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{
"id": "mp-1017263",
"created_at": "2022-09-04T14:44:29.702434Z",
"structure_string": "Mg12 B2 Sb2\n1.0\n4.479622 0.000000 0.000000\n0.000000 5.951495 0.000000\n0.000000 0.000000 13.032594\nMg B Sb\n12 2 2\ndirect\n0.000000 0.246652 0.063692 Mg\n0.000000 0.753348 0.063692 Mg\n0.000000 0.000000 0.323192 Mg\n0.500000 0.724391 0.396964 Mg\n0.500000 0.275609 0.396964 Mg\n0.500000 0.000000 0.178095 Mg\n0.000000 0.746652 0.563692 Mg\n0.000000 0.253348 0.563692 Mg\n0.000000 0.500000 0.823192 Mg\n0.500000 0.224391 0.896964 Mg\n0.500000 0.775609 0.896964 Mg\n0.500000 0.500000 0.678095 Mg\n0.000000 0.500000 0.419613 B\n0.000000 0.000000 0.919613 B\n0.500000 0.500000 0.157790 Sb\n0.500000 0.000000 0.657790 Sb\n",
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"spacegroup": 38
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{
"id": "mp-1017269",
"created_at": "2022-09-04T14:41:57.472156Z",
"structure_string": "Mg12 Ga2 Sb2\n1.0\n5.266154 0.000000 0.000000\n0.000000 6.153048 0.000000\n0.000000 0.000000 11.020356\nMg Ga Sb\n12 2 2\ndirect\n0.000000 0.250318 0.084634 Mg\n0.000000 0.749682 0.084634 Mg\n0.000000 0.000000 0.332104 Mg\n0.500000 0.745832 0.411877 Mg\n0.500000 0.254168 0.411877 Mg\n0.500000 0.000000 0.167353 Mg\n0.000000 0.750318 0.584634 Mg\n0.000000 0.249682 0.584634 Mg\n0.000000 0.500000 0.832104 Mg\n0.500000 0.245832 0.911877 Mg\n0.500000 0.754168 0.911877 Mg\n0.500000 0.500000 0.667353 Mg\n0.000000 0.500000 0.347014 Ga\n0.000000 0.000000 0.847014 Ga\n0.500000 0.500000 0.160507 Sb\n0.500000 0.000000 0.660507 Sb\n",
"nsites": 16,
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"elements": [
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"density": 3.137131257472392,
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"formula_full": "Mg12 Ga2 Sb2",
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"spacegroup": 38
},
{
"id": "mp-1017272",
"created_at": "2022-09-04T14:43:07.734555Z",
"structure_string": "Hf2 Mg12 B2\n1.0\n4.801029 0.000000 0.000000\n0.000000 5.644033 0.000000\n0.000000 0.000000 11.458628\nHf Mg B\n2 12 2\ndirect\n0.500000 0.500000 0.183162 Hf\n0.500000 0.000000 0.683162 Hf\n0.500000 0.249808 0.433650 Mg\n0.500000 0.750192 0.433650 Mg\n0.000000 0.750149 0.078177 Mg\n0.000000 0.249851 0.078177 Mg\n0.000000 0.000000 0.302948 Mg\n0.000000 0.500000 0.336322 Mg\n0.500000 0.749808 0.933650 Mg\n0.500000 0.250192 0.933650 Mg\n0.000000 0.250149 0.578177 Mg\n0.000000 0.749851 0.578177 Mg\n0.000000 0.500000 0.802948 Mg\n0.000000 0.000000 0.836322 Mg\n0.500000 0.000000 0.153909 B\n0.500000 0.500000 0.653909 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"chemical_system": "B-Hf-Mg",
"density": 3.584571120050052,
"density_atomic": 0.05153039702476275,
"volume": 310.49634630820435,
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"formula_full": "Hf2 Mg12 B2",
"formula_reduced": "HfMg6B",
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"updated_at": "2021-11-28T01:36:04.445000Z",
"spacegroup": 38
},
{
"id": "mp-1017277",
"created_at": "2022-09-04T14:41:31.826661Z",
"structure_string": "Mg6 Ga1 C1\n1.0\n4.163579 -4.783624 0.000000\n4.163579 4.783624 0.000000\n0.000000 0.000000 3.827204\nMg Ga C\n6 1 1\ndirect\n0.387717 0.096020 0.500000 Mg\n0.903980 0.612283 0.500000 Mg\n0.208245 0.438837 0.000000 Mg\n0.561163 0.791755 0.000000 Mg\n0.680768 0.319232 0.000000 Mg\n0.110175 0.889825 0.000000 Mg\n0.888015 0.111985 0.500000 Ga\n0.259940 0.740060 0.500000 C\n",
"nsites": 8,
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"elements": [
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"chemical_system": "C-Ga-Mg",
"density": 2.4786581310331437,
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"formula_full": "Mg6 Ga1 C1",
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"updated_at": "2021-11-28T01:35:20.841000Z",
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{
"id": "mp-1017287",
"created_at": "2022-09-04T14:42:54.785716Z",
"structure_string": "Na2 Mg12 Cd2\n1.0\n5.257737 0.000000 0.000000\n0.000000 6.418914 0.000000\n0.000000 0.000000 11.121017\nNa Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.166800 Na\n0.500000 0.500000 0.666800 Na\n0.500000 0.249004 0.416574 Mg\n0.500000 0.750996 0.416574 Mg\n0.000000 0.748700 0.083220 Mg\n0.000000 0.251300 0.083220 Mg\n0.000000 0.000000 0.334072 Mg\n0.000000 0.500000 0.333186 Mg\n0.500000 0.749004 0.916574 Mg\n0.500000 0.250996 0.916574 Mg\n0.000000 0.248700 0.583220 Mg\n0.000000 0.751300 0.583220 Mg\n0.000000 0.500000 0.834072 Mg\n0.000000 0.000000 0.833186 Mg\n0.500000 0.500000 0.166349 Cd\n0.500000 0.000000 0.666349 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cd-Mg-Na",
"density": 2.488496349550814,
"density_atomic": 0.04262997350193796,
"volume": 375.3227761042976,
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"formula_full": "Na2 Mg12 Cd2",
"formula_reduced": "NaMg6Cd",
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"updated_at": "2021-11-28T01:36:01.480000Z",
"spacegroup": 38
},
{
"id": "mp-1017288",
"created_at": "2022-09-04T14:40:19.266942Z",
"structure_string": "Na2 Mg12 Ga2\n1.0\n5.110943 0.000000 0.000000\n0.000000 6.375537 0.000000\n0.000000 0.000000 11.184447\nNa Mg Ga\n2 12 2\ndirect\n0.500000 0.000000 0.166942 Na\n0.500000 0.500000 0.666942 Na\n0.500000 0.248364 0.416640 Mg\n0.500000 0.751636 0.416640 Mg\n0.000000 0.744940 0.083787 Mg\n0.000000 0.255060 0.083787 Mg\n0.000000 0.000000 0.335218 Mg\n0.000000 0.500000 0.331910 Mg\n0.500000 0.748364 0.916640 Mg\n0.500000 0.251636 0.916640 Mg\n0.000000 0.244940 0.583787 Mg\n0.000000 0.755060 0.583787 Mg\n0.000000 0.500000 0.835218 Mg\n0.000000 0.000000 0.831910 Mg\n0.500000 0.500000 0.165072 Ga\n0.500000 0.000000 0.665072 Ga\n",
"nsites": 16,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Mg-Na",
"density": 2.1737671731534185,
"density_atomic": 0.04390233899013805,
"volume": 364.4452748541289,
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"formula_full": "Na2 Mg12 Ga2",
"formula_reduced": "NaMg6Ga",
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"updated_at": "2021-11-28T01:35:00.670000Z",
"spacegroup": 38
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{
"id": "mp-1017289",
"created_at": "2022-09-04T14:44:00.374852Z",
"structure_string": "Na2 Hf2 Mg12\n1.0\n5.179188 0.000000 0.000000\n0.000000 6.458377 0.000000\n0.000000 0.000000 11.176669\nNa Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.336156 Na\n0.000000 0.000000 0.836156 Na\n0.500000 0.500000 0.158117 Hf\n0.500000 0.000000 0.658117 Hf\n0.000000 0.257529 0.086130 Mg\n0.000000 0.742471 0.086130 Mg\n0.000000 0.500000 0.833843 Mg\n0.500000 0.250126 0.917699 Mg\n0.500000 0.749874 0.917699 Mg\n0.500000 0.500000 0.664226 Mg\n0.000000 0.757529 0.586130 Mg\n0.000000 0.242471 0.586130 Mg\n0.000000 0.000000 0.333843 Mg\n0.500000 0.750126 0.417699 Mg\n0.500000 0.249874 0.417699 Mg\n0.500000 0.000000 0.164226 Mg\n",
"nsites": 16,
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"elements": [
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"density": 3.085308776770447,
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"volume": 373.85006288087425,
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"formula_full": "Na2 Hf2 Mg12",
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{
"id": "mp-1017291",
"created_at": "2022-09-04T14:39:46.855935Z",
"structure_string": "Na2 Mg12 Cd2\n1.0\n5.242887 0.000000 0.000000\n0.000000 6.458439 0.000000\n0.000000 0.000000 11.105103\nNa Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.332553 Na\n0.000000 0.000000 0.832553 Na\n0.000000 0.251337 0.083171 Mg\n0.000000 0.748663 0.083171 Mg\n0.000000 0.500000 0.834252 Mg\n0.500000 0.252451 0.917068 Mg\n0.500000 0.747549 0.917068 Mg\n0.500000 0.500000 0.666869 Mg\n0.000000 0.751337 0.583171 Mg\n0.000000 0.248663 0.583171 Mg\n0.000000 0.000000 0.334252 Mg\n0.500000 0.752451 0.417068 Mg\n0.500000 0.247549 0.417068 Mg\n0.500000 0.000000 0.166869 Mg\n0.500000 0.500000 0.165848 Cd\n0.500000 0.000000 0.665848 Cd\n",
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"formula_full": "Na2 Mg12 Cd2",
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{
"id": "mp-1017292",
"created_at": "2022-09-04T14:40:03.491514Z",
"structure_string": "Rb2 Sr2 Mg12\n1.0\n5.298251 0.000000 0.000000\n0.000000 7.191436 0.000000\n0.000000 0.000000 13.554897\nRb Sr Mg\n2 2 12\ndirect\n0.500000 0.000000 0.175382 Rb\n0.500000 0.500000 0.675382 Rb\n0.500000 0.500000 0.170521 Sr\n0.500000 0.000000 0.670521 Sr\n0.500000 0.254683 0.422597 Mg\n0.500000 0.745317 0.422597 Mg\n0.000000 0.737747 0.047159 Mg\n0.000000 0.262253 0.047159 Mg\n0.000000 0.000000 0.360598 Mg\n0.000000 0.500000 0.353984 Mg\n0.500000 0.754683 0.922597 Mg\n0.500000 0.245317 0.922597 Mg\n0.000000 0.237747 0.547159 Mg\n0.000000 0.762253 0.547159 Mg\n0.000000 0.500000 0.860598 Mg\n0.000000 0.000000 0.853984 Mg\n",
"nsites": 16,
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"formula_full": "Rb2 Sr2 Mg12",
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{
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"structure_string": "Li2\n1.0\n1.538769 -2.665227 0.000000\n1.538769 2.665227 0.000000\n0.000000 0.000000 4.922947\nLi\n2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n",
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"elements": [
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"updated_at": "2021-11-28T01:40:10.958000Z",
"spacegroup": 194
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{
"id": "mp-1017302",
"created_at": "2022-09-04T14:40:30.927022Z",
"structure_string": "Na2 Mg12 Ga2\n1.0\n5.131056 0.000000 0.000000\n0.000000 6.413884 0.000000\n0.000000 0.000000 11.101291\nNa Mg Ga\n2 12 2\ndirect\n0.000000 0.500000 0.330806 Na\n0.000000 0.000000 0.830806 Na\n0.000000 0.255169 0.084123 Mg\n0.000000 0.744831 0.084123 Mg\n0.000000 0.500000 0.834502 Mg\n0.500000 0.253822 0.917303 Mg\n0.500000 0.746178 0.917303 Mg\n0.500000 0.500000 0.667155 Mg\n0.000000 0.755169 0.584123 Mg\n0.000000 0.244831 0.584123 Mg\n0.000000 0.000000 0.334502 Mg\n0.500000 0.753822 0.417303 Mg\n0.500000 0.246178 0.417303 Mg\n0.500000 0.000000 0.167155 Mg\n0.500000 0.500000 0.164685 Ga\n0.500000 0.000000 0.664685 Ga\n",
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{
"id": "mp-1017305",
"created_at": "2022-09-04T14:46:12.187018Z",
"structure_string": "Na2 Mg12 Sb2\n1.0\n5.272577 0.000000 0.000000\n0.000000 6.353668 0.000000\n0.000000 0.000000 11.435557\nNa Mg Sb\n2 12 2\ndirect\n0.000000 0.000000 0.167170 Na\n0.000000 0.500000 0.667170 Na\n0.000000 0.248225 0.416305 Mg\n0.000000 0.751775 0.416305 Mg\n0.500000 0.750636 0.081232 Mg\n0.500000 0.249364 0.081232 Mg\n0.500000 0.000000 0.335724 Mg\n0.500000 0.500000 0.336299 Mg\n0.000000 0.748225 0.916305 Mg\n0.000000 0.251775 0.916305 Mg\n0.500000 0.250636 0.581232 Mg\n0.500000 0.749364 0.581232 Mg\n0.500000 0.500000 0.835724 Mg\n0.500000 0.000000 0.836299 Mg\n0.000000 0.500000 0.165729 Sb\n0.000000 0.000000 0.665729 Sb\n",
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"is_magnetic": false,
"total_magnetization": 0.0019536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.662000Z",
"spacegroup": 38
}
]
}