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{
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"results": [
{
"id": "mp-1096281",
"created_at": "2022-09-04T14:48:04.301733Z",
"structure_string": "Li1 Al1 Hg2\n1.0\n-5.474413 5.542937 7.827661\n5.474413 -5.542937 7.827661\n5.474413 5.542937 -7.827661\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.245915 0.245915 Hg\n0.000000 0.754085 0.754085 Hg\n",
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{
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{
"id": "mp-1096249",
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"volume": 952.386452526712,
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"formula_full": "In1 Ga2 Sn1",
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"updated_at": "2021-11-28T01:34:28.343000Z",
"spacegroup": 71
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{
"id": "mp-1093778",
"created_at": "2022-09-04T14:41:06.706516Z",
"structure_string": "Y1 Al1 Pd2\n1.0\n-4.827142 5.911042 8.357205\n4.827142 -5.911042 8.357205\n4.827142 5.911042 -8.357205\nY Al Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.247719 0.247719 Pd\n0.000000 0.752281 0.752281 Pd\n",
"nsites": 4,
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"formula_full": "Y1 Al1 Pd2",
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"updated_at": "2021-11-28T01:35:13.060000Z",
"spacegroup": 71
},
{
"id": "mp-1096446",
"created_at": "2022-09-04T14:42:09.378991Z",
"structure_string": "Y1 Ta1 Os2\n1.0\n-4.944751 5.838166 8.261838\n4.944751 -5.838166 8.261838\n4.944751 5.838166 -8.261838\nY Ta Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Ta\n0.000000 0.268858 0.268858 Os\n0.000000 0.731142 0.731142 Os\n",
"nsites": 4,
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"formula_full": "Y1 Ta1 Os2",
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"energy_uncorrected": -25.39137836,
"band_gap": 0.1253999999999999,
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"updated_at": "2021-11-28T01:35:36.351000Z",
"spacegroup": 71
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{
"id": "mp-1211282",
"created_at": "2022-09-04T14:41:57.041947Z",
"structure_string": "Rb4 N2 O8\n1.0\n9.598610 0.000000 0.000000\n0.000000 18.436949 0.000000\n0.000000 0.000000 18.874186\nRb N O\n4 2 8\ndirect\n0.500000 0.887938 0.000867 Rb\n0.500000 0.887938 0.499133 Rb\n0.500000 0.112062 0.500867 Rb\n0.500000 0.112062 0.999133 Rb\n0.500000 0.500000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.500000 0.368630 0.717272 O\n0.500000 0.368630 0.782728 O\n0.500000 0.631370 0.217272 O\n0.500000 0.631370 0.282728 O\n0.500000 0.757827 0.501094 O\n0.500000 0.757827 0.998906 O\n0.500000 0.242173 0.001094 O\n0.500000 0.242173 0.498906 O\n",
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"elements": [
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"O"
],
"chemical_system": "N-O-Rb",
"density": 0.24751867565913305,
"density_atomic": 0.004191431804400345,
"volume": 3340.147389563204,
"volume_molar": 143.67741242211548,
"formula_full": "Rb4 N2 O8",
"formula_reduced": "Rb2NO4",
"formula_anonymous": "AB2C4",
"energy": -47.19011773,
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"updated_at": "2021-11-28T01:35:35.260000Z",
"spacegroup": 51
},
{
"id": "mp-1097588",
"created_at": "2022-09-04T14:46:06.351641Z",
"structure_string": "Zr2 Ir1 Au1\n1.0\n-5.148146 5.751564 8.057513\n5.148146 -5.751564 8.057513\n5.148146 5.751564 -8.057513\nZr Ir Au\n2 1 1\ndirect\n0.000000 0.226420 0.226420 Zr\n0.000000 0.773580 0.773580 Zr\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Au\n",
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"density": 0.9946435824047438,
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"volume": 954.3283331014295,
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"formula_full": "Zr2 Ir1 Au1",
"formula_reduced": "Zr2IrAu",
"formula_anonymous": "ABC2",
"energy": -19.12859816,
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"updated_at": "2021-11-28T01:37:25.179000Z",
"spacegroup": 71
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{
"id": "mp-1093969",
"created_at": "2022-09-04T14:43:38.841307Z",
"structure_string": "Li1 Sc1 Ga2\n1.0\n-5.399129 5.564461 7.942089\n5.399129 -5.564461 7.942089\n5.399129 5.564461 -7.942089\nLi Sc Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.245805 0.245805 Ga\n0.000000 0.754195 0.754195 Ga\n",
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"density": 0.3329047016193808,
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"volume": 954.4244312183918,
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"formula_full": "Li1 Sc1 Ga2",
"formula_reduced": "LiScGa2",
"formula_anonymous": "ABC2",
"energy": -7.98932102,
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"updated_at": "2021-11-28T01:36:19.333000Z",
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{
"id": "mp-1096721",
"created_at": "2022-09-04T14:47:22.227477Z",
"structure_string": "Y1 Zr1 Tc2\n1.0\n-4.768851 5.943384 8.421128\n4.768851 -5.943384 8.421128\n4.768851 5.943384 -8.421128\nY Zr Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Zr\n0.000000 0.260740 0.260740 Tc\n0.000000 0.739260 0.739260 Tc\n",
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"volume": 954.7239209311308,
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"formula_full": "Y1 Zr1 Tc2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:05.401000Z",
"spacegroup": 71
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{
"id": "mp-1096172",
"created_at": "2022-09-04T14:41:08.067496Z",
"structure_string": "Li2 Ga1 Sn1\n1.0\n-5.502387 5.539683 7.834469\n5.502387 -5.539683 7.834469\n5.502387 5.539683 -7.834469\nLi Ga Sn\n2 1 1\ndirect\n0.000000 0.250174 0.250174 Li\n0.000000 0.749826 0.749826 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Sn\n",
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"volume": 955.2248318659479,
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"formula_full": "Li2 Ga1 Sn1",
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{
"id": "mp-1096193",
"created_at": "2022-09-04T14:41:22.199812Z",
"structure_string": "Zr2 Cr1 Tc1\n1.0\n-5.214872 5.701060 8.032812\n5.214872 -5.701060 8.032812\n5.214872 5.701060 -8.032812\nZr Cr Tc\n2 1 1\ndirect\n0.000000 0.284536 0.284536 Zr\n0.000000 0.715464 0.715464 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n",
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"volume": 955.2715834317105,
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"formula_full": "Zr2 Cr1 Tc1",
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"updated_at": "2021-11-28T01:35:17.962000Z",
"spacegroup": 71
},
{
"id": "mp-1096095",
"created_at": "2022-09-04T14:40:55.172413Z",
"structure_string": "Hf2 Zn1 Mo1\n1.0\n-5.235080 5.812039 7.854799\n5.235080 -5.812039 7.854799\n5.235080 5.812039 -7.854799\nHf Zn Mo\n2 1 1\ndirect\n0.000000 0.280717 0.280717 Hf\n0.000000 0.719283 0.719283 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Mo\n",
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"volume": 955.9758255082713,
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"formula_full": "Hf2 Zn1 Mo1",
"formula_reduced": "Hf2ZnMo",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:00.775000Z",
"spacegroup": 71
}
]
}