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{
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{
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{
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"created_at": "2022-09-04T14:44:29.757622Z",
"structure_string": "Be16 Ru2\n1.0\n2.081236 -3.604807 0.000000\n2.081236 3.604807 0.000000\n0.000000 0.000000 10.978730\nBe Ru\n16 2\ndirect\n0.666667 0.333333 0.656123 Be\n0.666667 0.333333 0.343877 Be\n0.833565 0.166435 0.816788 Be\n0.833565 0.667131 0.816788 Be\n0.332869 0.166435 0.816788 Be\n0.833565 0.166435 0.183212 Be\n0.833565 0.667131 0.183212 Be\n0.332869 0.166435 0.183212 Be\n0.333333 0.666667 0.902969 Be\n0.333333 0.666667 0.097031 Be\n0.495552 0.504448 0.500000 Be\n0.495552 0.991105 0.500000 Be\n0.008895 0.504448 0.500000 Be\n0.666667 0.333333 0.000000 Be\n0.000000 0.000000 0.626400 Be\n0.000000 0.000000 0.373600 Be\n0.333333 0.666667 0.692927 Ru\n0.333333 0.666667 0.307073 Ru\n",
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{
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"structure_string": "Tm1 Pu3\n1.0\n-2.405969 2.405969 4.777842\n2.405969 -2.405969 4.777842\n2.405969 2.405969 -4.777842\nTm Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n",
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"structure_string": "Al84 Pt20\n1.0\n0.000000 9.453615 9.453615\n9.453615 0.000000 9.453615\n9.453615 9.453615 0.000000\nAl Pt\n84 20\ndirect\n0.252438 0.252438 0.915935 Al\n0.252438 0.252438 0.579190 Al\n0.915935 0.579190 0.252438 Al\n0.915935 0.252438 0.252438 Al\n0.579190 0.915935 0.252438 Al\n0.579190 0.252438 0.252438 Al\n0.252438 0.915935 0.579190 Al\n0.252438 0.579190 0.915935 Al\n0.252438 0.915935 0.252438 Al\n0.579190 0.252438 0.915935 Al\n0.915935 0.252438 0.579190 Al\n0.252438 0.579190 0.252438 Al\n0.171847 0.171847 0.171847 Al\n0.171847 0.171847 0.484459 Al\n0.171847 0.484459 0.171847 Al\n0.484459 0.171847 0.171847 Al\n0.802640 0.802640 0.802640 Al\n0.802640 0.802640 0.592081 Al\n0.802640 0.592081 0.802640 Al\n0.592081 0.802640 0.802640 Al\n0.053212 0.053212 0.053212 Al\n0.053212 0.053212 0.840364 Al\n0.053212 0.840364 0.053212 Al\n0.840364 0.053212 0.053212 Al\n0.507890 0.507890 0.803990 Al\n0.507890 0.507890 0.180229 Al\n0.803990 0.180229 0.507890 Al\n0.803990 0.507890 0.507890 Al\n0.180229 0.803990 0.507890 Al\n0.180229 0.507890 0.507890 Al\n0.507890 0.803990 0.180229 Al\n0.507890 0.180229 0.803990 Al\n0.507890 0.803990 0.507890 Al\n0.180229 0.507890 0.803990 Al\n0.803990 0.507890 0.180229 Al\n0.507890 0.180229 0.507890 Al\n0.906251 0.906251 0.906251 Al\n0.906251 0.906251 0.281248 Al\n0.906251 0.281248 0.906251 Al\n0.281248 0.906251 0.906251 Al\n0.757639 0.757639 0.420182 Al\n0.757639 0.757639 0.064540 Al\n0.420182 0.064540 0.757639 Al\n0.420182 0.757639 0.757639 Al\n0.064540 0.420182 0.757639 Al\n0.064540 0.757639 0.757639 Al\n0.757639 0.420182 0.064540 Al\n0.757639 0.064540 0.420182 Al\n0.757639 0.420182 0.757639 Al\n0.064540 0.757639 0.420182 Al\n0.420182 0.757639 0.064540 Al\n0.757639 0.064540 0.757639 Al\n0.554441 0.554441 0.554441 Al\n0.554441 0.554441 0.336676 Al\n0.554441 0.336676 0.554441 Al\n0.336676 0.554441 0.554441 Al\n0.326939 0.326939 0.326939 Al\n0.326939 0.326939 0.019183 Al\n0.326939 0.019183 0.326939 Al\n0.019183 0.326939 0.326939 Al\n0.930325 0.569675 0.569675 Al\n0.569675 0.930325 0.930325 Al\n0.569675 0.930325 0.569675 Al\n0.930325 0.569675 0.930325 Al\n0.569675 0.569675 0.930325 Al\n0.930325 0.930325 0.569675 Al\n0.010812 0.010812 0.320219 Al\n0.010812 0.010812 0.658158 Al\n0.320219 0.658158 0.010812 Al\n0.320219 0.010812 0.010812 Al\n0.658158 0.320219 0.010812 Al\n0.658158 0.010812 0.010812 Al\n0.010812 0.320219 0.658158 Al\n0.010812 0.658158 0.320219 Al\n0.010812 0.320219 0.010812 Al\n0.658158 0.010812 0.320219 Al\n0.320219 0.010812 0.658158 Al\n0.010812 0.658158 0.010812 Al\n0.675465 0.324535 0.324535 Al\n0.324535 0.675465 0.675465 Al\n0.324535 0.675465 0.324535 Al\n0.675465 0.324535 0.675465 Al\n0.324535 0.324535 0.675465 Al\n0.675465 0.675465 0.324535 Al\n0.658068 0.658068 0.658068 Pt\n0.658068 0.658068 0.025795 Pt\n0.658068 0.025795 0.658068 Pt\n0.025795 0.658068 0.658068 Pt\n0.419567 0.419567 0.419567 Pt\n0.419567 0.419567 0.741300 Pt\n0.419567 0.741300 0.419567 Pt\n0.741300 0.419567 0.419567 Pt\n0.408305 0.091695 0.091695 Pt\n0.091695 0.408305 0.408305 Pt\n0.091695 0.408305 0.091695 Pt\n0.408305 0.091695 0.408305 Pt\n0.091695 0.091695 0.408305 Pt\n0.408305 0.408305 0.091695 Pt\n0.833783 0.166217 0.166217 Pt\n0.166217 0.833783 0.833783 Pt\n0.166217 0.833783 0.166217 Pt\n0.833783 0.166217 0.833783 Pt\n0.166217 0.166217 0.833783 Pt\n0.833783 0.833783 0.166217 Pt\n",
"nsites": 104,
"nelements": 2,
"elements": [
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],
"chemical_system": "Al-Pt",
"density": 6.0614821695657914,
"density_atomic": 0.06154738546184791,
"volume": 1689.7549622878405,
"volume_molar": 9.784559839236412,
"formula_full": "Al84 Pt20",
"formula_reduced": "Al21Pt5",
"formula_anonymous": "A5B21",
"energy": -459.45755455,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -459.45755455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4242028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.208000Z",
"spacegroup": 216
},
{
"id": "mp-1078253",
"created_at": "2022-09-04T14:46:11.261587Z",
"structure_string": "Mn2 B8\n1.0\n2.948182 0.000000 0.000000\n0.000000 4.614878 0.000000\n0.000000 0.000000 5.365821\nMn B\n2 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.334876 0.868757 B\n0.500000 0.165124 0.368757 B\n0.000000 0.665124 0.131243 B\n0.500000 0.834876 0.631243 B\n0.000000 0.264412 0.183508 B\n0.500000 0.235588 0.683508 B\n0.000000 0.735588 0.816492 B\n0.500000 0.764412 0.316492 B\n",
"nsites": 10,
"nelements": 2,
"elements": [
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],
"chemical_system": "B-Mn",
"density": 4.466429376007141,
"density_atomic": 0.13697752173632746,
"volume": 73.00467896659227,
"volume_molar": 4.396444528754299,
"formula_full": "Mn2 B8",
"formula_reduced": "MnB4",
"formula_anonymous": "AB4",
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"is_stable": null,
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"updated_at": "2021-11-28T01:37:21.232000Z",
"spacegroup": 58
}
]
}