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{
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"results": [
{
"id": "mp-188",
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{
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"structure_string": "Al42 Pt16\n1.0\n-6.524115 6.524115 5.382609\n6.524115 -6.524115 5.382609\n6.524115 6.524115 -5.382609\nAl Pt\n42 16\ndirect\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Al\n0.189418 0.046628 0.036667 Al\n0.296628 0.759961 0.357209 Al\n0.402752 0.939418 0.642791 Al\n0.009961 0.152752 0.963333 Al\n0.060582 0.703372 0.463333 Al\n0.953372 0.990039 0.142791 Al\n0.847248 0.810582 0.857209 Al\n0.240039 0.597248 0.536667 Al\n0.140372 0.303649 0.340469 Al\n0.553649 0.713180 0.663277 Al\n0.049903 0.890372 0.336723 Al\n0.963180 0.799903 0.659531 Al\n0.109628 0.446351 0.159531 Al\n0.696351 0.036820 0.836723 Al\n0.200097 0.859628 0.163277 Al\n0.286820 0.950097 0.840469 Al\n0.265196 0.255732 0.572025 Al\n0.505732 0.433707 0.490536 Al\n0.943171 0.015196 0.509464 Al\n0.683707 0.693171 0.427975 Al\n0.984804 0.494268 0.927975 Al\n0.744268 0.316293 0.009464 Al\n0.306829 0.734804 0.990536 Al\n0.566293 0.056829 0.072025 Al\n0.489160 0.261195 0.791373 Al\n0.511195 0.219822 0.272035 Al\n0.947787 0.239160 0.727965 Al\n0.469822 0.697787 0.208627 Al\n0.760840 0.488805 0.708627 Al\n0.738805 0.530178 0.227965 Al\n0.302213 0.510840 0.772035 Al\n0.780178 0.052213 0.291373 Al\n0.202702 0.180318 0.837811 Al\n0.430318 0.092506 0.477616 Al\n0.614890 0.952702 0.522384 Al\n0.342506 0.364890 0.162189 Al\n0.047298 0.569682 0.662189 Al\n0.819682 0.657494 0.022384 Al\n0.635110 0.797298 0.977616 Al\n0.907494 0.385110 0.337811 Al\n0.035085 0.311667 0.537619 Pt\n0.561667 0.524048 0.776582 Pt\n0.747466 0.785085 0.223418 Pt\n0.774048 0.497466 0.462381 Pt\n0.214915 0.438333 0.962381 Pt\n0.688333 0.225952 0.723418 Pt\n0.502534 0.964915 0.276582 Pt\n0.475952 0.252534 0.037619 Pt\n0.993489 0.609900 0.186778 Pt\n0.859900 0.173122 0.116410 Pt\n0.056712 0.743489 0.883590 Pt\n0.423122 0.806712 0.813222 Pt\n0.256511 0.140100 0.313222 Pt\n0.390100 0.576878 0.383590 Pt\n0.193288 0.006511 0.616410 Pt\n0.826878 0.943288 0.686778 Pt\n",
"nsites": 58,
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"elements": [
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"density": 7.709187174488175,
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"formula_full": "Al42 Pt16",
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"updated_at": "2021-11-28T01:35:55.507000Z",
"spacegroup": 88
},
{
"id": "mp-1080448",
"created_at": "2022-09-04T14:48:17.241150Z",
"structure_string": "Al2 Pt6\n1.0\n-2.764406 2.764406 3.953202\n2.764406 -2.764406 3.953202\n2.764406 2.764406 -3.953202\nAl Pt\n2 6\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.750000 0.000000 Pt\n0.250000 0.250000 0.000000 Pt\n0.220136 0.720136 0.940272 Pt\n0.779864 0.279864 0.059728 Pt\n0.720136 0.779864 0.500000 Pt\n0.279864 0.220136 0.500000 Pt\n",
"nsites": 8,
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"formula_full": "Al2 Pt6",
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"updated_at": "2021-11-28T01:38:38.816000Z",
"spacegroup": 140
},
{
"id": "mp-1501",
"created_at": "2022-09-04T14:41:47.546504Z",
"structure_string": "Al6 Pt10\n1.0\n4.005285 0.000000 0.000000\n0.000000 5.467908 0.000000\n0.000000 0.000000 10.893044\nAl Pt\n6 10\ndirect\n0.500000 0.181425 0.639918 Al\n0.500000 0.818575 0.360082 Al\n0.500000 0.681425 0.860082 Al\n0.500000 0.318575 0.139918 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.292922 0.392753 Pt\n0.500000 0.707078 0.607247 Pt\n0.500000 0.792922 0.107247 Pt\n0.500000 0.207078 0.892753 Pt\n0.000000 0.428609 0.730918 Pt\n0.000000 0.571391 0.269082 Pt\n0.000000 0.928609 0.769082 Pt\n0.000000 0.071391 0.230918 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Al-Pt",
"density": 14.705813634424604,
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"volume": 238.56343575626087,
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"formula_full": "Al6 Pt10",
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"energy": -97.7090517,
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"updated_at": "2021-11-28T01:35:25.057000Z",
"spacegroup": 55
},
{
"id": "mp-607111",
"created_at": "2022-09-04T14:42:10.483510Z",
"structure_string": "Al4 Pt12\n1.0\n5.518264 0.000000 0.000000\n0.000000 5.518264 0.000000\n0.000000 0.000000 7.948354\nAl Pt\n4 12\ndirect\n0.500000 0.000000 0.242066 Al\n0.000000 0.500000 0.242066 Al\n0.500000 0.000000 0.757934 Al\n0.000000 0.500000 0.757934 Al\n0.278162 0.221838 0.000000 Pt\n0.778162 0.278162 0.000000 Pt\n0.221838 0.721838 0.000000 Pt\n0.721838 0.778162 0.000000 Pt\n0.000000 0.000000 0.252158 Pt\n0.500000 0.500000 0.252158 Pt\n0.696287 0.196287 0.500000 Pt\n0.196287 0.303713 0.500000 Pt\n0.803713 0.696287 0.500000 Pt\n0.303713 0.803713 0.500000 Pt\n0.000000 0.000000 0.747842 Pt\n0.500000 0.500000 0.747842 Pt\n",
"nsites": 16,
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"elements": [
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"density": 16.801345274735812,
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"volume": 242.0372159738369,
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"formula_full": "Al4 Pt12",
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"updated_at": "2021-11-28T01:35:40.330000Z",
"spacegroup": 127
},
{
"id": "mp-1502",
"created_at": "2022-09-04T14:45:58.607079Z",
"structure_string": "Al2 Pt1\n1.0\n0.000000 2.974377 2.974377\n2.974377 0.000000 2.974377\n2.974377 2.974377 0.000000\nAl Pt\n2 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Pt\n",
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"formula_full": "Al2 Pt1",
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"updated_at": "2021-11-28T01:37:20.408000Z",
"spacegroup": 225
},
{
"id": "mp-1215027",
"created_at": "2022-09-04T14:44:52.988316Z",
"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,
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"formula_full": "Al84 Pt20",
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{
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"structure_string": "Al3 Pt2\n1.0\n2.119356 -3.670833 0.000000\n2.119356 3.670833 0.000000\n0.000000 0.000000 5.236893\nAl Pt\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.646819 Al\n0.666667 0.333333 0.353181 Al\n0.333333 0.666667 0.166903 Pt\n0.666667 0.333333 0.833097 Pt\n",
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{
"id": "mp-1079182",
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"structure_string": "Al2 Pt6\n1.0\n5.534439 0.000000 0.000000\n0.000000 5.534439 0.000000\n0.000000 0.000000 3.941753\nAl Pt\n2 6\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.763086 0.263086 0.000000 Pt\n0.236914 0.736914 0.000000 Pt\n0.263086 0.236914 0.000000 Pt\n0.736914 0.763086 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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{
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"structure_string": "Al1 Re2\n1.0\n-1.502401 1.502401 4.830269\n1.502401 -1.502401 4.830269\n1.502401 1.502401 -4.830269\nAl Re\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.331135 0.331135 0.000000 Re\n0.668865 0.668865 0.000000 Re\n",
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"formula_full": "Al1 Re2",
"formula_reduced": "AlRe2",
"formula_anonymous": "AB2",
"energy": -29.42332618,
"energy_per_atom": -9.807775393333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.42332618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023371,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.682000Z",
"spacegroup": 139
},
{
"id": "mp-1648",
"created_at": "2022-09-04T14:39:22.150775Z",
"structure_string": "Al12 Re1\n1.0\n-3.768362 3.768362 3.768362\n3.768362 -3.768362 3.768362\n3.768362 3.768362 -3.768362\nAl Re\n12 1\ndirect\n0.691745 0.879718 0.187973 Al\n0.812027 0.308255 0.120282 Al\n0.503771 0.812027 0.691745 Al\n0.812027 0.691745 0.503771 Al\n0.496229 0.187973 0.308255 Al\n0.187973 0.691745 0.879718 Al\n0.879718 0.187973 0.691745 Al\n0.120282 0.812027 0.308255 Al\n0.187973 0.308255 0.496229 Al\n0.691745 0.503771 0.812027 Al\n0.308255 0.496229 0.187973 Al\n0.308255 0.120282 0.812027 Al\n0.000000 0.000000 0.000000 Re\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Al",
"Re"
],
"chemical_system": "Al-Re",
"density": 3.956298541354384,
"density_atomic": 0.06073310900346467,
"volume": 214.0512846009313,
"volume_molar": 9.915745890197144,
"formula_full": "Al12 Re1",
"formula_reduced": "Al12Re",
"formula_anonymous": "AB12",
"energy": -59.255638,
"energy_per_atom": -4.558126,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.255638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.746000Z",
"spacegroup": 204
},
{
"id": "mp-1228815",
"created_at": "2022-09-04T14:45:21.772233Z",
"structure_string": "Al2 Re2\n1.0\n3.101512 0.000000 0.000000\n0.000000 3.101512 0.000000\n0.000000 0.000000 5.995543\nAl Re\n2 2\ndirect\n0.500000 0.000000 0.371979 Al\n0.000000 0.500000 0.628021 Al\n0.500000 0.000000 0.865168 Re\n0.000000 0.500000 0.134832 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Re"
],
"chemical_system": "Al-Re",
"density": 12.276299972751703,
"density_atomic": 0.06935607979578637,
"volume": 57.67338655497386,
"volume_molar": 8.6829312984986,
"formula_full": "Al2 Re2",
"formula_reduced": "AlRe",
"formula_anonymous": "AB",
"energy": -33.64332561,
"energy_per_atom": -8.4108314025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.64332561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.356000Z",
"spacegroup": 129
}
]
}