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"updated_at": "2022-09-04T14:36:09.329536Z",
"structure_string": "Ca2 Zn6\n1.0\n6.457317 -0.000000 0.000000\n-3.228659 5.592200 -0.000000\n-0.000000 0.000000 4.434897\nCa Zn\n2 6\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750001 Ca\n0.143739 0.287478 0.250000 Zn\n0.712522 0.856261 0.250000 Zn\n0.143739 0.856261 0.250000 Zn\n0.287478 0.143739 0.750001 Zn\n0.856261 0.143739 0.750001 Zn\n0.856261 0.712522 0.750001 Zn\n",
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{
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"structure_string": "Mg6 Zr1 Bi1\n1.0\n6.326476 0.939092 0.000000\n-2.349962 5.948435 0.000000\n0.000000 0.000000 4.681413\nMg Zr Bi\n6 1 1\ndirect\n0.156406 0.870789 0.250000 Mg\n0.629212 0.343595 0.250000 Mg\n0.674688 0.825313 0.250000 Mg\n0.384141 0.673338 0.750000 Mg\n0.826663 0.115860 0.750000 Mg\n0.891366 0.608635 0.750000 Mg\n0.112936 0.387064 0.250000 Zr\n0.324593 0.175408 0.750000 Bi\n",
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"created_at": "2022-09-04T14:36:05.668644Z",
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"structure_string": "Mg6 Ti1 Fe1\n1.0\n6.264630 -0.128835 0.000000\n-3.243890 5.360911 0.000000\n0.000000 0.000000 4.749790\nMg Ti Fe\n6 1 1\ndirect\n0.177211 0.841542 0.250000 Mg\n0.658458 0.322789 0.250000 Mg\n0.671475 0.828526 0.250000 Mg\n0.318919 0.662369 0.750000 Mg\n0.837632 0.181082 0.750000 Mg\n0.832567 0.667434 0.750000 Mg\n0.308124 0.191876 0.750000 Ti\n0.195616 0.304384 0.250000 Fe\n",
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"formula_full": "Mg6 Ti1 Fe1",
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{
"id": "jvasp-94254",
"created_at": "2022-09-04T14:36:03.396797Z",
"updated_at": "2022-09-04T14:36:03.396819Z",
"structure_string": "Hf1 Mg6 Zr1\n1.0\n6.475340 -0.111766 0.000000\n-3.334461 5.551925 0.000000\n0.000000 0.000000 5.029823\nHf Mg Zr\n1 6 1\ndirect\n0.310260 0.189740 0.750000 Hf\n0.181506 0.831047 0.250000 Mg\n0.668953 0.318495 0.250000 Mg\n0.671573 0.828428 0.250000 Mg\n0.318628 0.669209 0.750000 Mg\n0.830791 0.181372 0.750000 Mg\n0.828413 0.671587 0.750000 Mg\n0.189876 0.310124 0.250000 Zr\n",
"nsites": 8,
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"elements": [
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"density": 3.8559627005867885,
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"volume": 178.95065369440016,
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"formula_full": "Hf1 Mg6 Zr1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-9425",
"created_at": "2022-09-04T14:37:15.415864Z",
"updated_at": "2022-09-04T14:37:15.415889Z",
"structure_string": "Mg2 Sb4 O12\n1.0\n4.708545 0.000000 0.000000\n-0.000000 4.708545 0.000000\n0.000000 0.000000 9.386642\nMg Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.832489 Sb\n0.000000 0.000000 0.332490 Sb\n0.500000 0.500000 0.167510 Sb\n0.000000 0.000000 0.667510 Sb\n0.691023 0.691023 0.000000 O\n0.808976 0.191023 0.500000 O\n0.191023 0.808976 0.500000 O\n0.308976 0.308976 0.000000 O\n0.802674 0.197325 0.829219 O\n0.697324 0.697324 0.329219 O\n0.197325 0.802674 0.170781 O\n0.302675 0.302675 0.329219 O\n0.302675 0.302675 0.670781 O\n0.697324 0.697324 0.670781 O\n0.802674 0.197325 0.170781 O\n0.197325 0.802674 0.829219 O\n",
"nsites": 18,
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"elements": [
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{
"id": "jvasp-94248",
"created_at": "2022-09-04T14:36:01.179628Z",
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"structure_string": "Mg6 Fe1 Si1\n1.0\n6.076507 0.016898 0.000000\n-3.023619 5.270859 0.000000\n0.000000 0.000000 4.719822\nMg Fe Si\n6 1 1\ndirect\n0.168633 0.843501 0.250000 Mg\n0.656500 0.331367 0.250000 Mg\n0.665515 0.834485 0.250000 Mg\n0.326690 0.648005 0.750000 Mg\n0.851996 0.173311 0.750000 Mg\n0.832320 0.667681 0.750000 Mg\n0.182882 0.317119 0.250000 Fe\n0.315468 0.184532 0.750000 Si\n",
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"volume": 151.40955214248925,
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"formula_full": "Mg6 Fe1 Si1",
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{
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"created_at": "2022-09-04T14:35:58.127275Z",
"updated_at": "2022-09-04T14:35:58.127300Z",
"structure_string": "Mg6 V1 Fe1\n1.0\n6.222214 -0.137456 0.000000\n-3.230147 5.319866 0.000000\n0.000000 0.000000 4.712712\nMg V Fe\n6 1 1\ndirect\n0.176901 0.842017 0.250000 Mg\n0.657982 0.323099 0.250000 Mg\n0.670924 0.829075 0.250000 Mg\n0.320207 0.661693 0.750000 Mg\n0.838306 0.179792 0.750000 Mg\n0.831740 0.668259 0.750000 Mg\n0.307388 0.192612 0.750000 V\n0.196548 0.303452 0.250000 Fe\n",
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"formula_full": "Mg6 V1 Fe1",
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"spacegroup": 38
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{
"id": "jvasp-94246",
"created_at": "2022-09-04T14:35:56.463108Z",
"updated_at": "2022-09-04T14:35:56.463132Z",
"structure_string": "Na1 Mg6 Fe1\n1.0\n7.179981 -1.923909 0.000000\n-5.256108 9.104028 0.000000\n0.000000 0.000000 3.184784\nNa Mg Fe\n1 6 1\ndirect\n0.250229 0.875115 0.250000 Na\n0.749664 0.374824 0.250000 Mg\n0.749664 0.874841 0.250000 Mg\n0.249776 0.165825 0.749999 Mg\n0.249764 0.583944 0.749999 Mg\n0.832148 0.166071 0.749999 Mg\n0.668375 0.584191 0.749999 Mg\n0.250377 0.375188 0.250000 Fe\n",
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{
"id": "jvasp-94245",
"created_at": "2022-09-04T14:35:54.114382Z",
"updated_at": "2022-09-04T14:35:54.114420Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.892278 -0.373739 0.000000\n-3.769806 5.782018 0.000000\n0.000000 0.000000 4.678605\nCe Mg Fe\n1 6 1\ndirect\n0.283093 0.216907 0.749999 Ce\n0.176148 0.843189 0.250000 Mg\n0.656812 0.323852 0.250000 Mg\n0.685377 0.814623 0.250000 Mg\n0.317303 0.691255 0.749999 Mg\n0.808745 0.182696 0.749999 Mg\n0.845593 0.654407 0.749999 Mg\n0.226927 0.273073 0.250000 Fe\n",
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"created_at": "2022-09-04T14:35:50.465191Z",
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"structure_string": "Mg6 Fe1 Sn1\n1.0\n6.223079 -0.022004 0.000000\n-3.130595 5.422351 0.000000\n0.000000 0.000000 4.887192\nMg Fe Sn\n6 1 1\ndirect\n0.669003 0.331647 0.250000 Mg\n0.669002 0.837356 0.250000 Mg\n0.328059 0.180586 0.750000 Mg\n0.328058 0.647474 0.750000 Mg\n0.848761 0.174382 0.750000 Mg\n0.825817 0.662911 0.750000 Mg\n0.165993 0.332996 0.250000 Fe\n0.165305 0.832652 0.250000 Sn\n",
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"created_at": "2022-09-04T14:35:47.654445Z",
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"structure_string": "Ba1 Mg6 Co1\n1.0\n8.097855 -1.110347 0.000000\n-5.010516 6.457774 0.000000\n0.000000 0.000000 4.460337\nBa Mg Co\n1 6 1\ndirect\n0.275853 0.224147 0.750001 Ba\n0.210094 0.796659 0.250000 Mg\n0.703339 0.289905 0.250000 Mg\n0.681376 0.818622 0.250000 Mg\n0.317569 0.661271 0.750001 Mg\n0.838727 0.182429 0.750001 Mg\n0.870650 0.629347 0.750001 Mg\n0.102384 0.397615 0.250000 Co\n",
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{
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"structure_string": "Mg6 Nb1 Fe1\n1.0\n6.252896 -0.167661 0.000000\n-3.271645 5.331336 0.000000\n0.000000 0.000000 4.739284\nMg Nb Fe\n6 1 1\ndirect\n0.179787 0.840280 0.250000 Mg\n0.659721 0.320213 0.250000 Mg\n0.673680 0.826321 0.250000 Mg\n0.318355 0.666239 0.749999 Mg\n0.833762 0.181645 0.749999 Mg\n0.831537 0.668464 0.749999 Mg\n0.308020 0.191981 0.749999 Nb\n0.195140 0.304861 0.250000 Fe\n",
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