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{
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"energy_above_hull": 0.5711544000000002,
"spacegroup": 186
},
{
"id": "jvasp-98876",
"created_at": "2022-09-04T14:35:45.597351Z",
"updated_at": "2022-09-04T14:35:45.597368Z",
"structure_string": "Ag2 Sb2 C12 N8 O4 F12\n1.0\n7.638114 -0.001538 0.117099\n1.113803 7.556469 0.117099\n0.133673 0.115391 10.402538\nAg Sb C N O F\n2 2 12 8 4 12\ndirect\n0.720662 0.279337 0.250000 Ag\n0.279336 0.720663 0.750000 Ag\n0.305708 0.694291 0.250000 Sb\n0.694290 0.305709 0.750000 Sb\n0.219433 0.054745 0.955198 C\n0.796477 0.626008 0.059669 C\n0.054745 0.219434 0.455198 C\n0.373991 0.203522 0.440331 C\n0.220583 0.183460 0.523366 C\n0.626007 0.796478 0.559669 C\n0.945254 0.780566 0.544802 C\n0.779416 0.816540 0.476635 C\n0.183459 0.220583 0.023365 C\n0.203521 0.373992 0.940331 C\n0.816539 0.779417 0.976635 C\n0.780565 0.945254 0.044802 C\n0.510168 0.778980 0.630698 N\n0.778980 0.510169 0.130697 N\n0.242397 0.923650 0.900130 N\n0.076350 0.757602 0.599870 N\n0.923649 0.242397 0.400130 N\n0.489830 0.221020 0.369303 N\n0.221019 0.489831 0.869303 N\n0.757602 0.076350 0.099870 N\n0.771161 0.861254 0.363605 O\n0.861253 0.771162 0.863605 O\n0.228838 0.138746 0.636396 O\n0.138746 0.228838 0.136396 O\n0.446342 0.837633 0.147309 F\n0.617501 0.503054 0.858680 F\n0.837632 0.446343 0.647309 F\n0.162366 0.553657 0.352691 F\n0.503053 0.617502 0.358680 F\n0.382497 0.496946 0.141320 F\n0.766600 0.106063 0.641681 F\n0.233399 0.893937 0.358319 F\n0.893936 0.233399 0.858319 F\n0.106063 0.766601 0.141681 F\n0.496945 0.382498 0.641320 F\n0.553656 0.162366 0.852691 F\n",
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"nelements": 6,
"elements": [
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],
"chemical_system": "Ag-C-F-N-O-Sb",
"density": 2.7870863531520564,
"density_atomic": 0.06664262773853999,
"volume": 600.2164283937391,
"volume_molar": 9.036469545628895,
"formula_full": "Ag2 Sb2 C12 N8 O4 F12",
"formula_reduced": "AgSbC6N4(OF3)2",
"formula_anonymous": "ABC2D4E6F6",
"energy_above_hull": 3.89098175275,
"spacegroup": 15
},
{
"id": "jvasp-116984",
"created_at": "2022-09-04T14:38:47.680640Z",
"updated_at": "2022-09-04T14:38:47.680673Z",
"structure_string": "La10 Sb2 Pb6\n1.0\n9.926041 0.000000 0.000000\n-4.963020 8.596204 0.000000\n0.000000 0.000000 7.034899\nLa Sb Pb\n10 2 6\ndirect\n0.264565 -0.000000 0.250000 La\n0.333333 0.666666 0.500000 La\n0.666667 0.333333 -0.000000 La\n0.333333 0.666666 -0.000000 La\n0.264565 0.264565 0.750000 La\n0.666667 0.333333 0.500000 La\n-0.000000 0.735435 0.750000 La\n-0.000000 0.264565 0.250000 La\n0.735435 -0.000000 0.750000 La\n0.735435 0.735435 0.250000 La\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.388515 0.388515 0.250000 Pb\n0.611485 -0.000000 0.250000 Pb\n0.388515 -0.000000 0.750000 Pb\n-0.000000 0.611485 0.250000 Pb\n-0.000000 0.388515 0.750000 Pb\n0.611485 0.611485 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Sb",
"Pb"
],
"chemical_system": "La-Pb-Sb",
"density": 7.9554236366301625,
"density_atomic": 0.029986919952802095,
"volume": 600.2617150521326,
"volume_molar": 20.08255856046085,
"formula_full": "La10 Sb2 Pb6",
"formula_reduced": "La5SbPb3",
"formula_anonymous": "AB3C5",
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"spacegroup": 193
}
]
}