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{
"id": "mp-757676",
"created_at": "2022-09-04T14:43:53.636623Z",
"structure_string": "Li40 Fe10 P20 O90\n1.0\n12.745293 0.000000 -0.150291\n0.000000 7.185142 0.000000\n-2.158454 0.000000 19.324751\nLi Fe P O\n40 10 20 90\ndirect\n0.094947 0.520113 0.949489 Li\n0.091587 0.272726 0.830975 Li\n0.103668 0.013765 0.701601 Li\n0.102980 0.791128 0.561194 Li\n0.094947 0.479887 0.449489 Li\n0.091587 0.727274 0.330975 Li\n0.103668 0.986235 0.201601 Li\n0.102980 0.208872 0.061194 Li\n0.287631 0.794443 0.973639 Li\n0.300316 0.953687 0.836924 Li\n0.303363 0.542622 0.845164 Li\n0.300381 0.966589 0.642835 Li\n0.287631 0.205557 0.473639 Li\n0.300316 0.046313 0.336924 Li\n0.303363 0.457378 0.345164 Li\n0.300381 0.033411 0.142835 Li\n0.513052 0.258111 0.865071 Li\n0.500000 0.582793 0.750000 Li\n0.486948 0.258111 0.634929 Li\n0.500000 0.000000 0.500000 Li\n0.513052 0.741889 0.365071 Li\n0.500000 0.417207 0.250000 Li\n0.486948 0.741889 0.134929 Li\n0.500000 0.000000 0.000000 Li\n0.699619 0.966589 0.857165 Li\n0.696637 0.542622 0.654836 Li\n0.699684 0.953687 0.663076 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O\n0.590584 0.324642 0.345057 O\n0.672779 0.313538 0.835084 O\n0.596089 0.233381 0.177477 O\n0.726038 0.727423 0.968288 O\n0.597158 0.672754 0.208468 O\n0.675796 0.053243 0.558284 O\n0.614324 0.613767 0.064495 O\n0.731198 0.070141 0.758031 O\n0.672779 0.686462 0.335084 O\n0.726038 0.272577 0.468288 O\n0.812172 0.356850 0.961816 O\n0.675796 0.946757 0.058284 O\n0.806910 0.639416 0.857920 O\n0.786423 0.402985 0.738022 O\n0.731198 0.929859 0.258030 O\n0.805009 0.332274 0.591896 O\n0.793776 0.765719 0.620738 O\n0.861284 0.042081 0.914222 O\n0.812172 0.643150 0.461816 O\n0.806910 0.360584 0.357920 O\n0.786423 0.597015 0.238022 O\n0.884991 0.755350 0.743224 O\n0.805009 0.667726 0.091896 O\n0.928407 0.318071 0.859856 O\n0.793776 0.234281 0.120738 O\n0.861284 0.957919 0.414222 O\n0.936536 0.006844 0.671986 O\n0.000040 0.270584 0.984478 O\n0.884991 0.244650 0.243224 O\n0.928407 0.681929 0.359856 O\n0.983174 0.676591 0.635795 O\n0.936536 0.993156 0.171986 O\n0.000040 0.729416 0.484478 O\n0.983174 0.323409 0.135795 O\n",
"nsites": 160,
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"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.72049319523576,
"density_atomic": 0.0905301570937426,
"volume": 1767.3668657652106,
"volume_molar": 6.652082525123827,
"formula_full": "Li40 Fe10 P20 O90",
"formula_reduced": "Li4FeP2O9",
"formula_anonymous": "AB2C4D9",
"energy": -1104.14674409,
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"band_gap": 0.0337999999999999,
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"total_magnetization": 39.9944689,
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"updated_at": "2021-11-28T01:36:08.629000Z",
"spacegroup": 13
},
{
"id": "mp-1076866",
"created_at": "2022-09-04T14:41:31.091272Z",
"structure_string": "La28 Sm4 Co24 Ag8 O80\n1.0\n-0.013073 -0.004850 10.787673\n11.439087 -0.004577 -0.012392\n-5.719516 16.275081 -5.394134\nLa Sm Co Ag O\n28 4 24 8 80\ndirect\n0.306000 0.064422 0.112829 La\n0.310441 0.061847 0.613181 La\n0.310744 0.561785 0.613279 La\n0.806948 0.062457 0.611124 La\n0.809001 0.564930 0.111658 La\n0.811529 0.564555 0.613402 La\n0.197986 0.434019 0.386789 La\n0.195250 0.435249 0.887661 La\n0.196105 0.935416 0.385267 La\n0.195813 0.936407 0.887606 La\n0.699573 0.435382 0.388366 La\n0.698143 0.934594 0.385781 La\n0.695656 0.936947 0.887817 La\n0.061910 0.299210 0.114300 La\n0.059336 0.297387 0.611991 La\n0.058359 0.798335 0.612858 La\n0.559960 0.297628 0.112929 La\n0.561105 0.301308 0.615887 La\n0.559548 0.798649 0.113053 La\n0.558367 0.798350 0.612128 La\n0.448092 0.203235 0.389055 La\n0.448203 0.199958 0.886922 La\n0.444422 0.701490 0.383265 La\n0.447609 0.697216 0.886725 La\n0.946354 0.201397 0.384990 La\n0.943757 0.200978 0.888266 La\n0.945583 0.702797 0.387142 La\n0.946979 0.700457 0.886581 La\n0.306275 0.568814 0.109788 Sm\n0.808589 0.068375 0.111575 Sm\n0.695768 0.436160 0.891396 Sm\n0.060938 0.794447 0.109603 Sm\n0.007423 0.000826 0.002927 Co\n0.007691 0.000635 0.501198 Co\n0.008511 0.501188 0.003892 Co\n0.005049 0.498068 0.494844 Co\n0.509698 0.001897 0.005175 Co\n0.503516 0.997296 0.494144 Co\n0.509170 0.501720 0.004431 Co\n0.506540 0.500165 0.497862 Co\n0.256492 0.250945 0.999533 Co\n0.255370 0.247012 0.496564 Co\n0.259868 0.753877 0.005561 Co\n0.254546 0.747282 0.495708 Co\n0.760092 0.253360 0.006144 Co\n0.754672 0.247124 0.496331 Co\n0.760899 0.752957 0.003360 Co\n0.755579 0.749389 0.498333 Co\n0.106513 0.094558 0.247380 Co\n0.108570 0.099584 0.750171 Co\n0.103738 0.597173 0.248275 Co\n0.604023 0.096189 0.249692 Co\n0.607500 0.596904 0.248377 Co\n0.359599 0.903780 0.248417 Co\n0.862418 0.404290 0.249475 Co\n0.867491 0.900445 0.750508 Co\n0.127524 0.617140 0.750274 Ag\n0.621609 0.121573 0.750413 Ag\n0.624801 0.615388 0.751211 Ag\n0.370573 0.385519 0.249394 Ag\n0.377597 0.378042 0.750887 Ag\n0.368316 0.880223 0.750710 Ag\n0.872819 0.383185 0.750370 Ag\n0.870439 0.885507 0.248543 Ag\n0.123286 0.119437 0.482252 O\n0.118926 0.116327 0.982909 O\n0.120397 0.616842 0.475767 O\n0.123155 0.623338 0.993112 O\n0.621271 0.114926 0.476440 O\n0.625133 0.120686 0.991678 O\n0.623925 0.622093 0.481521 O\n0.624025 0.615642 0.986518 O\n0.143829 0.390839 0.023957 O\n0.135314 0.373577 0.507902 O\n0.137022 0.884194 0.020646 O\n0.139920 0.877841 0.517179 O\n0.641116 0.386548 0.022159 O\n0.639378 0.376554 0.515073 O\n0.646355 0.892769 0.028013 O\n0.635678 0.874696 0.510192 O\n0.367675 0.114232 0.477250 O\n0.373370 0.111299 0.982460 O\n0.367732 0.614873 0.474979 O\n0.375622 0.615882 0.992861 O\n0.869935 0.115001 0.479393 O\n0.873740 0.113886 0.990804 O\n0.870144 0.619125 0.482224 O\n0.871158 0.606428 0.981243 O\n0.389796 0.391654 0.020020 O\n0.384846 0.379184 0.512252 O\n0.394107 0.891373 0.024266 O\n0.382803 0.879751 0.509013 O\n0.894304 0.389481 0.022710 O\n0.883029 0.380476 0.509571 O\n0.895471 0.892969 0.025093 O\n0.885645 0.881534 0.515933 O\n0.091237 0.109632 0.139190 O\n0.079551 0.100833 0.634866 O\n0.093694 0.612349 0.141037 O\n0.077284 0.596398 0.619753 O\n0.596214 0.111403 0.143171 O\n0.578310 0.096461 0.620019 O\n0.589989 0.607561 0.138981 O\n0.573637 0.596303 0.619405 O\n0.458406 0.401970 0.376289 O\n0.463562 0.402732 0.879842 O\n0.442504 0.897085 0.360679 O\n0.463598 0.896736 0.878654 O\n0.942275 0.397435 0.362116 O\n0.960409 0.397254 0.878973 O\n0.957073 0.900377 0.375964 O\n0.950000 0.896367 0.865056 O\n0.332779 0.270960 0.123643 O\n0.327477 0.272520 0.621571 O\n0.330475 0.783291 0.136922 O\n0.335280 0.770312 0.622311 O\n0.834955 0.282896 0.138436 O\n0.827192 0.269543 0.621346 O\n0.843202 0.771799 0.123205 O\n0.837776 0.782190 0.636450 O\n0.196396 0.213877 0.358553 O\n0.196201 0.217411 0.865023 O\n0.194920 0.720135 0.356889 O\n0.206641 0.727066 0.880814 O\n0.695121 0.217627 0.359295 O\n0.708800 0.229738 0.880523 O\n0.699209 0.717114 0.359183 O\n0.705958 0.730965 0.882683 O\n0.414892 0.073270 0.250102 O\n0.389080 0.092269 0.750334 O\n0.418571 0.592723 0.244020 O\n0.393482 0.592518 0.750060 O\n0.918799 0.092907 0.245767 O\n0.916826 0.074248 0.749995 O\n0.915277 0.573344 0.249484 O\n0.889900 0.595783 0.750016 O\n0.140648 0.428754 0.250586 O\n0.142110 0.401594 0.749981 O\n0.166823 0.924906 0.243409 O\n0.136793 0.927948 0.750499 O\n0.673035 0.431143 0.250605 O\n0.644025 0.405514 0.755867 O\n0.640902 0.926883 0.249701 O\n0.679615 0.906957 0.750023 O\n",
"nsites": 144,
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"elements": [
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"Sm",
"Co",
"Ag",
"O"
],
"chemical_system": "Ag-Co-La-O-Sm",
"density": 6.656194476719021,
"density_atomic": 0.07172106185909921,
"volume": 2007.7784163722724,
"volume_molar": 8.39661405436369,
"formula_full": "La28 Sm4 Co24 Ag8 O80",
"formula_reduced": "La7SmCo6(AgO10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1113.97054767,
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"energy_uncorrected": -1019.6985476700002,
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"total_magnetization": 66.0197677,
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"updated_at": "2021-11-28T01:35:23.249000Z",
"spacegroup": 1
},
{
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{
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"elements": [
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"density": 5.297195739479795,
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"updated_at": "2021-11-28T01:38:40.531000Z",
"spacegroup": 159
},
{
"id": "mp-14536",
"created_at": "2022-09-04T14:46:30.459941Z",
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{
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"elements": [
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"updated_at": "2021-11-28T01:35:12.458000Z",
"spacegroup": 1
},
{
"id": "mp-1096979",
"created_at": "2022-09-04T14:42:19.038942Z",
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{
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"elements": [
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"chemical_system": "K-Mo-O",
"density": 3.866926278877327,
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"updated_at": "2021-11-28T01:34:49.151000Z",
"spacegroup": 61
},
{
"id": "mp-653973",
"created_at": "2022-09-04T14:40:32.411837Z",
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"updated_at": "2021-11-28T01:34:52.023000Z",
"spacegroup": 173
}
]
}