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{
"id": "mp-1093792",
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{
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{
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{
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"structure_string": "Zr1 Zn2 Au1\n1.0\n-5.347699 5.589780 7.917960\n5.347699 -5.589780 7.917960\n5.347699 5.589780 -7.917960\nZr Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.264185 0.264185 Zn\n0.000000 0.735815 0.735815 Zn\n0.000000 0.500000 0.500000 Au\n",
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{
"id": "mp-1097444",
"created_at": "2022-09-04T14:45:16.801074Z",
"structure_string": "Ti1 Cd1 Rh2\n1.0\n-4.842857 5.493734 7.768107\n4.842857 -5.493734 7.768107\n4.842857 5.493734 -7.768107\nTi Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.213337 0.213337 Rh\n0.000000 0.786663 0.786663 Rh\n",
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{
"id": "mp-1203666",
"created_at": "2022-09-04T14:45:26.477297Z",
"structure_string": "Li4 B4 H24 O4\n1.0\n-5.576711 0.000000 2.930635\n0.000000 -6.350813 0.000000\n5.590328 0.000000 7.195236\nLi B H O\n4 4 24 4\ndirect\n0.629685 0.080428 0.136984 Li\n0.870315 0.580428 0.363016 Li\n0.370315 0.919572 0.863016 Li\n0.129685 0.419572 0.636984 Li\n0.030111 0.089626 0.737957 B\n0.469889 0.589626 0.762043 B\n0.969889 0.910374 0.262043 B\n0.530111 0.410374 0.237957 B\n0.910077 0.781399 0.616699 H\n0.589923 0.281399 0.883301 H\n0.089923 0.218601 0.383301 H\n0.410077 0.718601 0.116699 H\n0.746182 0.601285 0.625428 H\n0.753818 0.101285 0.874572 H\n0.253818 0.398715 0.374572 H\n0.246182 0.898715 0.125427 H\n0.035393 0.964387 0.841009 H\n0.464607 0.464387 0.658991 H\n0.964607 0.035613 0.158991 H\n0.535393 0.535613 0.341009 H\n0.902193 0.034383 0.627508 H\n0.597807 0.534383 0.872492 H\n0.097807 0.965617 0.372492 H\n0.402193 0.465617 0.127508 H\n0.209360 0.105928 0.703125 H\n0.290640 0.605928 0.796875 H\n0.790640 0.894072 0.296875 H\n0.709360 0.394072 0.203125 H\n0.973371 0.261493 0.778961 H\n0.526629 0.761493 0.721039 H\n0.026629 0.738507 0.221039 H\n0.473371 0.238507 0.278961 H\n0.879060 0.632258 0.586769 O\n0.620940 0.132258 0.913231 O\n0.120940 0.367742 0.413231 O\n0.379060 0.867742 0.086769 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "B-H-Li-O",
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"density_atomic": 0.1003126817077359,
"volume": 358.87785459556466,
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"formula_full": "Li4 B4 H24 O4",
"formula_reduced": "LiBH6O",
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"energy": -159.12840931,
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"spacegroup": 14
},
{
"id": "mp-1097184",
"created_at": "2022-09-04T14:46:35.500861Z",
"structure_string": "Ta1 Mn2 V1\n1.0\n-5.072119 5.125395 7.408453\n5.072119 -5.125395 7.408453\n5.072119 5.125395 -7.408453\nTa Mn V\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ta\n0.726884 0.000000 0.726884 Mn\n0.273116 0.000000 0.273116 Mn\n0.000000 0.000000 0.000000 V\n",
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{
"id": "mp-1097150",
"created_at": "2022-09-04T14:42:10.929022Z",
"structure_string": "Al1 Cu1 Rh2\n1.0\n-4.677566 4.988544 7.155652\n4.677566 -4.988544 7.155652\n4.677566 4.988544 -7.155652\nAl Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.000000 0.241125 0.241125 Rh\n0.000000 0.758875 0.758875 Rh\n",
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{
"id": "mp-1096673",
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"structure_string": "Mn1 Cd1 Rh2\n1.0\n-4.840659 5.462362 7.951708\n4.840659 -5.462362 7.951708\n4.840659 5.462362 -7.951708\nMn Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Cd\n0.000000 0.213124 0.213124 Rh\n0.000000 0.786876 0.786876 Rh\n",
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{
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"structure_string": "Be1 As1 Ru2\n1.0\n-4.587947 4.994906 7.030846\n4.587947 -4.994906 7.030846\n4.587947 4.994906 -7.030846\nBe As Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 As\n0.000000 0.253854 0.253854 Ru\n0.000000 0.746146 0.746146 Ru\n",
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{
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{
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"structure_string": "Si4 H16\n1.0\n5.059625 0.000000 0.000000\n0.000000 7.649027 0.000000\n0.000000 1.819386 7.475268\nSi H\n4 16\ndirect\n0.074208 0.248915 0.135769 Si\n0.574208 0.751085 0.364231 Si\n0.925792 0.751085 0.864231 Si\n0.425792 0.248915 0.635769 Si\n0.937784 0.205341 0.979253 H\n0.437784 0.794659 0.520747 H\n0.062216 0.794659 0.020747 H\n0.562216 0.205341 0.479253 H\n0.427783 0.087857 0.789094 H\n0.927783 0.912143 0.710906 H\n0.572217 0.912143 0.210906 H\n0.072217 0.087857 0.289094 H\n0.147072 0.303112 0.586292 H\n0.647072 0.696888 0.913708 H\n0.852928 0.696888 0.413708 H\n0.352928 0.303112 0.086292 H\n0.566081 0.400391 0.688196 H\n0.066081 0.599609 0.811804 H\n0.433919 0.599609 0.311804 H\n0.933919 0.400391 0.188196 H\n",
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}
]
}