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{
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{
"id": "mp-1026665",
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{
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{
"id": "mp-1026666",
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"structure_string": "Na1 Mg14 W1\n1.0\n6.362234 0.000000 0.000000\n-3.181117 5.509856 -0.000000\n-0.000000 -0.000000 10.045639\nNa Mg W\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Na\n0.171192 0.835595 0.125000 Mg\n0.165783 0.832891 0.625000 Mg\n0.664405 0.328808 0.125000 Mg\n0.667109 0.334217 0.625000 Mg\n0.664405 0.835595 0.125000 Mg\n0.667109 0.832891 0.625000 Mg\n0.328731 0.171269 0.388227 Mg\n0.328731 0.171269 0.861773 Mg\n0.328731 0.657463 0.388227 Mg\n0.328731 0.657463 0.861773 Mg\n0.842537 0.171269 0.388227 Mg\n0.842537 0.171269 0.861773 Mg\n0.833333 0.666667 0.373186 Mg\n0.833333 0.666667 0.876814 Mg\n0.166667 0.333333 0.625000 W\n",
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{
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"structure_string": "Na2 Y2 Mg12\n1.0\n5.268954 0.000000 0.000000\n0.000000 6.657913 0.000000\n0.000000 0.000000 11.565681\nNa Y Mg\n2 2 12\ndirect\n0.500000 0.500000 0.162075 Na\n0.500000 0.000000 0.662075 Na\n0.000000 0.500000 0.337295 Y\n0.000000 0.000000 0.837295 Y\n0.000000 0.748757 0.081544 Mg\n0.000000 0.251243 0.081544 Mg\n0.000000 0.000000 0.336267 Mg\n0.500000 0.248816 0.417213 Mg\n0.500000 0.751184 0.417213 Mg\n0.500000 0.000000 0.166849 Mg\n0.000000 0.248757 0.581544 Mg\n0.000000 0.751243 0.581544 Mg\n0.000000 0.500000 0.836267 Mg\n0.500000 0.748816 0.917213 Mg\n0.500000 0.251184 0.917213 Mg\n0.500000 0.500000 0.666849 Mg\n",
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{
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{
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{
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{
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{
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"Zn"
],
"chemical_system": "Mg-Na-Zn",
"density": 1.9574213084817063,
"density_atomic": 0.043998042293299684,
"volume": 363.65254375048835,
"volume_molar": 13.68729253873437,
"formula_full": "Na1 Mg14 Zn1",
"formula_reduced": "NaMg14Zn",
"formula_anonymous": "ABC14",
"energy": -24.53856473,
"energy_per_atom": -1.533660295625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.53856473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.659000Z",
"spacegroup": 187
}
]
}