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{
"id": "jvasp-9418",
"created_at": "2022-09-04T14:37:10.993520Z",
"updated_at": "2022-09-04T14:37:10.993540Z",
"structure_string": "Mn4 Si4 N8\n1.0\n5.119467 0.000000 0.000000\n0.000000 5.318689 0.000000\n0.000000 0.000000 6.521851\nMn Si N\n4 4 8\ndirect\n0.001691 0.579833 0.875981 Mn\n0.501691 0.420167 0.124019 Mn\n0.501691 0.920168 0.375981 Mn\n0.001691 0.079833 0.624018 Mn\n0.006581 0.068751 0.125228 Si\n0.506581 0.431249 0.625228 Si\n0.506581 0.931249 0.874772 Si\n0.006581 0.568751 0.374772 Si\n0.347971 0.549096 0.407095 N\n0.847972 0.450904 0.592904 N\n0.847972 0.950904 0.907095 N\n0.347971 0.049096 0.092904 N\n0.417757 0.612668 0.841679 N\n0.417757 0.112668 0.658321 N\n0.917758 0.887332 0.341679 N\n0.917758 0.387332 0.158321 N\n",
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{
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"structure_string": "Mg6 Si1 Ni1\n1.0\n6.135792 0.030955 0.000000\n-3.041088 5.329228 0.000000\n0.000000 0.000000 4.624007\nMg Si Ni\n6 1 1\ndirect\n0.166099 0.852182 0.250000 Mg\n0.647818 0.333901 0.250000 Mg\n0.662679 0.837322 0.250000 Mg\n0.324766 0.642042 0.750001 Mg\n0.857958 0.175235 0.750001 Mg\n0.832268 0.667733 0.750001 Mg\n0.317441 0.182559 0.750001 Si\n0.190970 0.309030 0.250000 Ni\n",
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"spacegroup": 38
},
{
"id": "jvasp-94183",
"created_at": "2022-09-04T14:35:47.541272Z",
"updated_at": "2022-09-04T14:35:47.541292Z",
"structure_string": "Mg6 V1 Cu1\n1.0\n6.132823 0.020690 0.000000\n-3.048495 5.280146 0.000000\n0.000000 0.000000 4.855058\nMg V Cu\n6 1 1\ndirect\n0.661468 0.333180 0.250000 Mg\n0.661469 0.828289 0.250000 Mg\n0.325521 0.161990 0.750000 Mg\n0.325521 0.663534 0.750000 Mg\n0.851460 0.175731 0.750000 Mg\n0.845529 0.672766 0.750000 Mg\n0.160765 0.830382 0.250000 V\n0.168268 0.334133 0.250000 Cu\n",
"nsites": 8,
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"elements": [
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"Cu"
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"density_atomic": 0.050786012565638035,
"volume": 157.52368803635557,
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"formula_full": "Mg6 V1 Cu1",
"formula_reduced": "Mg6VCu",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94185",
"created_at": "2022-09-04T14:35:48.874040Z",
"updated_at": "2022-09-04T14:35:48.874072Z",
"structure_string": "Mg6 Cr1 Cu1\n1.0\n6.096692 0.035820 0.000000\n-3.017326 5.297800 0.000000\n0.000000 0.000000 4.875717\nMg Cr Cu\n6 1 1\ndirect\n0.165505 0.850304 0.250000 Mg\n0.649695 0.334494 0.250000 Mg\n0.662610 0.837389 0.250000 Mg\n0.327365 0.648100 0.750000 Mg\n0.851900 0.172634 0.750000 Mg\n0.835522 0.664477 0.750000 Mg\n0.333816 0.166184 0.750000 Cr\n0.173582 0.326418 0.250000 Cu\n",
"nsites": 8,
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"elements": [
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"Cr",
"Cu"
],
"chemical_system": "Cr-Cu-Mg",
"density": 2.74681360462419,
"density_atomic": 0.05063034095604334,
"volume": 158.00802145388485,
"volume_molar": 11.89433183005493,
"formula_full": "Mg6 Cr1 Cu1",
"formula_reduced": "Mg6CrCu",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94186",
"created_at": "2022-09-04T14:35:51.254028Z",
"updated_at": "2022-09-04T14:35:51.254043Z",
"structure_string": "Mg6 Cu1 W1\n1.0\n6.042290 -0.000604 0.000000\n-3.021668 5.232473 0.000000\n0.000000 0.000000 4.789124\nMg Cu W\n6 1 1\ndirect\n0.170253 0.853511 0.250000 Mg\n0.646488 0.329746 0.250000 Mg\n0.663922 0.836078 0.250000 Mg\n0.324741 0.655825 0.749999 Mg\n0.844175 0.175259 0.749999 Mg\n0.832720 0.667280 0.749999 Mg\n0.187506 0.312494 0.250000 Cu\n0.330194 0.169806 0.749999 W\n",
"nsites": 8,
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"elements": [
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"W"
],
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"density": 4.3126151687475875,
"density_atomic": 0.05283849202246949,
"volume": 151.404775075678,
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"formula_full": "Mg6 Cu1 W1",
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{
"id": "jvasp-94189",
"created_at": "2022-09-04T14:35:53.007964Z",
"updated_at": "2022-09-04T14:35:53.007993Z",
"structure_string": "Mg6 Cu1 Mo1\n1.0\n5.940361 0.977166 0.000000\n-2.123930 5.633086 0.000000\n0.000000 0.000000 4.333530\nMg Cu Mo\n6 1 1\ndirect\n0.117780 0.857266 0.250000 Mg\n0.642735 0.382221 0.250000 Mg\n0.599081 0.900920 0.250000 Mg\n0.317575 0.588227 0.750000 Mg\n0.911774 0.182426 0.750000 Mg\n0.821271 0.678731 0.750000 Mg\n0.203520 0.296480 0.250000 Cu\n0.386264 0.113736 0.750000 Mo\n",
"nsites": 8,
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"formula_full": "Mg6 Cu1 Mo1",
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{
"id": "jvasp-9419",
"created_at": "2022-09-04T14:37:11.392209Z",
"updated_at": "2022-09-04T14:37:11.392232Z",
"structure_string": "Na4 Pd2 F8\n1.0\n0.000000 3.430933 -0.028004\n5.629885 0.000000 0.000000\n0.000000 -0.826521 -9.959210\nNa Pd F\n4 2 8\ndirect\n0.719294 0.044248 0.651694 Na\n0.280706 0.544248 0.848306 Na\n0.280706 0.955753 0.348305 Na\n0.719293 0.455752 0.151694 Na\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.783835 0.680467 0.338511 F\n0.216164 0.180466 0.161488 F\n0.216164 0.319534 0.661488 F\n0.783836 0.819534 0.838511 F\n0.213187 0.805836 0.575039 F\n0.786813 0.305836 0.924960 F\n0.213187 0.694165 0.075039 F\n0.786813 0.194165 0.424960 F\n",
"nsites": 14,
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"elements": [
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"F"
],
"chemical_system": "F-Na-Pd",
"density": 3.9403194584288554,
"density_atomic": 0.0727272722472149,
"volume": 192.5000012706531,
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"formula_full": "Na4 Pd2 F8",
"formula_reduced": "Na2PdF4",
"formula_anonymous": "AB2C4",
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"spacegroup": 14
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{
"id": "jvasp-94191",
"created_at": "2022-09-04T14:35:55.238614Z",
"updated_at": "2022-09-04T14:35:55.238639Z",
"structure_string": "Mg6 V1 Co1\n1.0\n6.086982 0.171690 0.000000\n-2.894803 5.013946 0.000000\n0.000000 0.000000 4.739832\nMg V Co\n6 1 1\ndirect\n0.652477 0.327254 0.250000 Mg\n0.652478 0.825223 0.250000 Mg\n0.328319 0.164682 0.750000 Mg\n0.328319 0.663637 0.750000 Mg\n0.873945 0.186973 0.750000 Mg\n0.853702 0.676852 0.750000 Mg\n0.148338 0.824170 0.250000 V\n0.162423 0.331211 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"V",
"Co"
],
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"density": 2.8882032502738153,
"density_atomic": 0.05441641663294179,
"volume": 147.01445804421235,
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"formula_full": "Mg6 V1 Co1",
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"spacegroup": 38
},
{
"id": "jvasp-94194",
"created_at": "2022-09-04T14:35:56.831785Z",
"updated_at": "2022-09-04T14:35:56.831812Z",
"structure_string": "Sr1 Mg6 Ni1\n1.0\n7.399760 0.833776 0.000000\n-2.977808 5.157715 0.000000\n0.000000 0.000000 4.872238\nSr Mg Ni\n1 6 1\ndirect\n0.096553 0.798276 0.250000 Sr\n0.613777 0.302307 0.250000 Mg\n0.613777 0.811471 0.250000 Mg\n0.343060 0.184222 0.750000 Mg\n0.343060 0.658840 0.750000 Mg\n0.923775 0.211889 0.750000 Mg\n0.759437 0.629721 0.750000 Mg\n0.306562 0.403281 0.250000 Ni\n",
"nsites": 8,
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"density": 2.449459462492862,
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{
"id": "jvasp-94202",
"created_at": "2022-09-04T14:35:58.491235Z",
"updated_at": "2022-09-04T14:35:58.491264Z",
"structure_string": "Ce1 Mg6 Co1\n1.0\n6.781676 -0.334799 0.000000\n-3.680783 5.705703 0.000000\n0.000000 0.000000 4.828850\nCe Mg Co\n1 6 1\ndirect\n0.287227 0.212773 0.750000 Ce\n0.175347 0.840439 0.250000 Mg\n0.659561 0.324653 0.250000 Mg\n0.683788 0.816212 0.250000 Mg\n0.316670 0.694565 0.750000 Mg\n0.805435 0.183330 0.750000 Mg\n0.844303 0.655698 0.750000 Mg\n0.227671 0.272328 0.250000 Co\n",
"nsites": 8,
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"spacegroup": 38
},
{
"id": "jvasp-94204",
"created_at": "2022-09-04T14:36:00.219081Z",
"updated_at": "2022-09-04T14:36:00.219108Z",
"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.406087 -0.043768 0.000000\n-3.240948 5.525949 0.000000\n0.000000 0.000000 4.929089\nMg Fe Bi\n6 1 1\ndirect\n0.161951 0.810253 0.250000 Mg\n0.689747 0.338049 0.250000 Mg\n0.666771 0.833229 0.250000 Mg\n0.327121 0.644643 0.750000 Mg\n0.855358 0.172879 0.750000 Mg\n0.831649 0.668351 0.750000 Mg\n0.135125 0.364875 0.250000 Fe\n0.332278 0.167722 0.750000 Bi\n",
"nsites": 8,
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],
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{
"id": "jvasp-94205",
"created_at": "2022-09-04T14:36:03.414502Z",
"updated_at": "2022-09-04T14:36:03.414526Z",
"structure_string": "Mg6 Cu1 Si1\n1.0\n6.038409 -0.167167 0.000000\n-3.163975 5.480167 0.000000\n0.000000 0.000000 4.787578\nMg Cu Si\n6 1 1\ndirect\n0.675480 0.336622 0.250000 Mg\n0.675480 0.838857 0.250000 Mg\n0.320578 0.167107 0.750000 Mg\n0.320578 0.653473 0.750000 Mg\n0.838992 0.169496 0.750000 Mg\n0.836556 0.668278 0.750000 Mg\n0.162004 0.331002 0.250000 Cu\n0.170329 0.835165 0.250000 Si\n",
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]
}