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{
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{
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{
"id": "mp-1232330",
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"structure_string": "Na2 Cu1 Ag2 S2 O2\n1.0\n-1.963009 1.963009 9.650369\n1.963009 -1.963009 9.650369\n1.963009 1.963009 -9.650369\nNa Cu Ag S O\n2 1 2 2 2\ndirect\n0.575702 0.575702 0.000000 Na\n0.424298 0.424298 0.000000 Na\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Ag\n0.837561 0.837561 0.000000 S\n0.162439 0.162439 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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{
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{
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{
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{
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"structure_string": "Cu2 Ag5 Se4 N1 O15\n1.0\n5.201093 0.068653 0.117037\n0.255183 7.021699 2.154882\n0.068745 0.132210 10.634747\nCu Ag Se N O\n2 5 4 1 15\ndirect\n0.498544 0.998698 0.500226 Cu\n0.999266 0.999813 0.000279 Cu\n0.047364 0.571203 0.683165 Ag\n0.953695 0.415849 0.310457 Ag\n0.999861 0.499716 0.999972 Ag\n0.493945 0.701303 0.863746 Ag\n0.506060 0.300969 0.135069 Ag\n0.988839 0.030610 0.673792 Se\n0.007242 0.969520 0.325237 Se\n0.526672 0.253690 0.833988 Se\n0.476724 0.746123 0.166125 Se\n0.512696 0.510524 0.502614 N\n0.806642 0.890089 0.607747 O\n0.190317 0.108948 0.391946 O\n0.292675 0.922302 0.665715 O\n0.705755 0.081805 0.335626 O\n0.216737 0.304764 0.879656 O\n0.785243 0.698809 0.117231 O\n0.643208 0.480658 0.773728 O\n0.366626 0.517892 0.229569 O\n0.678608 0.167601 0.988566 O\n0.319076 0.830749 0.013147 O\n0.916733 0.921689 0.839708 O\n0.080379 0.080645 0.159762 O\n0.460938 0.337073 0.547901 O\n0.733884 0.561124 0.454130 O\n0.344974 0.642133 0.506398 O\n",
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{
"id": "mp-675402",
"created_at": "2022-09-04T14:42:00.217623Z",
"structure_string": "Cu1 Ag1 O2\n1.0\n2.932155 0.000000 0.000000\n1.222766 3.713995 0.000000\n1.429226 0.839984 4.168620\nCu Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n0.169186 0.337071 0.283552 O\n0.830814 0.662929 0.716448 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Cu-O",
"density": 7.440587967299107,
"density_atomic": 0.08811288972036652,
"volume": 45.396309356035516,
"volume_molar": 6.834574123163771,
"formula_full": "Cu1 Ag1 O2",
"formula_reduced": "CuAgO2",
"formula_anonymous": "ABC2",
"energy": -19.05961401,
"energy_per_atom": -4.7649035025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.68561401,
"band_gap": 0.1343999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.999000Z",
"spacegroup": 2
},
{
"id": "mp-1225882",
"created_at": "2022-09-04T14:43:06.637119Z",
"structure_string": "Cu2 Ag1 O4\n1.0\n3.736742 0.000000 0.000000\n0.756328 4.728191 0.000000\n0.154740 0.658738 5.220754\nCu Ag O\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n0.302597 0.243908 0.727757 O\n0.832446 0.770563 0.718991 O\n0.697403 0.756092 0.272243 O\n0.167554 0.229437 0.281009 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Cu-O",
"density": 5.3819248729644436,
"density_atomic": 0.07588862511416733,
"volume": 92.24043773976871,
"volume_molar": 7.935498569041478,
"formula_full": "Cu2 Ag1 O4",
"formula_reduced": "Cu2AgO4",
"formula_anonymous": "AB2C4",
"energy": -35.950283379999995,
"energy_per_atom": -5.135754768571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.20228338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.486000Z",
"spacegroup": 2
}
]
}