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{
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{
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"structure_string": "La1 Cu5\n1.0\n2.580075 -4.468822 0.000000\n2.580075 4.468822 0.000000\n0.000000 0.000000 4.137562\nLa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.333333 0.666667 0.000000 Cu\n",
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{
"id": "mp-21217",
"created_at": "2022-09-04T14:41:11.759766Z",
"structure_string": "U4 Rh4 S12\n1.0\n6.083469 0.000000 0.000000\n0.000000 7.106131 0.000000\n0.000000 0.000000 8.451047\nU Rh S\n4 4 12\ndirect\n0.433950 0.125371 0.750000 U\n0.933950 0.374629 0.250000 U\n0.566050 0.874629 0.250000 U\n0.066050 0.625371 0.750000 U\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.656568 0.179108 0.054280 S\n0.843432 0.679108 0.445720 S\n0.843432 0.679108 0.054280 S\n0.165281 0.057098 0.250000 S\n0.156568 0.320892 0.554280 S\n0.334719 0.557098 0.250000 S\n0.834719 0.942902 0.750000 S\n0.156568 0.320892 0.945720 S\n0.343432 0.820892 0.945720 S\n0.656568 0.179108 0.445720 S\n0.665281 0.442902 0.750000 S\n0.343432 0.820892 0.554280 S\n",
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{
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"created_at": "2022-09-04T14:40:31.203461Z",
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"id": "mp-1233813",
"created_at": "2022-09-04T14:48:19.820450Z",
"structure_string": "Mg1 Ag14 Pb6 O18\n1.0\n-3.145877 5.467305 6.481420\n3.030276 5.241416 -6.352698\n-6.224724 -0.013914 -6.438771\nMg Ag Pb O\n1 14 6 18\ndirect\n0.854053 0.999233 0.879650 Mg\n0.805229 0.220269 0.590689 Ag\n0.171915 0.333223 0.835217 Ag\n0.589904 0.768099 0.808694 Ag\n0.495809 0.003802 0.493623 Ag\n0.139202 0.908917 0.921287 Ag\n0.235061 0.729762 0.731353 Ag\n0.424065 0.577470 0.582416 Ag\n0.589622 0.429882 0.420263 Ag\n0.728361 0.262061 0.231005 Ag\n0.945935 0.072768 0.172185 Ag\n0.015615 0.522113 0.499196 Ag\n0.835631 0.662662 0.172409 Ag\n0.172185 0.839361 0.337834 Ag\n0.494747 0.466490 0.023014 Ag\n0.499054 0.158539 0.834400 Pb\n0.837048 0.493885 0.842594 Pb\n0.175282 0.174206 0.499394 Pb\n0.832880 0.843356 0.507721 Pb\n0.174398 0.495898 0.173015 Pb\n0.499954 0.837160 0.165563 Pb\n0.760451 0.188773 0.831944 O\n0.549198 0.425366 0.820636 O\n0.903780 0.121333 0.453599 O\n0.225421 0.146586 0.766514 O\n0.842443 0.824741 0.774727 O\n0.450743 0.882636 0.892333 O\n0.119497 0.515813 0.908833 O\n0.440789 0.190957 0.563439 O\n0.821981 0.574451 0.553973 O\n0.524819 0.105664 0.097250 O\n0.195700 0.446462 0.442621 O\n0.913254 0.479312 0.126241 O\n0.563264 0.816296 0.436160 O\n0.165815 0.231800 0.235649 O\n0.765449 0.856325 0.212420 O\n0.440213 0.558638 0.193993 O\n0.105658 0.899981 0.521567 O\n0.233566 0.769146 0.158283 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"Mg",
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-Mg-O-Pb",
"density": 7.947777659390987,
"density_atomic": 0.06088899272592754,
"volume": 640.5098566098163,
"volume_molar": 9.890360294030078,
"formula_full": "Mg1 Ag14 Pb6 O18",
"formula_reduced": "MgAg14(PbO3)6",
"formula_anonymous": "AB6C14D18",
"energy": -184.64448498,
"energy_per_atom": -4.734473973846153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.27848498,
"band_gap": 0.0391000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.317000Z",
"spacegroup": 1
}
]
}