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{
"id": "mp-685129",
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"structure_string": "Co34 Se40\n1.0\n-10.352740 0.000000 0.000000\n5.132607 9.435096 0.000000\n-0.155121 -4.080553 -11.679698\nCo Se\n34 40\ndirect\n0.903523 0.304033 0.194747 Co\n0.902118 0.303196 0.705809 Co\n0.055083 0.112761 0.388918 Co\n0.299997 0.101057 0.400404 Co\n0.031503 0.091241 0.893030 Co\n0.299583 0.099347 0.900127 Co\n0.455235 0.910804 0.589233 Co\n0.700003 0.898943 0.599596 Co\n0.429212 0.888920 0.090716 Co\n0.599458 0.699291 0.799728 Co\n0.700417 0.900653 0.099873 Co\n0.769209 0.509735 0.506046 Co\n0.853787 0.707276 0.786086 Co\n0.753216 0.489315 0.006167 Co\n0.096477 0.695967 0.805253 Co\n0.833332 0.695476 0.294830 Co\n0.097882 0.696804 0.294191 Co\n0.166668 0.304524 0.705170 Co\n0.246784 0.510685 0.993833 Co\n0.146213 0.292724 0.213914 Co\n0.500000 0.500000 0.000000 Co\n0.230791 0.490265 0.493954 Co\n0.400542 0.300709 0.200272 Co\n0.500000 0.500000 0.500000 Co\n0.570788 0.111080 0.909284 Co\n0.654722 0.305977 0.185157 Co\n0.544765 0.089196 0.410767 Co\n0.631588 0.295772 0.695648 Co\n0.800155 0.100575 0.400549 Co\n0.968497 0.908759 0.106970 Co\n0.944917 0.887239 0.611082 Co\n0.199845 0.899425 0.599451 Co\n0.368412 0.704228 0.304352 Co\n0.345278 0.694023 0.814843 Co\n0.619726 0.500587 0.165083 Se\n0.014701 0.302706 0.367564 Se\n0.169292 0.095831 0.734355 Se\n0.330276 0.897339 0.268763 Se\n0.416734 0.100989 0.567433 Se\n0.326162 0.900020 0.767678 Se\n0.472202 0.698948 0.632333 Se\n0.571131 0.899059 0.936062 Se\n0.729796 0.698486 0.469606 Se\n0.815900 0.900741 0.766859 Se\n0.470543 0.701170 0.129834 Se\n0.628993 0.502647 0.663269 Se\n0.727851 0.702282 0.967850 Se\n0.861646 0.497040 0.830182 Se\n0.966643 0.697488 0.134892 Se\n0.130838 0.498085 0.671563 Se\n0.213427 0.697442 0.969190 Se\n0.869162 0.501915 0.328437 Se\n0.033357 0.302512 0.865108 Se\n0.138354 0.502960 0.169818 Se\n0.272149 0.297718 0.032150 Se\n0.371007 0.497353 0.336731 Se\n0.529457 0.298830 0.870166 Se\n0.184100 0.099259 0.233141 Se\n0.270204 0.301514 0.530394 Se\n0.428869 0.100941 0.063938 Se\n0.527798 0.301052 0.367667 Se\n0.673838 0.099980 0.232322 Se\n0.768538 0.297792 0.536242 Se\n0.930863 0.099198 0.068885 Se\n0.583266 0.899011 0.432567 Se\n0.669724 0.102661 0.731237 Se\n0.830708 0.904169 0.265645 Se\n0.928339 0.102740 0.568296 Se\n0.071661 0.897260 0.431704 Se\n0.985299 0.697294 0.632436 Se\n0.069137 0.900802 0.931115 Se\n0.231462 0.702208 0.463758 Se\n0.380274 0.499413 0.834917 Se\n0.786573 0.302558 0.030810 Se\n",
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{
"id": "mp-1078666",
"created_at": "2022-09-04T14:44:57.683544Z",
"structure_string": "Ga2 Pt6\n1.0\n5.585850 0.000000 0.000000\n0.000000 5.585850 0.000000\n0.000000 0.000000 3.937550\nGa Pt\n2 6\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.762549 0.262549 0.000000 Pt\n0.237451 0.737451 0.000000 Pt\n0.262549 0.237451 0.000000 Pt\n0.737451 0.762549 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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{
"id": "mp-1079395",
"created_at": "2022-09-04T14:45:05.276405Z",
"structure_string": "Ce4 Ge4\n1.0\n4.071253 0.000000 0.000000\n0.000000 5.933556 0.000000\n0.000000 0.000000 8.206919\nCe Ge\n4 4\ndirect\n0.250000 0.379782 0.681619 Ce\n0.250000 0.120218 0.181619 Ce\n0.750000 0.620218 0.318381 Ce\n0.750000 0.879782 0.818381 Ce\n0.250000 0.859872 0.538725 Ge\n0.250000 0.640128 0.038725 Ge\n0.750000 0.140128 0.461275 Ge\n0.750000 0.359872 0.961275 Ge\n",
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{
"id": "mp-1204219",
"created_at": "2022-09-04T14:45:04.898875Z",
"structure_string": "Dy42 Ir28\n1.0\n-5.630647 5.630647 12.627791\n5.630647 -5.630647 12.627791\n5.630647 5.630647 -12.627791\nDy Ir\n42 28\ndirect\n0.632125 0.503731 0.279176 Dy\n0.224555 0.352949 0.720824 Dy\n0.132125 0.852949 0.128394 Dy\n0.724555 0.003731 0.871606 Dy\n0.352949 0.632125 0.128394 Dy\n0.503731 0.224555 0.871606 Dy\n0.003731 0.132125 0.279176 Dy\n0.852949 0.724555 0.720824 Dy\n0.367875 0.496269 0.720824 Dy\n0.775445 0.647051 0.279176 Dy\n0.867875 0.147051 0.871606 Dy\n0.275445 0.996269 0.128394 Dy\n0.647051 0.367875 0.871606 Dy\n0.496269 0.775445 0.128394 Dy\n0.996269 0.867875 0.720824 Dy\n0.147051 0.275445 0.279176 Dy\n0.385869 0.516733 0.290083 Dy\n0.226650 0.095786 0.709917 Dy\n0.885869 0.595786 0.869136 Dy\n0.726650 0.016733 0.130864 Dy\n0.095786 0.385869 0.869136 Dy\n0.516733 0.226650 0.130864 Dy\n0.016733 0.885869 0.290083 Dy\n0.595786 0.726650 0.709917 Dy\n0.614131 0.483267 0.709917 Dy\n0.773350 0.904214 0.290083 Dy\n0.114131 0.404214 0.130864 Dy\n0.273350 0.983267 0.869136 Dy\n0.904214 0.614131 0.130864 Dy\n0.483267 0.773350 0.869136 Dy\n0.983267 0.114131 0.709917 Dy\n0.404214 0.273350 0.290083 Dy\n0.850531 0.350531 0.201062 Dy\n0.149469 0.649469 0.798938 Dy\n0.350531 0.149469 0.500000 Dy\n0.649469 0.850531 0.500000 Dy\n0.387756 0.887756 0.500000 Dy\n0.887756 0.387756 0.500000 Dy\n0.612244 0.112244 0.500000 Dy\n0.112244 0.612244 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.750000 0.250000 0.500000 Dy\n0.714927 0.214927 0.141783 Ir\n0.073145 0.573145 0.858217 Ir\n0.214927 0.073145 0.500000 Ir\n0.573145 0.714927 0.500000 Ir\n0.285073 0.785073 0.858217 Ir\n0.926855 0.426855 0.141783 Ir\n0.785073 0.926855 0.500000 Ir\n0.426855 0.285073 0.500000 Ir\n0.465408 0.965408 0.807794 Ir\n0.157614 0.657614 0.192206 Ir\n0.965408 0.157614 0.500000 Ir\n0.657614 0.465408 0.500000 Ir\n0.534592 0.034592 0.192206 Ir\n0.842386 0.342386 0.807794 Ir\n0.034592 0.842386 0.500000 Ir\n0.342386 0.534592 0.500000 Ir\n0.596783 0.096783 0.693566 Ir\n0.403217 0.903217 0.306434 Ir\n0.096783 0.403217 0.500000 Ir\n0.903217 0.596783 0.500000 Ir\n0.366069 0.366069 0.000000 Ir\n0.866069 0.866069 0.000000 Ir\n0.633931 0.633931 0.000000 Ir\n0.133931 0.133931 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.750000 0.750000 0.000000 Ir\n",
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{
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"structure_string": "Y12 Ir4\n1.0\n6.431889 0.000000 0.000000\n0.000000 7.286326 0.000000\n0.000000 0.000000 9.272045\nY Ir\n12 4\ndirect\n0.631376 0.036183 0.250000 Y\n0.368624 0.963817 0.750000 Y\n0.131376 0.463817 0.750000 Y\n0.868624 0.536183 0.250000 Y\n0.172211 0.177117 0.063410 Y\n0.827789 0.822883 0.936590 Y\n0.672211 0.322883 0.936590 Y\n0.827789 0.822883 0.563410 Y\n0.327789 0.677117 0.063410 Y\n0.172211 0.177117 0.436590 Y\n0.327789 0.677117 0.436590 Y\n0.672211 0.322883 0.563410 Y\n0.456854 0.383314 0.250000 Ir\n0.543146 0.616686 0.750000 Ir\n0.956854 0.116686 0.750000 Ir\n0.043146 0.883314 0.250000 Ir\n",
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{
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{
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{
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{
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{
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"structure_string": "Sm1 Ga2\n1.0\n2.128641 -3.686915 0.000000\n2.128641 3.686915 0.000000\n0.000000 0.000000 4.232391\nSm Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
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"elements": [
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],
"chemical_system": "Ga-Sm",
"density": 7.24394499696331,
"density_atomic": 0.04515854376150221,
"volume": 66.43261164142119,
"volume_molar": 13.3355512786351,
"formula_full": "Sm1 Ga2",
"formula_reduced": "SmGa2",
"formula_anonymous": "AB2",
"energy": -12.828753,
"energy_per_atom": -4.276251,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -12.828753,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:42.552000Z",
"spacegroup": 191
},
{
"id": "mp-1104594",
"created_at": "2022-09-04T14:45:04.580012Z",
"structure_string": "B10 Mo4\n1.0\n-1.953331 -3.381415 0.000000\n-1.953331 3.381415 0.000000\n0.000000 0.000000 -10.296860\nB Mo\n10 4\ndirect\n0.666655 0.333345 0.838234 B\n0.333345 0.666655 0.161766 B\n0.333345 0.666655 0.338234 B\n0.666655 0.333345 0.661766 B\n0.500000 0.000000 0.500000 B\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 B\n0.000000 0.500000 0.000000 B\n0.000092 0.999908 0.866896 Mo\n0.999908 0.000092 0.133104 Mo\n0.999908 0.000092 0.366896 Mo\n0.000092 0.999908 0.633104 Mo\n",
"nsites": 14,
"nelements": 2,
"elements": [
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],
"chemical_system": "B-Mo",
"density": 6.004686131047063,
"density_atomic": 0.10292453526052493,
"volume": 136.02198897049067,
"volume_molar": 5.851025457396158,
"formula_full": "B10 Mo4",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy": -104.19287617,
"energy_per_atom": -7.442348297857143,
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"is_stable": null,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:36:46.978000Z",
"spacegroup": 194
},
{
"id": "mp-1184498",
"created_at": "2022-09-04T14:45:08.704771Z",
"structure_string": "Gd3 Ho1\n1.0\n-2.510465 2.510465 5.043550\n2.510465 -2.510465 5.043550\n2.510465 2.510465 -5.043550\nGd Ho\n3 1\ndirect\n0.750000 0.250000 0.500000 Gd\n0.250000 0.750000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.000000 0.000000 0.000000 Ho\n",
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"elements": [
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"Ho"
],
"chemical_system": "Gd-Ho",
"density": 8.315069038557995,
"density_atomic": 0.03145975436879771,
"volume": 127.14657441722638,
"volume_molar": 19.14236420730881,
"formula_full": "Gd3 Ho1",
"formula_reduced": "Gd3Ho",
"formula_anonymous": "AB3",
"energy": -46.67234369,
"energy_per_atom": -11.6680859225,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 22.0685841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.529000Z",
"spacegroup": 139
}
]
}