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{
"id": "jvasp-9319",
"created_at": "2022-09-04T14:36:37.290802Z",
"updated_at": "2022-09-04T14:36:37.290821Z",
"structure_string": "Y1 Mn1 W2 O8\n1.0\n5.095700 -0.006275 -0.073786\n-0.014134 5.903192 -0.005459\n-2.172107 -2.042804 5.165404\nY Mn W O\n1 1 2 8\ndirect\n0.525629 0.276493 0.901773 Y\n0.032314 0.749534 0.883861 Mn\n0.279267 0.602670 0.413200 W\n0.771931 0.955538 0.387848 W\n0.297023 0.325972 0.168115 O\n0.259483 0.508970 0.674264 O\n0.373291 0.805144 0.205374 O\n0.173338 0.950154 0.610716 O\n0.787565 0.057764 0.136099 O\n0.746006 0.231480 0.631681 O\n0.677705 0.749091 0.601005 O\n0.876349 0.608700 0.189955 O\n",
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{
"id": "jvasp-93190",
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"structure_string": "K1 Mg6 Cr1\n1.0\n7.623576 -2.042595 0.000000\n-5.580727 9.666102 0.000000\n0.000000 0.000000 3.121073\nK Mg Cr\n1 6 1\ndirect\n0.249971 0.374985 0.250000 K\n0.750085 0.375062 0.250000 Mg\n0.750085 0.875021 0.250000 Mg\n0.250070 0.074857 0.749999 Mg\n0.250069 0.675212 0.749999 Mg\n0.649567 0.074784 0.749999 Mg\n0.850270 0.675136 0.749999 Mg\n0.249882 0.874941 0.250000 Cr\n",
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"formula_full": "K1 Mg6 Cr1",
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"spacegroup": 123
},
{
"id": "jvasp-93192",
"created_at": "2022-09-04T14:35:44.815165Z",
"updated_at": "2022-09-04T14:35:44.815195Z",
"structure_string": "K1 Li1 Mg6\n1.0\n7.157030 0.450020 0.000000\n-3.188786 5.523139 0.000000\n0.000000 0.000000 5.219719\nK Li Mg\n1 1 6\ndirect\n0.116651 0.308326 0.250000 K\n0.213630 0.856814 0.250000 Li\n0.639859 0.327901 0.250000 Mg\n0.639859 0.811957 0.250000 Mg\n0.362999 0.177300 0.750000 Mg\n0.362999 0.685699 0.750000 Mg\n0.779437 0.139719 0.750000 Mg\n0.884567 0.692283 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 1.4900541232251834,
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"volume": 213.8220775776788,
"volume_molar": 16.09583310960527,
"formula_full": "K1 Li1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93193",
"created_at": "2022-09-04T14:35:49.064158Z",
"updated_at": "2022-09-04T14:35:49.064182Z",
"structure_string": "Hf1 Mg6 Ti1\n1.0\n6.421090 -0.130831 0.000000\n-3.323848 5.495411 0.000000\n0.000000 0.000000 4.932058\nHf Mg Ti\n1 6 1\ndirect\n0.307962 0.192038 0.750000 Hf\n0.180379 0.834066 0.250000 Mg\n0.665934 0.319621 0.250000 Mg\n0.672951 0.827048 0.250000 Mg\n0.317208 0.667084 0.750000 Mg\n0.832916 0.182792 0.750000 Mg\n0.829035 0.670965 0.750000 Mg\n0.193613 0.306387 0.250000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Ti"
],
"chemical_system": "Hf-Mg-Ti",
"density": 3.5954940586869597,
"density_atomic": 0.04654127378041519,
"volume": 171.89043939245258,
"volume_molar": 12.939355266494978,
"formula_full": "Hf1 Mg6 Ti1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93194",
"created_at": "2022-09-04T14:35:52.819975Z",
"updated_at": "2022-09-04T14:35:52.819999Z",
"structure_string": "K1 Mg6 Nb1\n1.0\n6.358791 -1.703660 0.000000\n-4.654808 8.062364 0.000000\n0.000000 0.000000 4.523015\nK Mg Nb\n1 6 1\ndirect\n0.249965 0.374982 0.250000 K\n0.750017 0.375046 0.250000 Mg\n0.750016 0.874970 0.250000 Mg\n0.250000 0.094245 0.749999 Mg\n0.250000 0.655756 0.749999 Mg\n0.688438 0.094219 0.749999 Mg\n0.811566 0.655783 0.749999 Mg\n0.249992 0.874996 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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"density": 2.353704362730945,
"density_atomic": 0.04081373566378451,
"volume": 196.0124421322865,
"volume_molar": 14.755181465399799,
"formula_full": "K1 Mg6 Nb1",
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{
"id": "jvasp-93196",
"created_at": "2022-09-04T14:35:55.924898Z",
"updated_at": "2022-09-04T14:35:55.924924Z",
"structure_string": "K1 Hf1 Mg6\n1.0\n6.415524 -1.720716 0.000000\n-4.697946 8.137082 0.000000\n0.000000 0.000000 4.651697\nK Hf Mg\n1 1 6\ndirect\n0.249962 0.374981 0.250000 K\n0.249994 0.874996 0.250000 Hf\n0.750010 0.375014 0.250000 Mg\n0.750009 0.874994 0.250000 Mg\n0.250006 0.100263 0.750000 Mg\n0.250005 0.649743 0.750000 Mg\n0.700727 0.100365 0.750000 Mg\n0.799277 0.649639 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"volume": 205.2320064784665,
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"formula_full": "K1 Hf1 Mg6",
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{
"id": "jvasp-93197",
"created_at": "2022-09-04T14:35:58.302622Z",
"updated_at": "2022-09-04T14:35:58.302654Z",
"structure_string": "Mg6 Ti1 B1\n1.0\n6.553867 1.242421 0.000000\n-2.200967 6.297025 0.000000\n0.000000 0.000000 3.605053\nMg Ti B\n6 1 1\ndirect\n0.207151 0.943873 0.250000 Mg\n0.556127 0.292849 0.250000 Mg\n0.670199 0.829802 0.250000 Mg\n0.382519 0.614628 0.749999 Mg\n0.885373 0.117481 0.749999 Mg\n0.901596 0.598404 0.749999 Mg\n0.134803 0.365198 0.250000 Ti\n0.262233 0.237767 0.749999 B\n",
"nsites": 8,
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"elements": [
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"B"
],
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"density": 2.140679847423709,
"density_atomic": 0.050429226701100865,
"volume": 158.63816527302333,
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"formula_full": "Mg6 Ti1 B1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93199",
"created_at": "2022-09-04T14:36:00.830951Z",
"updated_at": "2022-09-04T14:36:00.830977Z",
"structure_string": "Li1 Mg6 Nb1\n1.0\n5.908543 -1.576690 0.000000\n-4.319725 7.481983 0.000000\n0.000000 0.000000 4.460147\nLi Mg Nb\n1 6 1\ndirect\n0.249968 0.374984 0.250000 Li\n0.750002 0.375003 0.250000 Mg\n0.750003 0.874998 0.250000 Mg\n0.250007 0.116649 0.750001 Mg\n0.250007 0.633359 0.750001 Mg\n0.731748 0.115874 0.750001 Mg\n0.768263 0.634132 0.750001 Mg\n0.250002 0.874999 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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"density": 2.4458579088813837,
"density_atomic": 0.0479630663965338,
"volume": 166.7950070969221,
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"formula_full": "Li1 Mg6 Nb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-93200",
"created_at": "2022-09-04T14:36:03.716094Z",
"updated_at": "2022-09-04T14:36:03.716105Z",
"structure_string": "Sr1 Li1 Mg6\n1.0\n7.202574 0.493734 0.000000\n-3.173701 5.497011 0.000000\n0.000000 0.000000 5.132612\nSr Li Mg\n1 1 6\ndirect\n0.108271 0.804134 0.250000 Sr\n0.237133 0.368566 0.250000 Li\n0.632833 0.308193 0.250000 Mg\n0.632833 0.824637 0.250000 Mg\n0.357363 0.179521 0.750000 Mg\n0.357363 0.677843 0.750000 Mg\n0.903322 0.201661 0.750000 Mg\n0.770880 0.635441 0.750000 Mg\n",
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"density_atomic": 0.03786870768914957,
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"formula_full": "Sr1 Li1 Mg6",
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},
{
"id": "jvasp-93201",
"created_at": "2022-09-04T14:36:06.528283Z",
"updated_at": "2022-09-04T14:36:06.528310Z",
"structure_string": "Mg6 Ti1 Ga1\n1.0\n6.283662 -0.015895 0.000000\n-3.155597 5.433862 0.000000\n0.000000 0.000000 4.825517\nMg Ti Ga\n6 1 1\ndirect\n0.171864 0.832688 0.250000 Mg\n0.667312 0.328136 0.250000 Mg\n0.667474 0.832526 0.250000 Mg\n0.328886 0.658682 0.750000 Mg\n0.841318 0.171114 0.750000 Mg\n0.830836 0.669165 0.750000 Mg\n0.177586 0.322414 0.250000 Ti\n0.314723 0.185277 0.750000 Ga\n",
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{
"id": "jvasp-93202",
"created_at": "2022-09-04T14:36:08.791382Z",
"updated_at": "2022-09-04T14:36:08.791405Z",
"structure_string": "Mg6 Ti1 B1\n1.0\n6.670008 0.610803 0.000000\n-2.806033 4.860192 0.000000\n0.000000 0.000000 4.451564\nMg Ti B\n6 1 1\ndirect\n0.618702 0.310482 0.250000 Mg\n0.618702 0.808217 0.250000 Mg\n0.325781 0.160132 0.749999 Mg\n0.325781 0.665649 0.749999 Mg\n0.831778 0.165889 0.749999 Mg\n0.909258 0.704628 0.749999 Mg\n0.130270 0.315134 0.250000 Ti\n0.239731 0.869865 0.250000 B\n",
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{
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"created_at": "2022-09-04T14:36:12.228174Z",
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"structure_string": "Mg6 Ti1 Bi1\n1.0\n6.387425 0.143862 0.000000\n-3.069125 5.315878 0.000000\n0.000000 0.000000 5.264903\nMg Ti Bi\n6 1 1\ndirect\n0.664373 0.329570 0.250000 Mg\n0.664374 0.834804 0.250000 Mg\n0.339348 0.181704 0.750000 Mg\n0.339348 0.657645 0.750000 Mg\n0.845903 0.172952 0.750000 Mg\n0.821035 0.660518 0.750000 Mg\n0.163807 0.331903 0.250000 Ti\n0.161811 0.830904 0.250000 Bi\n",
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}