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"structure_string": "Ga2 Ni21 B6\n1.0\n6.403972 -0.000000 3.697335\n2.134657 6.037723 3.697335\n0.000000 -0.000000 7.394670\nGa Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.749999 Ga\n0.250000 0.250000 0.250000 Ga\n0.662897 0.000000 -0.000000 Ni\n0.000000 0.662897 -0.000000 Ni\n0.000000 0.000000 0.662897 Ni\n0.337103 0.000000 -0.000000 Ni\n0.337103 0.000000 0.662897 Ni\n0.337103 0.662897 -0.000001 Ni\n0.000000 0.337103 0.662897 Ni\n0.000000 0.337103 -0.000000 Ni\n0.000000 0.662897 0.337103 Ni\n0.662897 0.000000 0.337103 Ni\n0.662897 0.337103 -0.000001 Ni\n0.382160 0.382160 0.382160 Ni\n0.853520 0.382160 0.382160 Ni\n0.382161 0.853519 0.382160 Ni\n0.382160 0.382160 0.853519 Ni\n0.617840 0.617839 0.617839 Ni\n0.146480 0.617839 0.617839 Ni\n0.617840 0.146480 0.617839 Ni\n0.617840 0.617839 0.146479 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.337103 Ni\n0.726143 0.273857 0.726142 B\n0.726143 0.726143 0.273856 B\n0.273857 0.726143 0.273856 B\n0.726143 0.273857 0.273857 B\n0.273857 0.273857 0.726143 B\n0.273857 0.726143 0.726142 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"B"
],
"chemical_system": "B-Ga-Ni",
"density": 8.344997213193475,
"density_atomic": 0.10142770326416706,
"volume": 285.9179402344338,
"volume_molar": 5.937372696210439,
"formula_full": "Ga2 Ni21 B6",
"formula_reduced": "Ga2(Ni7B2)3",
"formula_anonymous": "A2B6C21",
"energy_above_hull": 2.106298294827586,
"spacegroup": 225
},
{
"id": "jvasp-117160",
"created_at": "2022-09-04T14:38:45.777458Z",
"updated_at": "2022-09-04T14:38:45.777486Z",
"structure_string": "Mn4 P24 W2\n1.0\n7.797556 0.005506 3.511432\n5.666438 5.356621 3.511432\n-0.000708 -0.000282 10.636550\nMn P W\n4 24 2\ndirect\n0.010870 0.628301 0.045338 Mn\n0.371699 0.989130 0.454661 Mn\n0.989129 0.371700 0.954661 Mn\n0.628301 0.010871 0.545338 Mn\n0.403568 0.050936 0.924280 P\n0.949065 0.596432 0.575719 P\n0.596432 0.949065 0.075719 P\n0.050935 0.403569 0.424280 P\n0.421839 0.701281 0.833207 P\n0.298719 0.578161 0.666792 P\n0.578160 0.298720 0.166792 P\n0.701281 0.421840 0.333207 P\n0.354818 0.002081 0.664090 P\n0.997919 0.645183 0.835910 P\n0.645182 0.997920 0.335910 P\n0.002081 0.354818 0.164090 P\n0.331448 0.436216 0.502582 P\n0.436216 0.331448 0.002582 P\n0.668552 0.563785 0.497417 P\n0.076457 0.989875 0.574563 P\n0.010125 0.923544 0.925436 P\n0.923543 0.010126 0.425436 P\n0.989875 0.076457 0.074563 P\n0.671399 0.023893 0.740550 P\n0.976107 0.328602 0.759449 P\n0.328601 0.976108 0.259449 P\n0.023893 0.671399 0.240551 P\n0.563784 0.668553 0.997417 P\n0.303977 0.696024 0.250000 W\n0.696023 0.303977 0.750000 W\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"P",
"W"
],
"chemical_system": "Mn-P-W",
"density": 4.977622193788016,
"density_atomic": 0.06757413417597558,
"volume": 443.95685369603757,
"volume_molar": 8.911902214414216,
"formula_full": "Mn4 P24 W2",
"formula_reduced": "Mn2P12W",
"formula_anonymous": "AB2C12",
"energy_above_hull": 4.293014032183908,
"spacegroup": 15
}
]
}