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{
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"structure_string": "Ce1 Mg15\n1.0\n6.491720 -0.000000 -0.000000\n-3.245860 5.621994 0.000000\n0.000000 0.000000 10.243311\nCe Mg\n1 15\ndirect\n0.166667 0.333333 0.125000 Ce\n0.166667 0.333333 0.625000 Mg\n0.180207 0.840103 0.125000 Mg\n0.164088 0.832044 0.625000 Mg\n0.659897 0.319793 0.125000 Mg\n0.667956 0.335912 0.625000 Mg\n0.659897 0.840103 0.125000 Mg\n0.667956 0.832044 0.625000 Mg\n0.333788 0.166212 0.380473 Mg\n0.333788 0.166212 0.869527 Mg\n0.333788 0.667576 0.380473 Mg\n0.333788 0.667576 0.869527 Mg\n0.832424 0.166212 0.380473 Mg\n0.832424 0.166212 0.869527 Mg\n0.833333 0.666667 0.365974 Mg\n0.833333 0.666667 0.884026 Mg\n",
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{
"id": "mp-1028151",
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"structure_string": "Ce1 Mg14 Zr1\n1.0\n6.536571 0.174739 0.000000\n-3.116957 5.398728 0.000000\n0.000000 0.000000 10.401237\nCe Mg Zr\n1 14 1\ndirect\n0.152442 0.826220 0.125000 Ce\n0.160722 0.330361 0.625000 Mg\n0.163115 0.831557 0.625000 Mg\n0.655023 0.327720 0.125000 Mg\n0.662158 0.329385 0.625000 Mg\n0.655023 0.827302 0.125000 Mg\n0.662158 0.832772 0.625000 Mg\n0.341533 0.172871 0.380689 Mg\n0.341533 0.172871 0.869311 Mg\n0.341533 0.668663 0.380689 Mg\n0.341533 0.668663 0.869311 Mg\n0.843755 0.171878 0.370309 Mg\n0.843755 0.171878 0.879691 Mg\n0.833206 0.666604 0.384147 Mg\n0.833206 0.666604 0.865853 Mg\n0.169305 0.334652 0.125000 Zr\n",
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{
"id": "mp-1028088",
"created_at": "2022-09-04T14:46:56.043875Z",
"structure_string": "Ce1 Mg14 Zr1\n1.0\n6.502669 0.000000 -0.000000\n-3.251334 5.631477 -0.000000\n0.000000 -0.000000 10.089022\nCe Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.166267 0.833133 0.125000 Mg\n0.177071 0.838535 0.625000 Mg\n0.666867 0.333733 0.125000 Mg\n0.661465 0.322929 0.625000 Mg\n0.666867 0.833133 0.125000 Mg\n0.661465 0.838535 0.625000 Mg\n0.334867 0.165133 0.367864 Mg\n0.334867 0.165133 0.882136 Mg\n0.334867 0.669735 0.367864 Mg\n0.334867 0.669735 0.882136 Mg\n0.830265 0.165133 0.367864 Mg\n0.830265 0.165133 0.882136 Mg\n0.833333 0.666667 0.381643 Mg\n0.833333 0.666667 0.868357 Mg\n0.166667 0.333333 0.125000 Zr\n",
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{
"id": "mp-1028079",
"created_at": "2022-09-04T14:48:17.510091Z",
"structure_string": "Ce1 Mg14 Zn1\n1.0\n6.531471 0.090719 0.000000\n-3.187171 5.520341 0.000000\n0.000000 0.000000 10.286205\nCe Mg Zn\n1 14 1\ndirect\n0.148229 0.824114 0.125000 Ce\n0.162216 0.331108 0.625000 Mg\n0.166854 0.833427 0.625000 Mg\n0.642710 0.331964 0.125000 Mg\n0.665714 0.328871 0.625000 Mg\n0.642710 0.810745 0.125000 Mg\n0.665714 0.836843 0.625000 Mg\n0.337718 0.171830 0.379142 Mg\n0.337718 0.171830 0.870858 Mg\n0.337718 0.665889 0.379142 Mg\n0.337718 0.665889 0.870858 Mg\n0.846999 0.173500 0.356973 Mg\n0.846999 0.173500 0.893027 Mg\n0.830419 0.665210 0.384641 Mg\n0.830419 0.665210 0.865359 Mg\n0.200144 0.350071 0.125000 Zn\n",
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{
"id": "mp-1028072",
"created_at": "2022-09-04T14:41:30.140382Z",
"structure_string": "Ce1 Mg14 Zn1\n1.0\n6.492056 -0.000000 -0.000000\n-3.246028 5.622285 0.000000\n-0.000000 -0.000000 10.235266\nCe Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.162487 0.831243 0.125000 Mg\n0.182295 0.841147 0.625000 Mg\n0.668757 0.337513 0.125000 Mg\n0.658853 0.317705 0.625000 Mg\n0.668757 0.831243 0.125000 Mg\n0.658853 0.841147 0.625000 Mg\n0.331790 0.168210 0.363479 Mg\n0.331790 0.168210 0.886521 Mg\n0.331790 0.663582 0.363479 Mg\n0.331790 0.663582 0.886521 Mg\n0.836418 0.168210 0.363479 Mg\n0.836418 0.168210 0.886521 Mg\n0.833333 0.666667 0.383600 Mg\n0.833333 0.666667 0.866400 Mg\n0.166667 0.333333 0.125000 Zn\n",
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{
"id": "mp-1026785",
"created_at": "2022-09-04T14:40:57.535050Z",
"structure_string": "Ce1 Mg14 W1\n1.0\n6.333073 -0.000000 -0.000000\n-3.166536 5.484601 -0.000000\n0.000000 -0.000000 10.157160\nCe Mg W\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.181985 0.840992 0.125000 Mg\n0.159614 0.829806 0.625000 Mg\n0.659008 0.318015 0.125000 Mg\n0.670194 0.340386 0.625000 Mg\n0.659008 0.840992 0.125000 Mg\n0.670194 0.829806 0.625000 Mg\n0.329647 0.170353 0.394761 Mg\n0.329647 0.170353 0.855239 Mg\n0.329647 0.659295 0.394761 Mg\n0.329647 0.659295 0.855239 Mg\n0.840705 0.170353 0.394761 Mg\n0.840705 0.170353 0.855239 Mg\n0.833333 0.666667 0.360147 Mg\n0.833333 0.666667 0.889853 Mg\n0.166667 0.333333 0.625000 W\n",
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{
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"structure_string": "Ce1 Mg14 W1\n1.0\n6.476999 0.291583 0.000000\n-2.985981 5.171871 0.000000\n0.000000 0.000000 10.398872\nCe Mg W\n1 14 1\ndirect\n0.142022 0.321010 0.125000 Ce\n0.166045 0.333022 0.625000 Mg\n0.158667 0.829333 0.625000 Mg\n0.644131 0.318715 0.125000 Mg\n0.659485 0.332206 0.625000 Mg\n0.644131 0.825415 0.125000 Mg\n0.659485 0.827279 0.625000 Mg\n0.341383 0.164982 0.373053 Mg\n0.341383 0.164982 0.876947 Mg\n0.341383 0.676403 0.373053 Mg\n0.341383 0.676403 0.876947 Mg\n0.838838 0.169420 0.388502 Mg\n0.838838 0.169420 0.861498 Mg\n0.859163 0.679582 0.356809 Mg\n0.859163 0.679582 0.893191 Mg\n0.164497 0.832248 0.125000 W\n",
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{
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{
"id": "mp-1028918",
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{
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{
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.466000Z",
"spacegroup": 187
},
{
"id": "mp-1099079",
"created_at": "2022-09-04T14:42:41.695012Z",
"structure_string": "Ce1 Mg14 Sn1\n1.0\n3.241870 -5.699074 0.000000\n3.241870 5.699074 0.000000\n0.000000 0.000000 10.436771\nCe Mg Sn\n1 14 1\ndirect\n0.332598 0.667402 0.500000 Ce\n0.833051 0.166949 0.000000 Mg\n0.333225 0.666775 0.000000 Mg\n0.328836 0.163383 0.500000 Mg\n0.333707 0.167051 0.000000 Mg\n0.836617 0.671164 0.500000 Mg\n0.832949 0.666293 0.000000 Mg\n0.166665 0.331197 0.245011 Mg\n0.166665 0.331197 0.754989 Mg\n0.668803 0.833335 0.245011 Mg\n0.668803 0.833335 0.754989 Mg\n0.665846 0.334154 0.252445 Mg\n0.665846 0.334154 0.747555 Mg\n0.165323 0.834677 0.245230 Mg\n0.165323 0.834677 0.754770 Mg\n0.835752 0.164248 0.500000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Sn"
],
"chemical_system": "Ce-Mg-Sn",
"density": 2.5795828186459007,
"density_atomic": 0.04148813770435882,
"volume": 385.6524029594852,
"volume_molar": 14.515331594089128,
"formula_full": "Ce1 Mg14 Sn1",
"formula_reduced": "CeMg14Sn",
"formula_anonymous": "ABC14",
"energy": -32.80822521,
"energy_per_atom": -2.050514075625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.80822521,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5256786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.136000Z",
"spacegroup": 38
}
]
}