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{
"id": "mp-1096171",
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{
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"formula_full": "La6 Si6 N6 O12",
"formula_reduced": "LaSiNO2",
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"spacegroup": 193
},
{
"id": "mp-1224084",
"created_at": "2022-09-04T14:41:30.196027Z",
"structure_string": "Ho2 Co5 Ni5\n1.0\n3.942379 0.000000 0.000000\n0.000000 4.903199 0.000000\n0.000000 0.000000 8.469577\nHo Co Ni\n2 5 5\ndirect\n0.000000 0.500000 0.000000 Ho\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 0.337613 Co\n0.000000 0.000000 0.832612 Co\n0.000000 0.000000 0.167388 Co\n0.000000 0.500000 0.662387 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Ni\n0.500000 0.750796 0.250155 Ni\n0.500000 0.249204 0.749845 Ni\n0.500000 0.249204 0.250155 Ni\n0.500000 0.750796 0.749845 Ni\n",
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"volume": 163.71919978177596,
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"formula_full": "Ho2 Co5 Ni5",
"formula_reduced": "Ho2(CoNi)5",
"formula_anonymous": "A2B5C5",
"energy": -75.82897238,
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"updated_at": "2021-11-28T01:35:23.146000Z",
"spacegroup": 47
},
{
"id": "mp-756442",
"created_at": "2022-09-04T14:41:30.199619Z",
"structure_string": "Mg2 Co4 O8\n1.0\n0.000000 4.081961 4.081961\n4.081961 0.000000 4.081961\n4.081961 4.081961 0.000000\nMg Co O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.125000 0.125000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.889267 0.889267 0.889267 O\n0.917802 0.360733 0.360733 O\n0.360733 0.917802 0.360733 O\n0.360733 0.360733 0.917802 O\n0.889267 0.332198 0.889267 O\n0.889267 0.889267 0.332198 O\n0.332198 0.889267 0.889267 O\n0.360733 0.360733 0.360733 O\n",
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"formula_full": "Mg2 Co4 O8",
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"formula_anonymous": "AB2C4",
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{
"id": "mp-1176132",
"created_at": "2022-09-04T14:41:30.206650Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.021714 0.000000 0.000000\n0.503595 9.898548 0.000000\n1.328640 2.834121 9.732994\nLi Mn Co O\n9 2 5 16\ndirect\n0.937472 0.680667 0.123143 Li\n0.440180 0.190832 0.128192 Li\n0.315519 0.559824 0.374243 Li\n0.815669 0.063964 0.375194 Li\n0.683568 0.438557 0.625936 Li\n0.184474 0.938243 0.625115 Li\n0.063390 0.317814 0.875055 Li\n0.559964 0.809658 0.872437 Li\n0.499918 0.499522 0.000214 Li\n0.001213 0.002188 0.997124 Mn\n0.370028 0.872782 0.251890 Mn\n0.880155 0.381490 0.241179 Co\n0.743490 0.748265 0.505679 Co\n0.253154 0.249128 0.498164 Co\n0.119512 0.617663 0.760199 Co\n0.630330 0.127280 0.746951 Co\n0.434906 0.848568 0.066472 O\n0.954729 0.343738 0.083065 O\n0.807341 0.722540 0.323053 O\n0.311914 0.228845 0.317377 O\n0.218908 0.601315 0.575330 O\n0.724527 0.102916 0.567479 O\n0.575511 0.481203 0.807962 O\n0.064834 0.981572 0.812350 O\n0.426469 0.518303 0.192144 O\n0.938303 0.024020 0.182654 O\n0.781691 0.397598 0.425734 O\n0.275782 0.898478 0.435429 O\n0.191655 0.272985 0.680536 O\n0.687186 0.770840 0.683890 O\n0.562090 0.152572 0.928712 O\n0.046120 0.656631 0.917098 O\n",
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"density": 4.123983974525983,
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"volume": 291.11950610320395,
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -207.44463306,
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"spacegroup": 1
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{
"id": "mp-1216509",
"created_at": "2022-09-04T14:41:30.208390Z",
"structure_string": "V12 C8\n1.0\n1.477601 -2.559280 0.000000\n1.477601 2.559280 0.000000\n0.000000 0.000000 27.562754\nV C\n12 8\ndirect\n0.333333 0.666667 0.041835 V\n0.000000 0.000000 0.375674 V\n0.666667 0.333333 0.709866 V\n0.666667 0.333333 0.958165 V\n0.333333 0.666667 0.290134 V\n0.000000 0.000000 0.624326 V\n0.333333 0.666667 0.877113 V\n0.000000 0.000000 0.207455 V\n0.666667 0.333333 0.541938 V\n0.666667 0.333333 0.122887 V\n0.333333 0.666667 0.458062 V\n0.000000 0.000000 0.792545 V\n0.666667 0.333333 0.332955 C\n0.333333 0.666667 0.667045 C\n0.000000 0.000000 0.082124 C\n0.666667 0.333333 0.422361 C\n0.333333 0.666667 0.756647 C\n0.000000 0.000000 0.917876 C\n0.666667 0.333333 0.243353 C\n0.333333 0.666667 0.577639 C\n",
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"formula_full": "V12 C8",
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{
"id": "mp-762852",
"created_at": "2022-09-04T14:41:28.010857Z",
"structure_string": "Na4 P4 H24 O22 F4\n1.0\n-0.009433 5.389945 -0.003973\n-9.633469 2.711803 -0.047774\n-4.367305 -0.001128 12.016999\nNa P H O F\n4 4 24 22 4\ndirect\n0.100328 0.958421 0.878743 Na\n0.942109 0.957004 0.379787 Na\n0.058997 0.043317 0.621565 Na\n0.891117 0.044336 0.118489 Na\n0.001615 0.674962 0.780944 P\n0.322178 0.673795 0.280976 P\n0.675936 0.325624 0.721001 P\n0.998835 0.323960 0.221862 P\n0.574268 0.922982 0.753074 H\n0.556737 0.699087 0.938510 H\n0.441728 0.840086 0.515348 H\n0.236597 0.775214 0.586300 H\n0.504128 0.918219 0.258922 H\n0.873890 0.698851 0.552341 H\n0.732770 0.535164 0.813438 H\n0.752088 0.703419 0.438163 H\n0.719297 0.840430 0.012779 H\n0.985182 0.779081 0.085806 H\n0.265738 0.464712 0.689295 H\n0.561596 0.308316 0.950367 H\n0.431905 0.698499 0.050268 H\n0.731711 0.536309 0.313486 H\n0.009266 0.225230 0.911761 H\n0.275998 0.164728 0.984566 H\n0.251853 0.296520 0.565736 H\n0.272000 0.460201 0.189208 H\n0.130351 0.303936 0.450974 H\n0.488868 0.084282 0.743869 H\n0.767141 0.226601 0.415140 H\n0.562890 0.160574 0.486054 H\n0.441902 0.298433 0.064576 H\n0.429353 0.081130 0.246872 H\n0.478764 0.762364 0.981906 O\n0.966153 0.833203 0.768430 O\n0.260706 0.867101 0.534527 O\n0.742935 0.634384 0.817288 O\n0.761608 0.764105 0.483751 O\n0.197463 0.832745 0.266751 O\n0.104792 0.622924 0.685695 O\n0.869961 0.869911 0.032301 O\n0.622117 0.635028 0.317525 O\n0.726863 0.378484 0.815673 O\n0.273803 0.622395 0.185287 O\n0.376148 0.366300 0.684048 O\n0.126987 0.134665 0.964279 O\n0.897596 0.375746 0.317345 O\n0.799259 0.166761 0.735059 O\n0.239693 0.236879 0.519160 O\n0.260240 0.361961 0.185156 O\n0.742989 0.134140 0.466129 O\n0.416469 0.002979 0.747817 O\n0.032097 0.166182 0.233195 O\n0.516292 0.240316 0.017401 O\n0.581761 0.998920 0.251516 O\n0.202150 0.573519 0.887061 F\n0.221339 0.573824 0.387563 F\n0.778991 0.423919 0.614980 F\n0.798432 0.425088 0.115801 F\n",
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"formula_full": "Na4 P4 H24 O22 F4",
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{
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{
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"structure_string": "U1 Si2 Ir2\n1.0\n-2.020949 2.020949 5.044614\n2.020949 -2.020949 5.044614\n2.020949 2.020949 -5.044614\nU Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.616846 0.616846 0.000000 Si\n0.383154 0.383154 0.000000 Si\n0.250000 0.750000 0.500000 Ir\n0.750000 0.250000 0.500000 Ir\n",
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{
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{
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]
}