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"results": [
{
"id": "mp-1096366",
"created_at": "2022-09-04T14:47:19.895275Z",
"structure_string": "Zr2 Be1 Tc1\n1.0\n-4.969719 5.513148 8.205186\n4.969719 -5.513148 8.205186\n4.969719 5.513148 -8.205186\nZr Be Tc\n2 1 1\ndirect\n0.000000 0.273303 0.273303 Zr\n0.000000 0.726697 0.726697 Zr\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
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{
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"formula_full": "Zr2 Be26",
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"updated_at": "2021-11-28T01:36:29.602000Z",
"spacegroup": 226
},
{
"id": "mp-10200",
"created_at": "2022-09-04T14:48:12.850168Z",
"structure_string": "Zr2 Be2 Si2\n1.0\n1.872260 -3.242849 0.000000\n1.872260 3.242849 0.000000\n0.000000 0.000000 7.254626\nZr Be Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.750000 Be\n0.333333 0.666667 0.250000 Be\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
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"volume": 88.09229191197879,
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"formula_full": "Zr2 Be2 Si2",
"formula_reduced": "ZrBeSi",
"formula_anonymous": "ABC",
"energy": -39.76000568,
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"total_magnetization": 3.5e-06,
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"updated_at": "2021-11-28T01:38:41.279000Z",
"spacegroup": 194
},
{
"id": "mp-754588",
"created_at": "2022-09-04T14:45:01.610367Z",
"structure_string": "Zr2 Bi2 O8\n1.0\n-2.663104 2.663104 5.417682\n2.663104 -2.663104 5.417682\n2.663104 2.663104 -5.417682\nZr Bi O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.615903 0.586822 0.494198 O\n0.092625 0.121705 0.505802 O\n0.878295 0.384097 0.970920 O\n0.413178 0.907375 0.029080 O\n0.336822 0.342625 0.470920 O\n0.871705 0.865903 0.529080 O\n0.657375 0.128295 0.994198 O\n0.134097 0.663178 0.005802 O\n",
"nsites": 12,
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"density_atomic": 0.07807850535335573,
"volume": 153.69146662954472,
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"formula_full": "Zr2 Bi2 O8",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:36:50.924000Z",
"spacegroup": 88
},
{
"id": "mp-1065846",
"created_at": "2022-09-04T14:40:21.135612Z",
"structure_string": "Zr2 Br2\n1.0\n1.774475 3.049985 0.000000\n-1.774475 3.049985 0.000000\n0.000000 2.694846 9.747833\nZr Br\n2 2\ndirect\n0.279555 0.279555 0.620513 Zr\n0.720445 0.720445 0.379487 Zr\n0.858452 0.858452 0.816416 Br\n0.141548 0.141548 0.183584 Br\n",
"nsites": 4,
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"chemical_system": "Br-Zr",
"density": 5.386349173186648,
"density_atomic": 0.03791004735011135,
"volume": 105.51292545373862,
"volume_molar": 15.885342227045022,
"formula_full": "Zr2 Br2",
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"total_magnetization": 1.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.077000Z",
"spacegroup": 12
},
{
"id": "mp-504594",
"created_at": "2022-09-04T14:48:11.073520Z",
"structure_string": "Zr2 Br2\n1.0\n9.734752 -1.767386 0.000000\n9.734752 1.767386 0.000000\n9.413875 0.000000 3.044339\nZr Br\n2 2\ndirect\n0.207372 0.207372 0.207372 Zr\n0.792628 0.792628 0.792628 Zr\n0.393836 0.393836 0.393836 Br\n0.606164 0.606164 0.606164 Br\n",
"nsites": 4,
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"chemical_system": "Br-Zr",
"density": 5.425263775225613,
"density_atomic": 0.03818393497946366,
"volume": 104.75609709034197,
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"formula_full": "Zr2 Br2",
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"updated_at": "2021-11-28T01:38:25.473000Z",
"spacegroup": 166
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{
"id": "mp-1066783",
"created_at": "2022-09-04T14:42:42.643012Z",
"structure_string": "Zr2 Br2\n1.0\n1.725669 -2.988946 0.000000\n1.725669 2.988946 0.000000\n0.000000 0.000000 10.036408\nZr Br\n2 2\ndirect\n0.666667 0.333333 0.623224 Zr\n0.333333 0.666667 0.376776 Zr\n0.666667 0.333333 0.182488 Br\n0.333333 0.666667 0.817512 Br\n",
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"density": 5.48929154990673,
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"updated_at": "2021-11-28T01:35:50.777000Z",
"spacegroup": 164
},
{
"id": "mp-1172825",
"created_at": "2022-09-04T14:39:07.664153Z",
"structure_string": "Zr2 Br2 N2\n1.0\n1.748235 -3.028032 0.000000\n1.748235 3.028032 0.000000\n0.000000 0.000000 13.873535\nZr Br N\n2 2 2\ndirect\n0.000000 0.000000 0.836203 Zr\n0.000000 0.000000 0.163797 Zr\n0.666667 0.333333 0.310589 Br\n0.333333 0.666667 0.689411 Br\n0.666667 0.333333 0.879084 N\n0.333333 0.666667 0.120916 N\n",
"nsites": 6,
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"volume": 146.8849842029161,
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"formula_full": "Zr2 Br2 N2",
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"spacegroup": 164
},
{
"id": "mp-570157",
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"structure_string": "Zr2 Br2 N2\n1.0\n3.639016 0.000000 0.000000\n0.000000 4.171676 0.000000\n0.000000 0.000000 9.003880\nZr Br N\n2 2 2\ndirect\n0.000000 0.500000 0.098365 Zr\n0.500000 0.000000 0.901635 Zr\n0.000000 0.000000 0.667542 Br\n0.500000 0.500000 0.332458 Br\n0.000000 0.000000 0.032045 N\n0.500000 0.500000 0.967955 N\n",
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{
"id": "mp-541912",
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"structure_string": "Zr2 Br2 N2\n1.0\n10.253836 -1.844568 0.000000\n10.253836 1.844568 0.000000\n9.922016 0.000000 3.177607\nZr Br N\n2 2 2\ndirect\n0.875928 0.875928 0.875928 Zr\n0.124072 0.124072 0.124072 Zr\n0.607684 0.607684 0.607684 Br\n0.392316 0.392316 0.392316 Br\n0.804865 0.804865 0.804865 N\n0.195135 0.195135 0.195135 N\n",
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{
"id": "mp-754503",
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"structure_string": "Zr2 Br2 O2\n1.0\n9.703327 -1.877467 0.000000\n9.703327 1.877467 0.000000\n9.340061 0.000000 3.231514\nZr Br O\n2 2 2\ndirect\n0.123598 0.123598 0.123598 Zr\n0.876403 0.876403 0.876403 Zr\n0.390870 0.390870 0.390870 Br\n0.609130 0.609130 0.609130 Br\n0.199464 0.199464 0.199464 O\n0.800536 0.800536 0.800536 O\n",
"nsites": 6,
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"formula_full": "Zr2 Br2 O2",
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},
{
"id": "mp-23247",
"created_at": "2022-09-04T14:47:26.852307Z",
"structure_string": "Zr2 Br6\n1.0\n3.747317 -6.490544 0.000000\n3.747317 6.490544 0.000000\n0.000000 0.000000 6.284645\nZr Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.703933 0.000000 0.750000 Br\n0.703933 0.703933 0.250000 Br\n0.296067 0.000000 0.250000 Br\n0.296067 0.296067 0.750000 Br\n0.000000 0.703933 0.750000 Br\n0.000000 0.296067 0.250000 Br\n",
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"updated_at": "2021-11-28T01:38:10.625000Z",
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}
]
}