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"structure_string": "Mg3 Ni20 P6\n1.0\n6.823154 0.000000 3.939350\n2.274385 6.432931 3.939350\n0.000000 0.000000 7.878699\nMg Ni P\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750000 0.750001 Mg\n0.616159 0.616159 0.151520 Ni\n0.151519 0.616159 0.616160 Ni\n0.616159 0.151519 0.616160 Ni\n0.848479 0.383840 0.383841 Ni\n0.650607 -0.000000 0.000000 Ni\n-0.000000 -0.000000 0.650608 Ni\n0.650607 -0.000000 0.349392 Ni\n-0.000000 0.650608 0.000000 Ni\n0.650607 0.349392 0.000000 Ni\n0.349392 -0.000000 0.650608 Ni\n-0.000000 0.349392 0.000000 Ni\n-0.000000 0.650608 0.349393 Ni\n0.383840 0.383840 0.848480 Ni\n0.349392 0.650608 0.000000 Ni\n-0.000000 -0.000000 0.349392 Ni\n0.349392 -0.000000 0.000000 Ni\n0.616159 0.616159 0.616160 Ni\n0.383840 0.848480 0.383841 Ni\n0.383840 0.383840 0.383841 Ni\n-0.000000 0.349392 0.650608 Ni\n0.264438 0.735562 0.735562 P\n0.735561 0.264438 0.264439 P\n0.735561 0.735562 0.264439 P\n0.264438 0.264438 0.735562 P\n0.735561 0.264438 0.735562 P\n0.264438 0.735562 0.264439 P\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"P"
],
"chemical_system": "Mg-Ni-P",
"density": 6.879125313610108,
"density_atomic": 0.08385895039699251,
"volume": 345.81878097343855,
"volume_molar": 7.181273711978127,
"formula_full": "Mg3 Ni20 P6",
"formula_reduced": "Mg3(Ni10P3)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 1.5815189017241382,
"spacegroup": 225
},
{
"id": "jvasp-95520",
"created_at": "2022-09-04T14:36:08.141162Z",
"updated_at": "2022-09-04T14:36:08.141181Z",
"structure_string": "Er3 P6 Pd20\n1.0\n7.504834 -0.000000 4.332918\n2.501612 7.075625 4.332918\n-0.000000 -0.000000 8.665834\nEr P Pd\n3 6 20\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.749999 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.736357 0.736357 0.263643 P\n0.736357 0.263642 0.263643 P\n0.263642 0.736357 0.263643 P\n0.736357 0.263642 0.736358 P\n0.263642 0.263642 0.736358 P\n0.263642 0.736357 0.736358 P\n0.000000 0.000000 0.654825 Pd\n0.000000 0.654825 0.000000 Pd\n0.383362 0.849914 0.383363 Pd\n0.616637 0.616637 0.616638 Pd\n0.383362 0.383362 0.383363 Pd\n0.654825 0.000000 0.345175 Pd\n0.150086 0.616637 0.616638 Pd\n0.000000 0.345175 0.000000 Pd\n0.345175 0.654825 0.000001 Pd\n0.616637 0.150086 0.616638 Pd\n0.616637 0.616637 0.150087 Pd\n0.849914 0.383362 0.383363 Pd\n0.383362 0.383362 0.849914 Pd\n0.345175 0.000000 0.654825 Pd\n0.654825 0.000000 0.000000 Pd\n0.000000 0.654825 0.345175 Pd\n0.654825 0.345175 0.000001 Pd\n0.000000 0.000000 0.345175 Pd\n0.000000 0.345175 0.654825 Pd\n0.345175 0.000000 0.000000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Er",
"P",
"Pd"
],
"chemical_system": "Er-P-Pd",
"density": 10.161749916421195,
"density_atomic": 0.06302048397790332,
"volume": 460.16784019253464,
"volume_molar": 9.555846575395273,
"formula_full": "Er3 P6 Pd20",
"formula_reduced": "Er3(P3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 2.424326448275862,
"spacegroup": 225
}
]
}