269892 Co\n0.085659 0.764863 0.919824 Co\n0.124704 0.754631 0.593467 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