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"Te"
],
"chemical_system": "Nd-Te",
"density": 7.209679000216685,
"density_atomic": 0.03222516530358364,
"volume": 434.44307788990966,
"volume_molar": 18.687695480433426,
"formula_full": "Nd6 Te8",
"formula_reduced": "Nd3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.1846750809523812,
"spacegroup": 220
},
{
"id": "jvasp-98031",
"created_at": "2022-09-04T14:35:51.907833Z",
"updated_at": "2022-09-04T14:35:51.907858Z",
"structure_string": "Hg8 P4 O14\n1.0\n4.870205 0.000000 0.000000\n0.000000 9.098710 -1.523571\n0.000000 -0.070953 9.814804\nHg P O\n8 4 14\ndirect\n0.675294 0.516263 0.100169 Hg\n0.324705 0.483737 0.899831 Hg\n0.324705 0.016264 0.600169 Hg\n0.437853 0.315434 0.377742 Hg\n0.437853 0.184567 0.122258 Hg\n0.562146 0.684567 0.622258 Hg\n0.562146 0.815434 0.877742 Hg\n0.675294 0.983737 0.399831 Hg\n0.106633 0.848457 0.143012 P\n0.106633 0.651543 0.356988 P\n0.893366 0.151543 0.856987 P\n0.893366 0.348457 0.643012 P\n0.953937 0.520488 0.271543 O\n0.638787 0.088811 0.919151 O\n0.046062 0.479513 0.728457 O\n0.936212 0.743947 0.039309 O\n0.936212 0.756053 0.460691 O\n0.063787 0.256053 0.960690 O\n0.063787 0.243947 0.539309 O\n0.242296 0.750000 0.250000 O\n0.757703 0.250000 0.750000 O\n0.361212 0.588811 0.419152 O\n0.361212 0.911189 0.080848 O\n0.638787 0.411190 0.580848 O\n0.046062 0.020488 0.771543 O\n0.953937 0.979513 0.228457 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Hg",
"P",
"O"
],
"chemical_system": "Hg-O-P",
"density": 7.464164552280942,
"density_atomic": 0.0598536572090209,
"volume": 434.39283767076785,
"volume_molar": 10.061441590727672,
"formula_full": "Hg8 P4 O14",
"formula_reduced": "Hg4P2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.4171172230769231,
"spacegroup": 13
}
]
}