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{
"id": "mp-1022612",
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{
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"structure_string": "Mg12 Zn2 Sn2\n1.0\n5.066990 0.000000 0.000000\n0.000000 6.276454 0.000000\n0.000000 0.000000 11.130103\nMg Zn Sn\n12 2 2\ndirect\n0.000000 0.247327 0.081960 Mg\n0.000000 0.752673 0.081960 Mg\n0.000000 0.000000 0.331167 Mg\n0.500000 0.743401 0.410743 Mg\n0.500000 0.256599 0.410743 Mg\n0.500000 0.000000 0.166021 Mg\n0.000000 0.747327 0.581960 Mg\n0.000000 0.252673 0.581960 Mg\n0.000000 0.500000 0.831167 Mg\n0.500000 0.243401 0.910743 Mg\n0.500000 0.756599 0.910743 Mg\n0.500000 0.500000 0.666021 Mg\n0.000000 0.500000 0.354082 Zn\n0.000000 0.000000 0.854082 Zn\n0.500000 0.500000 0.163323 Sn\n0.500000 0.000000 0.663323 Sn\n",
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{
"id": "mp-1028014",
"created_at": "2022-09-04T14:46:41.824480Z",
"structure_string": "Mg14 Zn1 Sn1\n1.0\n6.300491 -0.014457 0.000000\n-3.162765 5.478069 0.000000\n0.000000 0.000000 10.429847\nMg Zn Sn\n14 1 1\ndirect\n0.167343 0.333671 0.625000 Mg\n0.167007 0.833503 0.625000 Mg\n0.667093 0.333476 0.125000 Mg\n0.666239 0.333355 0.625000 Mg\n0.667093 0.833616 0.125000 Mg\n0.666239 0.832882 0.625000 Mg\n0.332492 0.168006 0.374661 Mg\n0.332492 0.168006 0.875339 Mg\n0.332492 0.664487 0.374661 Mg\n0.332492 0.664487 0.875339 Mg\n0.835294 0.167648 0.374871 Mg\n0.835294 0.167648 0.875129 Mg\n0.832984 0.666493 0.377108 Mg\n0.832984 0.666493 0.872892 Mg\n0.165928 0.332963 0.125000 Zn\n0.166532 0.833266 0.125000 Sn\n",
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{
"id": "mp-1027982",
"created_at": "2022-09-04T14:39:33.723118Z",
"structure_string": "Mg14 Zn1 Sn1\n1.0\n6.304052 0.000000 0.000000\n-3.152026 5.459469 -0.000000\n0.000000 0.000000 10.384368\nMg Zn Sn\n14 1 1\ndirect\n0.166497 0.833248 0.125000 Mg\n0.166486 0.833242 0.625000 Mg\n0.666752 0.333503 0.125000 Mg\n0.666758 0.333514 0.625000 Mg\n0.666752 0.833248 0.125000 Mg\n0.666758 0.833242 0.625000 Mg\n0.332545 0.167455 0.369994 Mg\n0.332545 0.167455 0.880006 Mg\n0.332545 0.665092 0.369994 Mg\n0.332545 0.665092 0.880006 Mg\n0.834908 0.167455 0.369994 Mg\n0.834908 0.167455 0.880006 Mg\n0.833333 0.666667 0.373314 Mg\n0.833333 0.666667 0.876686 Mg\n0.166667 0.333333 0.125000 Zn\n0.166667 0.333333 0.625000 Sn\n",
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"density": 2.436421420678392,
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{
"id": "mp-569745",
"created_at": "2022-09-04T14:47:20.282765Z",
"structure_string": "Yb3 Mg3 Sn3\n1.0\n3.831834 -6.636931 0.000000\n3.831834 6.636931 0.000000\n0.000000 0.000000 4.710138\nYb Mg Sn\n3 3 3\ndirect\n0.000000 0.572381 0.500000 Yb\n0.427619 0.427619 0.500000 Yb\n0.572381 0.000000 0.500000 Yb\n0.249256 0.000000 0.000000 Mg\n0.000000 0.249256 0.000000 Mg\n0.750744 0.750744 0.000000 Mg\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n",
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"formula_full": "Yb3 Mg3 Sn3",
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{
"id": "mp-1028028",
"created_at": "2022-09-04T14:39:22.245793Z",
"structure_string": "Y1 Mg14 Sn1\n1.0\n6.460597 0.000000 -0.000000\n-3.230299 5.595041 0.000000\n0.000000 0.000000 10.498904\nY Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.173744 0.836872 0.125000 Mg\n0.163494 0.831746 0.625000 Mg\n0.663128 0.326256 0.125000 Mg\n0.668254 0.336506 0.625000 Mg\n0.663128 0.836872 0.125000 Mg\n0.668254 0.831746 0.625000 Mg\n0.333417 0.166583 0.376439 Mg\n0.333417 0.166583 0.873561 Mg\n0.333417 0.666835 0.376439 Mg\n0.333417 0.666835 0.873561 Mg\n0.833165 0.166583 0.376439 Mg\n0.833165 0.166583 0.873561 Mg\n0.833333 0.666667 0.367971 Mg\n0.833333 0.666667 0.882029 Mg\n0.166667 0.333333 0.625000 Sn\n",
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"spacegroup": 187
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{
"id": "mp-1028066",
"created_at": "2022-09-04T14:47:37.051916Z",
"structure_string": "Y1 Mg14 Sn1\n1.0\n6.516318 0.091218 0.000000\n-3.179162 5.506470 0.000000\n0.000000 0.000000 10.433191\nY Mg Sn\n1 14 1\ndirect\n0.162857 0.331428 0.125000 Y\n0.165437 0.332718 0.625000 Mg\n0.164309 0.832154 0.625000 Mg\n0.664422 0.328656 0.125000 Mg\n0.666750 0.334424 0.625000 Mg\n0.664422 0.835765 0.125000 Mg\n0.666750 0.832326 0.625000 Mg\n0.335782 0.167614 0.381381 Mg\n0.335782 0.167614 0.868619 Mg\n0.335782 0.668169 0.381381 Mg\n0.335782 0.668169 0.868619 Mg\n0.832341 0.166171 0.381012 Mg\n0.832341 0.166171 0.868988 Mg\n0.832389 0.666195 0.374258 Mg\n0.832389 0.666195 0.875742 Mg\n0.172463 0.836231 0.125000 Sn\n",
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{
"id": "mp-1022832",
"created_at": "2022-09-04T14:42:42.497952Z",
"structure_string": "Y2 Mg12 Sn2\n1.0\n5.126786 0.000000 0.000000\n0.000000 6.652953 0.000000\n0.000000 0.000000 11.419654\nY Mg Sn\n2 12 2\ndirect\n0.000000 0.500000 0.328713 Y\n0.000000 0.000000 0.828713 Y\n0.000000 0.245836 0.079624 Mg\n0.000000 0.754164 0.079624 Mg\n0.000000 0.500000 0.835727 Mg\n0.500000 0.260990 0.920150 Mg\n0.500000 0.739010 0.920150 Mg\n0.500000 0.500000 0.668028 Mg\n0.000000 0.745836 0.579624 Mg\n0.000000 0.254164 0.579624 Mg\n0.000000 0.000000 0.335727 Mg\n0.500000 0.760990 0.420150 Mg\n0.500000 0.239010 0.420150 Mg\n0.500000 0.000000 0.168028 Mg\n0.500000 0.500000 0.167983 Sn\n0.500000 0.000000 0.667983 Sn\n",
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{
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{
"id": "mp-1026602",
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{
"id": "mp-1021387",
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{
"id": "mp-1026585",
"created_at": "2022-09-04T14:41:32.161333Z",
"structure_string": "Mg14 Sn1 W1\n1.0\n6.267226 0.000000 -0.000000\n-3.133613 5.427576 0.000000\n-0.000000 0.000000 10.197232\nMg Sn W\n14 1 1\ndirect\n0.167018 0.833508 0.125000 Mg\n0.166351 0.833175 0.625000 Mg\n0.666492 0.332982 0.125000 Mg\n0.666825 0.333649 0.625000 Mg\n0.666492 0.833508 0.125000 Mg\n0.666825 0.833175 0.625000 Mg\n0.327691 0.172309 0.385573 Mg\n0.327691 0.172309 0.864427 Mg\n0.327691 0.655383 0.385573 Mg\n0.327691 0.655383 0.864427 Mg\n0.844617 0.172309 0.385573 Mg\n0.844617 0.172309 0.864427 Mg\n0.833333 0.666667 0.376412 Mg\n0.833333 0.666667 0.873588 Mg\n0.166667 0.333333 0.125000 Sn\n0.166667 0.333333 0.625000 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"W"
],
"chemical_system": "Mg-Sn-W",
"density": 3.077335936368903,
"density_atomic": 0.04612712779571078,
"volume": 346.86746746646105,
"volume_molar": 13.055529463423431,
"formula_full": "Mg14 Sn1 W1",
"formula_reduced": "Mg14SnW",
"formula_anonymous": "ABC14",
"energy": -37.65183858,
"energy_per_atom": -2.35323991125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.65183858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8697317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.186000Z",
"spacegroup": 187
}
]
}