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{
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"structure_string": "Rb8 Si2 O8\n1.0\n6.830440 0.000000 0.000000\n3.199597 6.133499 0.000000\n2.691135 0.101307 9.069765\nRb Si O\n8 2 8\ndirect\n0.244408 0.724799 0.963096 Rb\n0.497716 0.731573 0.558906 Rb\n0.634782 0.788030 0.136601 Rb\n0.063918 0.761650 0.368089 Rb\n0.936082 0.238350 0.631911 Rb\n0.365218 0.211970 0.863399 Rb\n0.502284 0.268427 0.441094 Rb\n0.755592 0.275201 0.036904 Rb\n0.859403 0.764270 0.748115 Si\n0.140597 0.235730 0.251885 Si\n0.851632 0.922018 0.871057 O\n0.729538 0.934355 0.622431 O\n0.710070 0.625777 0.831820 O\n0.870872 0.407344 0.331597 O\n0.129128 0.592656 0.668403 O\n0.289930 0.374223 0.168180 O\n0.270462 0.065645 0.377569 O\n0.148368 0.077982 0.128943 O\n",
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{
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{
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"id": "mp-1073396",
"created_at": "2022-09-04T14:43:53.244570Z",
"structure_string": "Mg4 Si8\n1.0\n3.708703 0.000000 0.000000\n-1.083852 5.143076 0.000000\n-0.203823 -2.546138 12.305877\nMg Si\n4 8\ndirect\n0.358979 0.984712 0.922630 Mg\n0.705578 0.612837 0.061319 Mg\n0.032289 0.956127 0.288616 Mg\n0.812569 0.016653 0.706421 Mg\n0.162383 0.422288 0.196062 Si\n0.652276 0.575702 0.799216 Si\n0.542249 0.398547 0.607839 Si\n0.247472 0.540196 0.388812 Si\n0.112930 0.422144 0.889548 Si\n0.580368 0.122680 0.145265 Si\n0.982476 0.212387 0.506332 Si\n0.810892 0.736008 0.488199 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.27728771468722,
"density_atomic": 0.051123864904833026,
"volume": 234.72403783121595,
"volume_molar": 11.77950996312623,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.78823971,
"energy_per_atom": -3.9823533091666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.35623971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.860000Z",
"spacegroup": 1
}
]
}