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{
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{
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{
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{
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"Se"
],
"chemical_system": "Ca-Cr-Cu-Se",
"density": 4.731441185587358,
"density_atomic": 0.04284349573646731,
"volume": 210.0668921919792,
"volume_molar": 14.056137708842709,
"formula_full": "Ca1 Cr1 Cu3 Se4",
"formula_reduced": "CaCrCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -44.16643198,
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"updated_at": "2021-11-28T01:34:35.544000Z",
"spacegroup": 215
},
{
"id": "mp-1198520",
"created_at": "2022-09-04T14:39:10.340650Z",
"structure_string": "Cu8 S2 O24\n1.0\n0.000000 -5.194531 0.000000\n-5.870321 0.000000 0.344538\n-0.017848 0.000000 -14.122900\nCu S O\n8 2 24\ndirect\n0.326293 0.004827 0.251901 Cu\n0.673707 0.004827 0.751901 Cu\n0.321371 0.505486 0.246268 Cu\n0.678629 0.505486 0.746268 Cu\n0.820990 0.257705 0.245327 Cu\n0.179010 0.257705 0.745327 Cu\n0.179637 0.751814 0.748185 Cu\n0.820363 0.751814 0.248185 Cu\n0.029467 0.065255 0.466964 S\n0.970533 0.065255 0.966964 S\n0.009662 0.022751 0.357787 O\n0.990338 0.022751 0.857787 O\n0.950651 0.848149 0.509139 O\n0.049349 0.848149 0.009139 O\n0.306528 0.109462 0.489196 O\n0.693472 0.109462 0.989196 O\n0.869705 0.260473 0.494594 O\n0.130295 0.260473 0.994594 O\n0.499445 0.759604 0.310217 O\n0.500555 0.759604 0.810217 O\n0.149047 0.755352 0.192877 O\n0.850953 0.755352 0.692877 O\n0.704457 0.994714 0.183579 O\n0.295543 0.994714 0.683579 O\n0.497048 0.269891 0.304956 O\n0.502952 0.269891 0.804956 O\n0.146929 0.233879 0.191047 O\n0.853071 0.233879 0.691047 O\n0.949798 0.511731 0.311872 O\n0.050202 0.511731 0.811872 O\n0.629095 0.512729 0.160501 O\n0.370905 0.512729 0.660501 O\n0.459321 0.784780 0.006290 O\n0.540679 0.784780 0.506290 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S",
"density": 3.6877573537779966,
"density_atomic": 0.07894318229282032,
"volume": 430.6895036722153,
"volume_molar": 7.628449455790053,
"formula_full": "Cu8 S2 O24",
"formula_reduced": "Cu4SO12",
"formula_anonymous": "AB4C12",
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"band_gap": 0.0,
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"total_magnetization": 12.1572386,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.786000Z",
"spacegroup": 7
}
]
}