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"energy_uncorrected": -25.15153021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0325161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.310000Z",
"spacegroup": 25
},
{
"id": "mp-1237841",
"created_at": "2022-09-04T14:43:59.425756Z",
"structure_string": "Ag6 Se6 N2 O6\n1.0\n-2.939426 -5.091235 -1.562206\n-3.870728 5.628922 0.781103\n-1.791249 -3.102533 -13.032118\nAg Se N O\n6 6 2 6\ndirect\n0.896303 0.469268 0.913487 Ag\n0.805044 0.915713 0.573384 Ag\n0.927035 0.530732 0.413487 Ag\n0.458397 0.553804 0.887505 Ag\n0.389332 0.084287 0.073384 Ag\n0.404592 0.446196 0.387505 Ag\n0.979554 0.019791 0.778444 Se\n0.927932 0.772361 0.053726 Se\n0.459763 0.980209 0.278444 Se\n0.137480 0.278546 0.044509 Se\n0.655571 0.227639 0.553726 Se\n0.358934 0.721454 0.544509 Se\n0.034097 0.008916 0.959560 N\n0.525181 0.991084 0.459560 N\n0.932992 0.239215 0.769107 O\n0.728978 0.807362 0.751626 O\n0.193777 0.760785 0.269107 O\n0.799854 0.982686 0.945451 O\n0.421616 0.192638 0.251626 O\n0.317167 0.017314 0.445451 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ag",
"Se",
"N",
"O"
],
"chemical_system": "Ag-N-O-Se",
"density": 4.720636281796984,
"density_atomic": 0.04566878023736736,
"volume": 437.9359355789295,
"volume_molar": 13.186559239593027,
"formula_full": "Ag6 Se6 N2 O6",
"formula_reduced": "Ag3Se3NO3",
"formula_anonymous": "AB3C3D3",
"energy": -88.66036527,
"energy_per_atom": -4.4330182635,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -83.81636527,
"band_gap": 1.3087,
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"updated_at": "2021-11-28T01:36:09.566000Z",
"spacegroup": 9
},
{
"id": "mp-1215115",
"created_at": "2022-09-04T14:46:16.223879Z",
"structure_string": "Ag6 Se6 N2 O6\n1.0\n-3.728350 -6.457692 -1.906087\n-2.389201 5.684534 0.953044\n-1.762880 -3.053398 -11.818133\nAg Se N O\n6 6 2 6\ndirect\n0.971228 0.369525 0.887360 Ag\n0.027897 0.958195 0.634822 Ag\n0.101703 0.630475 0.387360 Ag\n0.617141 0.659241 0.910913 Ag\n0.569702 0.041805 0.134822 Ag\n0.457900 0.340759 0.410913 Ag\n0.087583 0.850831 0.838273 Se\n0.726961 0.745320 0.100864 Se\n0.736752 0.149169 0.338273 Se\n0.131224 0.366054 0.023551 Se\n0.481641 0.254680 0.600864 Se\n0.265170 0.633946 0.523551 Se\n0.067928 0.005761 0.004652 N\n0.562167 0.994239 0.504652 N\n0.797380 0.222574 0.754442 O\n0.621595 0.755523 0.740189 O\n0.074806 0.777426 0.254442 O\n0.579593 0.970435 0.781734 O\n0.366072 0.244477 0.240189 O\n0.109157 0.029565 0.281734 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ag",
"Se",
"N",
"O"
],
"chemical_system": "Ag-N-O-Se",
"density": 5.170861612516801,
"density_atomic": 0.05002438835003314,
"volume": 399.80498831999716,
"volume_molar": 12.038409581065894,
"formula_full": "Ag6 Se6 N2 O6",
"formula_reduced": "Ag3Se3NO3",
"formula_anonymous": "AB3C3D3",
"energy": -78.61182009999999,
"energy_per_atom": -3.9305910049999992,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.8898201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7440538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.581000Z",
"spacegroup": 9
}
]
}