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{
"id": "mp-1213808",
"created_at": "2022-09-04T14:42:23.404115Z",
"structure_string": "Ce4 Fe4 B16\n1.0\n0.000000 0.000000 3.465702\n5.945760 0.000000 0.000000\n0.000000 11.523509 0.000000\nCe Fe B\n4 4 16\ndirect\n0.500000 0.373376 0.149832 Ce\n0.500000 0.626624 0.850168 Ce\n0.500000 0.126624 0.649832 Ce\n0.500000 0.873376 0.350168 Ce\n0.500000 0.366044 0.410373 Fe\n0.500000 0.633956 0.589627 Fe\n0.500000 0.133956 0.910373 Fe\n0.500000 0.866044 0.089627 Fe\n0.000000 0.110110 0.045028 B\n0.000000 0.889890 0.954972 B\n0.000000 0.389890 0.545028 B\n0.000000 0.610110 0.454972 B\n0.000000 0.142133 0.466564 B\n0.000000 0.857867 0.533436 B\n0.000000 0.357867 0.966564 B\n0.000000 0.642133 0.033436 B\n0.000000 0.023646 0.188656 B\n0.000000 0.976354 0.811344 B\n0.000000 0.476354 0.688656 B\n0.000000 0.523646 0.311344 B\n0.000000 0.221007 0.316295 B\n0.000000 0.778993 0.683705 B\n0.000000 0.278993 0.816295 B\n0.000000 0.721007 0.183705 B\n",
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{
"id": "mp-31499",
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"structure_string": "Mg87 Ir12\n1.0\n0.000000 10.047279 10.047279\n10.047279 0.000000 10.047279\n10.047279 10.047279 0.000000\nMg Ir\n87 12\ndirect\n0.693178 0.909515 0.909515 Mg\n0.487792 0.909515 0.693178 Mg\n0.909515 0.487792 0.909515 Mg\n0.909515 0.909515 0.487792 Mg\n0.487792 0.693178 0.909515 Mg\n0.909515 0.693178 0.487792 Mg\n0.909515 0.487792 0.693178 Mg\n0.909515 0.693178 0.909515 Mg\n0.909515 0.909515 0.693178 Mg\n0.693178 0.487792 0.909515 Mg\n0.693178 0.909515 0.487792 Mg\n0.487792 0.909515 0.909515 Mg\n0.181171 0.518867 0.518867 Mg\n0.781094 0.518867 0.181171 Mg\n0.518867 0.781094 0.518867 Mg\n0.518867 0.518867 0.781094 Mg\n0.781094 0.181171 0.518867 Mg\n0.518867 0.181171 0.781094 Mg\n0.518867 0.781094 0.181171 Mg\n0.518867 0.181171 0.518867 Mg\n0.518867 0.518867 0.181171 Mg\n0.181171 0.781094 0.518867 Mg\n0.181171 0.518867 0.781094 Mg\n0.781094 0.518867 0.518867 Mg\n0.680605 0.033957 0.033957 Mg\n0.251482 0.033957 0.680605 Mg\n0.033957 0.251482 0.033957 Mg\n0.033957 0.033957 0.251482 Mg\n0.251482 0.680605 0.033957 Mg\n0.033957 0.680605 0.251482 Mg\n0.033957 0.251482 0.680605 Mg\n0.033957 0.680605 0.033957 Mg\n0.033957 0.033957 0.680605 Mg\n0.680605 0.251482 0.033957 Mg\n0.680605 0.033957 0.251482 Mg\n0.251482 0.033957 0.033957 Mg\n0.535466 0.270946 0.270946 Mg\n0.922641 0.270946 0.535466 Mg\n0.270946 0.922641 0.270946 Mg\n0.270946 0.270946 0.922641 Mg\n0.922641 0.535466 0.270946 Mg\n0.270946 0.535466 0.922641 Mg\n0.270946 0.922641 0.535466 Mg\n0.270946 0.535466 0.270946 Mg\n0.270946 0.270946 0.535466 Mg\n0.535466 0.922641 0.270946 Mg\n0.535466 0.270946 0.922641 Mg\n0.922641 0.270946 0.270946 Mg\n0.116231 0.769712 0.769712 Mg\n0.344345 0.769712 0.116231 Mg\n0.769712 0.344345 0.769712 Mg\n0.769712 0.769712 0.344345 Mg\n0.344345 0.116231 0.769712 Mg\n0.769712 0.116231 0.344345 Mg\n0.769712 0.344345 0.116231 Mg\n0.769712 0.116231 0.769712 Mg\n0.769712 0.769712 0.116231 Mg\n0.116231 0.344345 0.769712 Mg\n0.116231 0.769712 0.344345 Mg\n0.344345 0.769712 0.769712 Mg\n0.893377 0.106623 0.893377 Mg\n0.106623 0.893377 0.893377 Mg\n0.893377 0.106623 0.106623 Mg\n0.106623 0.893377 0.106623 Mg\n0.893377 0.893377 0.106623 Mg\n0.106623 0.106623 0.893377 Mg\n0.383535 0.616465 0.383535 Mg\n0.616465 0.383535 0.383535 Mg\n0.383535 0.616465 0.616465 Mg\n0.616465 0.383535 0.616465 Mg\n0.383535 0.383535 0.616465 Mg\n0.616465 0.616465 0.383535 Mg\n0.069954 0.430046 0.069954 Mg\n0.430046 0.069954 0.069954 Mg\n0.069954 0.430046 0.430046 Mg\n0.430046 0.069954 0.430046 Mg\n0.069954 0.069954 0.430046 Mg\n0.430046 0.430046 0.069954 Mg\n0.301562 0.301562 0.301562 Mg\n0.095313 0.301562 0.301562 Mg\n0.301562 0.095313 0.301562 Mg\n0.301562 0.301562 0.095313 Mg\n0.665029 0.665029 0.665029 Mg\n0.004912 0.665029 0.665029 Mg\n0.665029 0.004912 0.665029 Mg\n0.665029 0.665029 0.004912 Mg\n0.750000 0.750000 0.750000 Mg\n0.900417 0.900417 0.900417 Ir\n0.298748 0.900417 0.900417 Ir\n0.900417 0.298748 0.900417 Ir\n0.900417 0.900417 0.298748 Ir\n0.167683 0.167683 0.167683 Ir\n0.496950 0.167683 0.167683 Ir\n0.167683 0.496950 0.167683 Ir\n0.167683 0.167683 0.496950 Ir\n0.405008 0.405008 0.405008 Ir\n0.784976 0.405008 0.405008 Ir\n0.405008 0.784976 0.405008 Ir\n0.405008 0.405008 0.784976 Ir\n",
"nsites": 99,
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"elements": [
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"chemical_system": "Ir-Mg",
"density": 3.619160842337481,
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"volume": 2028.5017295963205,
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"formula_full": "Mg87 Ir12",
"formula_reduced": "Mg29Ir4",
"formula_anonymous": "A4B29",
"energy": -256.10768184,
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"spacegroup": 216
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{
"id": "mp-1301359",
"created_at": "2022-09-04T14:42:23.423600Z",
"structure_string": "Li6 Co4 Ni2 O12\n1.0\n0.000069 -1.491845 2.441416\n-3.386178 -4.016263 -2.456922\n8.389863 -8.071598 -4.944293\nLi Co Ni O\n6 4 2 12\ndirect\n0.498712 0.669685 0.159098 Li\n0.998711 0.163764 0.672922 Li\n0.498570 0.987792 0.504844 Li\n0.998598 0.495776 0.992204 Li\n0.998142 0.835945 0.330505 Li\n0.497868 0.334577 0.837272 Li\n0.499805 0.499344 0.498104 Co\n0.998179 0.997151 0.998447 Co\n0.999173 0.332183 0.334711 Co\n0.497428 0.831896 0.833972 Co\n0.998136 0.664296 0.666579 Ni\n0.499206 0.165347 0.164057 Ni\n0.000260 0.723981 0.495673 O\n0.498531 0.223720 0.999352 O\n0.499290 0.113239 0.336704 O\n0.996330 0.607071 0.832597 O\n0.999187 0.401589 0.184094 O\n0.495656 0.900339 0.676881 O\n0.999171 0.925634 0.156854 O\n0.500635 0.431125 0.652302 O\n0.499512 0.550234 0.340244 O\n0.997742 0.055142 0.841531 O\n0.999556 0.276665 0.488977 O\n0.497826 0.773514 0.990854 O\n",
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],
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"formula_full": "Li6 Co4 Ni2 O12",
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"spacegroup": 11
},
{
"id": "mp-1215203",
"created_at": "2022-09-04T14:42:23.577802Z",
"structure_string": "Zr4 V4 Cu4\n1.0\n2.552871 -4.523106 0.000000\n2.552871 4.523106 0.000000\n0.000000 0.000000 8.461914\nZr V Cu\n4 4 4\ndirect\n0.328346 0.671654 0.184830 Zr\n0.664493 0.335507 0.311215 Zr\n0.664493 0.335507 0.688785 Zr\n0.328346 0.671654 0.815170 Zr\n0.835382 0.164618 0.000000 V\n0.176333 0.346436 0.500000 V\n0.653564 0.823667 0.500000 V\n0.177314 0.822686 0.500000 V\n0.000220 0.999780 0.247067 Cu\n0.000220 0.999780 0.752933 Cu\n0.832195 0.660864 0.000000 Cu\n0.339136 0.167805 0.000000 Cu\n",
"nsites": 12,
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"elements": [
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"formula_full": "Zr4 V4 Cu4",
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{
"id": "mp-1104175",
"created_at": "2022-09-04T14:42:22.459133Z",
"structure_string": "Ho1 Co6 Ge6\n1.0\n5.085217 0.000000 0.000000\n-2.542609 4.403927 0.000000\n0.000000 0.000000 7.866482\nHo Co Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.749438 Co\n0.500000 0.000000 0.749438 Co\n0.000000 0.500000 0.749438 Co\n0.500000 0.500000 0.250562 Co\n0.500000 0.000000 0.250562 Co\n0.000000 0.500000 0.250562 Co\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Ge\n0.000000 0.000000 0.655557 Ge\n0.000000 0.000000 0.344443 Ge\n",
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"formula_full": "Ho1 Co6 Ge6",
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{
"id": "mp-1210440",
"created_at": "2022-09-04T14:42:21.704954Z",
"structure_string": "Pr8 Mg4 Si16\n1.0\n6.108430 0.000000 0.000000\n0.000000 6.108430 0.000000\n-3.054215 -3.054215 17.024094\nPr Mg Si\n8 4 16\ndirect\n0.800548 0.052138 0.601095 Pr\n0.800548 0.548958 0.601095 Pr\n0.798958 0.550548 0.101095 Pr\n0.449701 0.201196 0.899403 Pr\n0.449701 0.698207 0.899403 Pr\n0.302138 0.550548 0.101095 Pr\n0.451196 0.199701 0.399403 Pr\n0.948207 0.199701 0.399403 Pr\n0.125061 0.374577 0.250122 Mg\n0.125061 0.875544 0.250122 Mg\n0.125544 0.875061 0.750122 Mg\n0.624577 0.875061 0.750122 Mg\n0.264336 0.500566 0.528672 Si\n0.264336 0.028106 0.528672 Si\n0.278106 0.014336 0.028672 Si\n0.985791 0.719368 0.971581 Si\n0.985791 0.252214 0.971581 Si\n0.750566 0.014336 0.028672 Si\n0.969368 0.735791 0.471581 Si\n0.502214 0.735791 0.471581 Si\n0.333943 0.528342 0.667885 Si\n0.333943 0.139543 0.667885 Si\n0.389543 0.083943 0.167885 Si\n0.916081 0.610198 0.832162 Si\n0.916081 0.221964 0.832162 Si\n0.778342 0.083943 0.167885 Si\n0.860198 0.666081 0.332162 Si\n0.471964 0.666081 0.332162 Si\n",
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{
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"structure_string": "Sc1 Cd1 Au2\n1.0\n0.000000 3.388311 3.388311\n3.388311 0.000000 3.388311\n3.388311 3.388311 0.000000\nSc Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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"formula_full": "Sc1 Cd1 Au2",
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{
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"structure_string": "Hf8 In4 Cu8\n1.0\n7.166506 0.000000 0.000000\n0.000000 7.166506 0.000000\n0.000000 0.000000 6.892518\nHf In Cu\n8 4 8\ndirect\n0.156647 0.156647 0.000000 Hf\n0.843353 0.843353 0.000000 Hf\n0.656647 0.343353 0.500000 Hf\n0.343353 0.656647 0.500000 Hf\n0.685691 0.314309 0.000000 Hf\n0.314309 0.685691 0.000000 Hf\n0.814309 0.814309 0.500000 Hf\n0.185691 0.185691 0.500000 Hf\n0.500000 0.000000 0.250000 In\n0.500000 0.000000 0.750000 In\n0.000000 0.500000 0.250000 In\n0.000000 0.500000 0.750000 In\n0.376255 0.376255 0.219715 Cu\n0.623745 0.623745 0.780285 Cu\n0.623745 0.623745 0.219715 Cu\n0.876255 0.123745 0.719715 Cu\n0.876255 0.123745 0.280285 Cu\n0.376255 0.376255 0.780285 Cu\n0.123745 0.876255 0.280285 Cu\n0.123745 0.876255 0.719715 Cu\n",
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{
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{
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{
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{
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}