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{
"id": "mp-1182870",
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"structure_string": "Al4 Pt12\n1.0\n6.578427 0.000000 0.000000\n0.000000 6.578427 0.000000\n0.000000 0.000000 5.760983\nAl Pt\n4 12\ndirect\n0.000000 0.500000 0.244905 Al\n0.500000 0.000000 0.755095 Al\n0.500000 0.000000 0.244905 Al\n0.000000 0.500000 0.755095 Al\n0.736823 0.236823 0.000000 Pt\n0.000000 0.000000 0.251129 Pt\n0.222211 0.722211 0.500000 Pt\n0.277789 0.222211 0.500000 Pt\n0.263177 0.763177 0.000000 Pt\n0.722211 0.777789 0.500000 Pt\n0.777789 0.277789 0.500000 Pt\n0.763177 0.736823 0.000000 Pt\n0.500000 0.500000 0.251129 Pt\n0.000000 0.000000 0.748871 Pt\n0.236823 0.263177 0.000000 Pt\n0.500000 0.500000 0.748871 Pt\n",
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{
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"structure_string": "Al4 Pt8\n1.0\n4.116451 0.000000 0.000000\n0.000000 5.470933 0.000000\n0.000000 0.000000 7.980324\nAl Pt\n4 8\ndirect\n0.750000 0.809023 0.896447 Al\n0.250000 0.190977 0.103553 Al\n0.750000 0.309023 0.603553 Al\n0.250000 0.690977 0.396447 Al\n0.750000 0.456521 0.290443 Pt\n0.250000 0.543479 0.709557 Pt\n0.750000 0.956521 0.209557 Pt\n0.250000 0.043479 0.790443 Pt\n0.750000 0.339074 0.931249 Pt\n0.250000 0.660926 0.068751 Pt\n0.750000 0.839074 0.568751 Pt\n0.250000 0.160926 0.431249 Pt\n",
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},
{
"id": "mp-16960",
"created_at": "2022-09-04T14:45:11.060940Z",
"structure_string": "Al8 Pt16\n1.0\n3.959625 0.000000 0.000000\n0.000000 5.510455 0.000000\n0.000000 0.000000 16.498189\nAl Pt\n8 16\ndirect\n0.000000 0.203694 0.750000 Al\n0.000000 0.796306 0.250000 Al\n0.000000 0.687318 0.591570 Al\n0.000000 0.312682 0.408430 Al\n0.000000 0.687318 0.908430 Al\n0.000000 0.312682 0.091570 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.054209 0.343601 Pt\n0.500000 0.945791 0.656399 Pt\n0.500000 0.558509 0.167577 Pt\n0.500000 0.441491 0.832423 Pt\n0.500000 0.558509 0.332423 Pt\n0.500000 0.441491 0.667577 Pt\n0.000000 0.275361 0.250000 Pt\n0.000000 0.724639 0.750000 Pt\n0.500000 0.945791 0.843601 Pt\n0.500000 0.054209 0.156399 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.200611 0.569011 Pt\n0.000000 0.799389 0.430989 Pt\n0.000000 0.200611 0.930989 Pt\n0.000000 0.799389 0.069011 Pt\n",
"nsites": 24,
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"elements": [
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"volume": 359.9795189433155,
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"formula_full": "Al8 Pt16",
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},
{
"id": "mp-1079182",
"created_at": "2022-09-04T14:41:22.615730Z",
"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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"elements": [
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},
{
"id": "mp-188",
"created_at": "2022-09-04T14:40:41.239474Z",
"structure_string": "Al1 Pt3\n1.0\n3.922808 0.000000 0.000000\n0.000000 3.922808 0.000000\n0.000000 0.000000 3.922808\nAl Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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"elements": [
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"density": 16.84127848768392,
"density_atomic": 0.06626265519406896,
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"updated_at": "2021-11-28T01:35:07.656000Z",
"spacegroup": 221
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{
"id": "mp-1982",
"created_at": "2022-09-04T14:42:50.568479Z",
"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",
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"elements": [
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"formula_full": "Al42 Pt16",
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"energy": -298.33182143,
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"spacegroup": 88
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{
"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",
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{
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"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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{
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"structure_string": "Al4 Pt4\n1.0\n4.917449 0.000000 0.000000\n0.000000 4.917449 0.000000\n0.000000 0.000000 4.917449\nAl Pt\n4 4\ndirect\n0.844017 0.844017 0.844017 Al\n0.655983 0.155983 0.344017 Al\n0.344017 0.655983 0.155983 Al\n0.155983 0.344017 0.655983 Al\n0.154867 0.154867 0.154867 Pt\n0.345133 0.845133 0.654867 Pt\n0.654867 0.345133 0.845133 Pt\n0.845133 0.654867 0.345133 Pt\n",
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{
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"created_at": "2022-09-04T14:42:02.622207Z",
"structure_string": "Al5 Re24\n1.0\n-4.813719 4.813719 4.813719\n4.813719 -4.813719 4.813719\n4.813719 4.813719 -4.813719\nAl Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Al\n0.641006 0.000000 0.000000 Al\n0.000000 0.641006 0.000000 Al\n0.000000 0.000000 0.641006 Al\n0.358994 0.358994 0.358994 Al\n0.398531 0.680373 0.000000 Re\n0.718158 0.319627 0.319627 Re\n0.398531 0.000000 0.680373 Re\n0.680373 0.398531 0.000000 Re\n0.000000 0.398531 0.680373 Re\n0.319627 0.718158 0.319627 Re\n0.319627 0.319627 0.718158 Re\n0.000000 0.680373 0.398531 Re\n0.680373 0.000000 0.398531 Re\n0.601469 0.601469 0.281842 Re\n0.281842 0.601469 0.601469 Re\n0.601469 0.281842 0.601469 Re\n0.374914 0.191604 0.000000 Re\n0.183310 0.808396 0.808396 Re\n0.374914 0.000000 0.191604 Re\n0.191604 0.374914 0.000000 Re\n0.000000 0.374914 0.191604 Re\n0.808396 0.183310 0.808396 Re\n0.808396 0.808396 0.183310 Re\n0.000000 0.191604 0.374914 Re\n0.191604 0.000000 0.374914 Re\n0.625086 0.625086 0.816690 Re\n0.816690 0.625086 0.625086 Re\n0.625086 0.816690 0.625086 Re\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Al",
"Re"
],
"chemical_system": "Al-Re",
"density": 17.13446270784569,
"density_atomic": 0.06499737270315166,
"volume": 446.1718803996183,
"volume_molar": 9.265206437656504,
"formula_full": "Al5 Re24",
"formula_reduced": "Al5Re24",
"formula_anonymous": "A5B24",
"energy": -319.57021094,
"energy_per_atom": -11.019662446206896,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.57021094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0101838,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.742000Z",
"spacegroup": 217
},
{
"id": "mp-10909",
"created_at": "2022-09-04T14:44:04.911748Z",
"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",
"nsites": 3,
"nelements": 2,
"elements": [
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"Re"
],
"chemical_system": "Al-Re",
"density": 15.207200431275773,
"density_atomic": 0.0687888767476008,
"volume": 43.611702092586256,
"volume_molar": 8.754526959491367,
"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-16528",
"created_at": "2022-09-04T14:42:22.488981Z",
"structure_string": "Al12 Re2\n1.0\n3.314902 -3.821402 0.000000\n3.314902 3.821402 0.000000\n0.000000 0.000000 9.033693\nAl Re\n12 2\ndirect\n0.674805 0.325195 0.500000 Al\n0.674805 0.325195 0.000000 Al\n0.325195 0.674805 0.500000 Al\n0.325195 0.674805 0.000000 Al\n0.870997 0.870997 0.898771 Al\n0.129003 0.129003 0.101229 Al\n0.870997 0.870997 0.601229 Al\n0.129003 0.129003 0.398770 Al\n0.609875 0.968945 0.250000 Al\n0.031055 0.390125 0.750000 Al\n0.390125 0.031055 0.750000 Al\n0.968945 0.609875 0.250000 Al\n0.546158 0.546158 0.750000 Re\n0.453842 0.453842 0.250000 Re\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Al",
"Re"
],
"chemical_system": "Al-Re",
"density": 5.0511430902639285,
"density_atomic": 0.061170114342852216,
"volume": 228.86993346998563,
"volume_molar": 9.844906822057778,
"formula_full": "Al12 Re2",
"formula_reduced": "Al6Re",
"formula_anonymous": "AB6",
"energy": -72.7172626,
"energy_per_atom": -5.194090185714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.7172626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040548,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.054000Z",
"spacegroup": 63
}
]
}