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{
"id": "jvasp-98284",
"created_at": "2022-09-04T14:35:41.307892Z",
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{
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"structure_string": "Na2 Fe2 Si4 O12\n1.0\n5.132271 -0.001120 1.179336\n1.329405 6.249838 0.652616\n0.002101 -0.005046 6.422911\nNa Fe Si O\n2 2 4 12\ndirect\n0.249998 0.701097 0.298902 Na\n0.749999 0.298901 0.701098 Na\n0.250000 0.086150 0.913850 Fe\n0.749999 0.913850 0.086151 Fe\n0.271419 0.198723 0.387211 Si\n0.728581 0.801276 0.612789 Si\n0.771418 0.387211 0.198725 Si\n0.228582 0.612790 0.801275 Si\n0.132351 0.809612 0.969198 O\n0.367648 0.030803 0.190389 O\n0.497780 0.343127 0.367217 O\n0.693556 0.626652 0.096009 O\n0.806441 0.903992 0.373349 O\n0.306444 0.373346 0.903992 O\n0.193557 0.096008 0.626651 O\n0.997778 0.367217 0.343126 O\n0.502220 0.656875 0.632783 O\n0.002222 0.632781 0.656874 O\n0.867647 0.190388 0.030804 O\n0.632351 0.969197 0.809612 O\n",
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"structure_string": "K2 Ge4 P6 O24\n1.0\n7.184576 0.015976 5.262822\n2.677393 6.667080 5.262822\n0.023575 0.015975 8.905889\nK Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.347192 0.347192 0.347192 Ge\n0.652807 0.652808 0.652808 Ge\n0.146740 0.146740 0.146740 Ge\n0.853260 0.853260 0.853260 Ge\n0.535072 0.965257 0.251955 P\n0.251954 0.535072 0.965258 P\n0.965257 0.251955 0.535072 P\n0.748045 0.464928 0.034742 P\n0.034742 0.748045 0.464928 P\n0.464927 0.034743 0.748045 P\n0.791491 0.475664 0.832921 O\n0.524336 0.167079 0.208509 O\n0.167078 0.208509 0.524336 O\n0.208509 0.524336 0.167079 O\n0.475664 0.832921 0.791491 O\n0.832921 0.791491 0.475664 O\n0.481846 0.182031 0.529681 O\n0.630112 0.015672 0.776998 O\n0.182031 0.529680 0.481847 O\n0.529680 0.481847 0.182031 O\n0.518153 0.817969 0.470319 O\n0.817969 0.470320 0.518153 O\n0.470319 0.518153 0.817969 O\n0.874737 0.104339 0.739191 O\n0.776998 0.630113 0.015672 O\n0.104339 0.739191 0.874738 O\n0.125262 0.895661 0.260809 O\n0.895661 0.260809 0.125262 O\n0.260808 0.125262 0.895661 O\n0.369887 0.984328 0.223002 O\n0.223002 0.369887 0.984328 O\n0.984328 0.223003 0.369887 O\n0.739191 0.874737 0.104339 O\n0.015672 0.776997 0.630113 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Ge",
"P",
"O"
],
"chemical_system": "Ge-K-O-P",
"density": 3.667120823171099,
"density_atomic": 0.08470423387532071,
"volume": 425.0082711684723,
"volume_molar": 7.109610092057749,
"formula_full": "K2 Ge4 P6 O24",
"formula_reduced": "KGe2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.5724582444444444,
"spacegroup": 148
},
{
"id": "jvasp-68294",
"created_at": "2022-09-04T14:36:00.002314Z",
"updated_at": "2022-09-04T14:36:00.002334Z",
"structure_string": "Be1 Fe1 Pt2\n1.0\n-1.821293 1.821293 4.020780\n1.821293 -1.821293 4.020780\n1.821293 1.821293 -4.020780\nBe Fe Pt\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Fe\n0.000000 0.000000 0.000000 Pt\n0.250000 0.749999 0.499999 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Fe",
"Pt"
],
"chemical_system": "Be-Fe-Pt",
"density": 14.16297831953624,
"density_atomic": 0.0749773440455877,
"volume": 53.349449102490496,
"volume_molar": 8.031947299091335,
"formula_full": "Be1 Fe1 Pt2",
"formula_reduced": "BeFePt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5722836,
"spacegroup": 119
}
]
}