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{
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{
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{
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{
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{
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{
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"structure_string": "V4 Ag1 O10\n1.0\n0.000000 -3.688747 0.000000\n-5.909549 -1.844373 0.099002\n0.071649 0.000000 -9.178929\nV Ag O\n4 1 10\ndirect\n0.065479 0.869043 0.334274 V\n0.932100 0.135800 0.664738 V\n0.771265 0.457470 0.335486 V\n0.228457 0.543086 0.663357 V\n0.379870 0.240259 0.016476 Ag\n0.603470 0.793060 0.364223 O\n0.398665 0.202669 0.635464 O\n0.240483 0.519033 0.381745 O\n0.759624 0.480752 0.616283 O\n0.050028 0.899943 0.158884 O\n0.935328 0.129344 0.845761 O\n0.800376 0.399247 0.156914 O\n0.215674 0.568651 0.839559 O\n0.923433 0.153134 0.404729 O\n0.079046 0.841908 0.606807 O\n",
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"formula_full": "V4 Ag1 O10",
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{
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{
"id": "mp-1276702",
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"structure_string": "Li12 Fe4 O16\n1.0\n3.485842 4.142810 2.530779\n1.546582 -1.085703 -7.413611\n-5.036061 2.948670 -4.951132\nLi Fe O\n12 4 16\ndirect\n0.374630 0.875684 0.376846 Li\n0.627001 0.128086 0.628989 Li\n0.866592 0.367512 0.868646 Li\n0.118889 0.619731 0.121072 Li\n0.747561 0.748566 0.747940 Li\n0.993469 0.001228 0.995440 Li\n0.247908 0.248743 0.248093 Li\n0.502335 0.496062 0.500768 Li\n0.746026 0.248818 0.247731 Li\n0.991572 0.496034 0.500245 Li\n0.245737 0.748632 0.747474 Li\n0.500433 0.001410 0.995149 Li\n0.123725 0.125769 0.625131 Fe\n0.369721 0.371714 0.870987 Fe\n0.872526 0.874361 0.374322 Fe\n0.620808 0.622608 0.122383 Fe\n0.214730 0.990884 0.489457 O\n0.483640 0.249010 0.748061 O\n0.731434 0.507420 0.006119 O\n0.964275 0.749215 0.247650 O\n0.278563 0.507374 0.005832 O\n0.528950 0.749142 0.247623 O\n0.761875 0.990582 0.489463 O\n0.009790 0.248720 0.747752 O\n0.370050 0.600902 0.642495 O\n0.621091 0.853121 0.892426 O\n0.872717 0.104521 0.143945 O\n0.123771 0.354470 0.395980 O\n0.370052 0.143734 0.099639 O\n0.621000 0.393897 0.351391 O\n0.872366 0.645164 0.602531 O\n0.123365 0.896925 0.852835 O\n",
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{
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{
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{
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"id": "mp-1027998",
"created_at": "2022-09-04T14:42:39.738415Z",
"structure_string": "Mg14 Zn1 Cu1\n1.0\n6.249057 -0.000000 0.000000\n-3.124528 5.411841 -0.000000\n0.000000 0.000000 9.976306\nMg Zn Cu\n14 1 1\ndirect\n0.165787 0.832893 0.125000 Mg\n0.164188 0.832093 0.625000 Mg\n0.667107 0.334213 0.125000 Mg\n0.667907 0.335812 0.625000 Mg\n0.667107 0.832893 0.125000 Mg\n0.667907 0.832093 0.625000 Mg\n0.328624 0.171376 0.377842 Mg\n0.328624 0.171376 0.872158 Mg\n0.328624 0.657249 0.377842 Mg\n0.328624 0.657249 0.872158 Mg\n0.842751 0.171376 0.377842 Mg\n0.842751 0.171376 0.872158 Mg\n0.833333 0.666667 0.374773 Mg\n0.833333 0.666667 0.875227 Mg\n0.166667 0.333333 0.125000 Zn\n0.166667 0.333333 0.625000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Cu"
],
"chemical_system": "Cu-Mg-Zn",
"density": 2.3094095862613195,
"density_atomic": 0.04742318369486773,
"volume": 337.38772375443796,
"volume_molar": 12.698727269657633,
"formula_full": "Mg14 Zn1 Cu1",
"formula_reduced": "Mg14ZnCu",
"formula_anonymous": "ABC14",
"energy": -27.56775679,
"energy_per_atom": -1.722984799375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.56775679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.833000Z",
"spacegroup": 187
}
]
}