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{
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"results": [
{
"id": "mp-1175775",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.934196 0.000000 0.000000\n-1.653864 -6.232544 0.000000\n-1.887690 0.309682 -7.643477\nLi Mn Co O\n9 2 5 16\ndirect\n0.126365 0.619050 0.870770 Li\n0.746430 0.247876 0.747697 Li\n0.008237 0.492349 0.503672 Li\n0.621284 0.126225 0.379686 Li\n0.877490 0.376628 0.123647 Li\n0.497063 0.011679 0.992003 Li\n0.374369 0.879583 0.623215 Li\n0.249122 0.748178 0.256015 Li\n0.248133 0.251205 0.747753 Li\n0.005385 0.001161 0.997990 Mn\n0.618587 0.620380 0.873415 Mn\n0.872346 0.880357 0.625143 Co\n0.490350 0.498316 0.504087 Co\n0.123326 0.126537 0.382252 Co\n0.754907 0.747838 0.250915 Co\n0.380684 0.371358 0.120283 Co\n0.929729 0.699118 0.051114 O\n0.568926 0.331602 0.933154 O\n0.783235 0.578866 0.691913 O\n0.424635 0.198775 0.545486 O\n0.674031 0.450577 0.300830 O\n0.306177 0.069093 0.171831 O\n0.150767 0.941180 0.818828 O\n0.052737 0.820626 0.428799 O\n0.329320 0.572082 0.698521 O\n0.930842 0.167164 0.561205 O\n0.200346 0.424497 0.323804 O\n0.841846 0.044396 0.187007 O\n0.076753 0.302234 0.957380 O\n0.695825 0.931911 0.831091 O\n0.577073 0.797565 0.441930 O\n0.463686 0.671590 0.058563 O\n",
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{
"id": "mp-780620",
"created_at": "2022-09-04T14:42:48.315283Z",
"structure_string": "Li2 Cr2 Si8 O20\n1.0\n7.090607 0.000000 0.000000\n-3.332638 6.629130 0.000000\n-2.248480 -2.829664 8.924461\nLi Cr Si O\n2 2 8 20\ndirect\n0.826008 0.332455 0.430591 Li\n0.604460 0.738202 0.956021 Li\n0.253286 0.320242 0.429759 Cr\n0.746069 0.685040 0.572764 Cr\n0.906103 0.281077 0.138331 Si\n0.239728 0.951219 0.192713 Si\n0.791790 0.605677 0.234172 Si\n0.394497 0.643001 0.246197 Si\n0.609383 0.359188 0.752083 Si\n0.195705 0.385110 0.759597 Si\n0.758901 0.049190 0.810077 Si\n0.096173 0.727065 0.858662 Si\n0.214065 0.919087 0.014847 O\n0.994650 0.796898 0.204017 O\n0.738192 0.378465 0.129779 O\n0.578555 0.643195 0.168700 O\n0.145187 0.459433 0.131810 O\n0.416682 0.875334 0.266939 O\n0.951427 0.227175 0.294534 O\n0.335569 0.192792 0.281519 O\n0.839413 0.605190 0.406049 O\n0.443537 0.603681 0.411865 O\n0.563848 0.395003 0.584103 O\n0.112920 0.342403 0.580809 O\n0.667101 0.803710 0.734657 O\n0.040796 0.787050 0.707055 O\n0.584514 0.127272 0.737732 O\n0.860761 0.538831 0.865744 O\n0.434500 0.389105 0.824697 O\n0.263199 0.624428 0.857858 O\n0.003875 0.204420 0.802113 O\n0.783401 0.070459 0.989786 O\n",
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"formula_full": "Li2 Cr2 Si8 O20",
"formula_reduced": "LiCr(Si2O5)2",
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"spacegroup": 1
},
{
"id": "mp-756579",
"created_at": "2022-09-04T14:42:50.356322Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n5.463407 0.000000 0.000000\n0.000000 5.013078 0.000000\n0.000000 4.965768 6.347018\nLi Al Co O\n4 2 2 8\ndirect\n0.335502 0.257378 0.246276 Li\n0.830826 0.506521 0.996157 Li\n0.664498 0.257378 0.746276 Li\n0.169174 0.506521 0.496157 Li\n0.673726 0.751086 0.246416 Al\n0.326274 0.751086 0.746416 Al\n0.166870 0.998951 0.002801 Co\n0.833130 0.998951 0.502801 Co\n0.681707 0.380685 0.261132 O\n0.180848 0.647097 0.977082 O\n0.162699 0.079353 0.515347 O\n0.637978 0.867530 0.731888 O\n0.318293 0.380685 0.761132 O\n0.819152 0.647097 0.477082 O\n0.837301 0.079353 0.015347 O\n0.362022 0.867530 0.231888 O\n",
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"elements": [
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"Co",
"O"
],
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"density_atomic": 0.09204119231368135,
"volume": 173.83521005976473,
"volume_molar": 6.542875650150445,
"formula_full": "Li4 Al2 Co2 O8",
"formula_reduced": "Li2AlCoO4",
"formula_anonymous": "ABC2D4",
"energy": -106.44657545,
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},
{
"id": "mp-1227197",
"created_at": "2022-09-04T14:42:48.358132Z",
"structure_string": "Ce2 Nd6 Fe56 B4\n1.0\n8.751408 -0.003682 0.000000\n-0.003682 8.751408 0.000000\n0.000000 0.000000 12.096012\nCe Nd Fe B\n2 6 56 4\ndirect\n0.231737 0.768263 0.500000 Ce\n0.768263 0.231737 0.500000 Ce\n0.268083 0.268083 0.000000 Nd\n0.731917 0.731917 0.000000 Nd\n0.641911 0.641911 0.500000 Nd\n0.358089 0.358089 0.500000 Nd\n0.858501 0.141499 0.000000 Nd\n0.141499 0.858501 0.000000 Nd\n0.182644 0.817356 0.254481 Fe\n0.817356 0.182644 0.254481 Fe\n0.317222 0.317222 0.754067 Fe\n0.682778 0.682778 0.754067 Fe\n0.817356 0.182644 0.745519 Fe\n0.182644 0.817356 0.745519 Fe\n0.682778 0.682778 0.245933 Fe\n0.317222 0.317222 0.245933 Fe\n0.401868 0.598132 0.295314 Fe\n0.598132 0.401868 0.295314 Fe\n0.097877 0.097877 0.794840 Fe\n0.902123 0.902123 0.794840 Fe\n0.598132 0.401868 0.704686 Fe\n0.401868 0.598132 0.704686 Fe\n0.902123 0.902123 0.205160 Fe\n0.097877 0.097877 0.205160 Fe\n0.140029 0.537586 0.323932 Fe\n0.859971 0.462414 0.323932 Fe\n0.360351 0.036954 0.823703 Fe\n0.639649 0.963046 0.823703 Fe\n0.859971 0.462414 0.676068 Fe\n0.140029 0.537586 0.676068 Fe\n0.639649 0.963046 0.176297 Fe\n0.360351 0.036954 0.176297 Fe\n0.537586 0.140029 0.323932 Fe\n0.462414 0.859971 0.323932 Fe\n0.036954 0.360351 0.823703 Fe\n0.963046 0.639649 0.823703 Fe\n0.462414 0.859971 0.676068 Fe\n0.537586 0.140029 0.676068 Fe\n0.963046 0.639649 0.176297 Fe\n0.036954 0.360351 0.176297 Fe\n0.500000 0.500000 0.113991 Fe\n0.000000 0.000000 0.613677 Fe\n0.500000 0.500000 0.886009 Fe\n0.000000 0.000000 0.386323 Fe\n0.932735 0.724420 0.372841 Fe\n0.067265 0.275580 0.372841 Fe\n0.567530 0.224306 0.872613 Fe\n0.432470 0.775694 0.872613 Fe\n0.067265 0.275580 0.627159 Fe\n0.932735 0.724420 0.627159 Fe\n0.432470 0.775694 0.127387 Fe\n0.567530 0.224306 0.127387 Fe\n0.724420 0.932735 0.372841 Fe\n0.275580 0.067265 0.372841 Fe\n0.224306 0.567530 0.872613 Fe\n0.775694 0.432470 0.872613 Fe\n0.275580 0.067265 0.627159 Fe\n0.724420 0.932735 0.627159 Fe\n0.775694 0.432470 0.127387 Fe\n0.224306 0.567530 0.127387 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.873994 0.873994 0.500000 B\n0.126006 0.126006 0.500000 B\n0.625991 0.374009 0.000000 B\n0.374009 0.625991 0.000000 B\n",
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],
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"volume": 926.3988244784535,
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"formula_full": "Ce2 Nd6 Fe56 B4",
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{
"id": "mp-860958",
"created_at": "2022-09-04T14:42:50.380382Z",
"structure_string": "Li8 Mn8 P8 O32\n1.0\n10.292246 0.000000 0.000000\n0.000000 5.981211 0.000000\n0.000000 0.626170 10.077849\nLi Mn P O\n8 8 8 32\ndirect\n0.898243 0.858130 0.477793 Li\n0.601757 0.858130 0.977793 Li\n0.407712 0.628608 0.780074 Li\n0.092288 0.628608 0.280074 Li\n0.907712 0.371392 0.719926 Li\n0.592288 0.371392 0.219926 Li\n0.398243 0.141870 0.022207 Li\n0.101757 0.141870 0.522207 Li\n0.169176 0.878583 0.867969 Mn\n0.330824 0.878583 0.367969 Mn\n0.645313 0.626412 0.641454 Mn\n0.854687 0.626412 0.141454 Mn\n0.145313 0.373588 0.858546 Mn\n0.354687 0.373588 0.358546 Mn\n0.669176 0.121417 0.632031 Mn\n0.830824 0.121417 0.132031 Mn\n0.891879 0.870040 0.846912 P\n0.608121 0.870040 0.346912 P\n0.145669 0.625186 0.597528 P\n0.354331 0.625186 0.097528 P\n0.645669 0.374814 0.902472 P\n0.854331 0.374814 0.402472 P\n0.391879 0.129960 0.653088 P\n0.108121 0.129960 0.153088 P\n0.807685 0.879725 0.977050 O\n0.482598 0.919676 0.667577 O\n0.692315 0.879725 0.477050 O\n0.017402 0.919676 0.167577 O\n0.798467 0.861234 0.725633 O\n0.060212 0.832225 0.576943 O\n0.701533 0.861234 0.225633 O\n0.439788 0.832225 0.076943 O\n0.234628 0.651635 0.721683 O\n0.981710 0.659152 0.863847 O\n0.265372 0.651635 0.221683 O\n0.518290 0.659152 0.363847 O\n0.571152 0.596364 0.866657 O\n0.268697 0.598763 0.971416 O\n0.928848 0.596364 0.366657 O\n0.231303 0.598763 0.471416 O\n0.768697 0.401237 0.528584 O\n0.071152 0.403636 0.633343 O\n0.731303 0.401237 0.028584 O\n0.428848 0.403636 0.133343 O\n0.481710 0.340848 0.636153 O\n0.734628 0.348365 0.778317 O\n0.018290 0.340848 0.136153 O\n0.765372 0.348365 0.278317 O\n0.560212 0.167775 0.923057 O\n0.298467 0.138766 0.774367 O\n0.939788 0.167775 0.423057 O\n0.201533 0.138766 0.274367 O\n0.982598 0.080324 0.832423 O\n0.307685 0.120275 0.522950 O\n0.517402 0.080324 0.332423 O\n0.192315 0.120275 0.022950 O\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Mg14 Cr1 Cd1 O16\n1.0\n8.580481 0.000000 0.000000\n0.000000 8.580481 0.000000\n0.000000 0.000000 4.377585\nMg Cr Cd O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.248597 0.500000 Mg\n0.000000 0.751403 0.500000 Mg\n0.500000 0.244609 0.500000 Mg\n0.500000 0.755391 0.500000 Mg\n0.248597 0.000000 0.500000 Mg\n0.244609 0.500000 0.500000 Mg\n0.751403 0.000000 0.500000 Mg\n0.755391 0.500000 0.500000 Mg\n0.248129 0.248129 0.000000 Mg\n0.248129 0.751871 0.000000 Mg\n0.751871 0.248129 0.000000 Mg\n0.751871 0.751871 0.000000 Mg\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cd\n0.251264 0.000000 0.000000 O\n0.234931 0.500000 0.000000 O\n0.748736 0.000000 0.000000 O\n0.765069 0.500000 0.000000 O\n0.250334 0.250334 0.500000 O\n0.250334 0.749666 0.500000 O\n0.749666 0.250334 0.500000 O\n0.749666 0.749666 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.251264 0.000000 O\n0.000000 0.748736 0.000000 O\n0.500000 0.234931 0.000000 O\n0.500000 0.765069 0.000000 O\n",
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}