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{
"count": 146323,
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"results": [
{
"id": "mp-1212318",
"created_at": "2022-09-04T14:47:09.795320Z",
"structure_string": "Na1 Yb3 Se6\n1.0\n-5.319337 -9.213363 0.000000\n-6.003675 9.608466 0.000000\n0.000000 0.000000 -56.904707\nNa Yb Se\n1 3 6\ndirect\n-0.000000 -0.000000 0.000000 Na\n-0.000000 -0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n-0.000000 0.500000 0.000000 Yb\n-0.000000 -0.000000 0.757633 Se\n-0.000000 -0.000000 0.242367 Se\n0.748624 0.733767 0.000000 Se\n0.251376 0.266233 -0.000000 Se\n0.014857 0.266233 0.000000 Se\n0.985143 0.733767 0.000000 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Yb",
"Se"
],
"chemical_system": "Na-Se-Yb",
"density": 0.2785457164637,
"density_atomic": 0.0016512367667048794,
"volume": 6056.066702024489,
"volume_molar": 364.70486131540446,
"formula_full": "Na1 Yb3 Se6",
"formula_reduced": "Na(YbSe2)3",
"formula_anonymous": "AB3C6",
"energy": -25.19363401,
"energy_per_atom": -2.519363401,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.36163401,
"band_gap": 0.0315000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.4711894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.207000Z",
"spacegroup": 65
},
{
"id": "mp-1204603",
"created_at": "2022-09-04T14:45:27.007244Z",
"structure_string": "Si40 Bi4 Te8 H292 C100\n1.0\n-9.861174 0.000000 0.130632\n0.028300 0.000000 -18.636809\n0.000000 -32.734584 0.000000\nSi Bi Te H C\n40 4 8 292 100\ndirect\n0.096815 0.386445 0.236488 Si\n0.596815 0.886445 0.263512 Si\n0.903185 0.613555 0.763512 Si\n0.403185 0.113555 0.736488 Si\n0.148604 0.511088 0.226080 Si\n0.648604 0.011088 0.273920 Si\n0.851396 0.488912 0.773920 Si\n0.351396 0.988912 0.726080 Si\n0.893335 0.353389 0.199917 Si\n0.393335 0.853389 0.300083 Si\n0.106665 0.646611 0.800083 Si\n0.606665 0.146611 0.699917 Si\n0.278438 0.308826 0.218993 Si\n0.778438 0.808826 0.281007 Si\n0.721562 0.691174 0.781007 Si\n0.221562 0.191174 0.718993 Si\n0.237064 0.197822 0.448814 Si\n0.737064 0.697822 0.051186 Si\n0.762936 0.802178 0.551186 Si\n0.262936 0.302178 0.948814 Si\n0.139360 0.124459 0.396035 Si\n0.639360 0.624459 0.103965 Si\n0.860640 0.875541 0.603965 Si\n0.360640 0.375541 0.896035 Si\n0.149592 0.169305 0.516279 Si\n0.649592 0.669305 0.983721 Si\n0.850408 0.830695 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}