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{
"id": "jvasp-101228",
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"structure_string": "Bi1 Pd6 Pb1\n1.0\n4.125769 0.000000 0.000000\n0.000000 4.125769 0.000000\n-0.000000 -0.000000 8.231480\nBi Pd Pb\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.251745 Pd\n0.500000 0.000000 0.748255 Pd\n-0.000000 0.500000 0.251745 Pd\n-0.000000 0.500000 0.748255 Pd\n0.000000 0.000000 0.500000 Pb\n",
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{
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"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.242823 0.248644 0.000000\n-2.906079 5.033478 0.000000\n0.000000 0.000000 4.763562\nMg Nb Ni\n6 1 1\ndirect\n0.640908 0.321823 0.250000 Mg\n0.640908 0.819083 0.250000 Mg\n0.333071 0.164547 0.750000 Mg\n0.333071 0.668526 0.750000 Mg\n0.887517 0.193759 0.750000 Mg\n0.843473 0.671737 0.750000 Mg\n0.139835 0.819918 0.250000 Nb\n0.181213 0.340606 0.250000 Ni\n",
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{
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"structure_string": "Mg6 Al1 Cr1\n1.0\n6.215806 0.004033 0.000000\n-3.104410 5.385062 0.000000\n0.000000 0.000000 4.891166\nMg Al Cr\n6 1 1\ndirect\n0.171021 0.842709 0.250000 Mg\n0.657291 0.328979 0.250000 Mg\n0.668114 0.831885 0.250000 Mg\n0.330677 0.662323 0.750001 Mg\n0.837677 0.169323 0.750001 Mg\n0.833627 0.666372 0.750001 Mg\n0.175893 0.324106 0.250000 Al\n0.325703 0.174297 0.750001 Cr\n",
"nsites": 8,
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"formula_full": "Mg6 Al1 Cr1",
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{
"id": "jvasp-92846",
"created_at": "2022-09-04T14:36:12.148407Z",
"updated_at": "2022-09-04T14:36:12.148433Z",
"structure_string": "Ba1 Mg6 Nb1\n1.0\n6.590378 0.000765 0.000000\n-3.294527 5.707816 0.000000\n0.000000 0.000000 5.191953\nBa Mg Nb\n1 6 1\ndirect\n0.083332 0.416669 0.250000 Ba\n0.112584 0.931290 0.250000 Mg\n0.568711 0.387416 0.250000 Mg\n0.568824 0.931176 0.250000 Mg\n0.436010 0.593071 0.750000 Mg\n0.906929 0.063989 0.750000 Mg\n0.906926 0.593074 0.750000 Mg\n0.416685 0.083315 0.750000 Nb\n",
"nsites": 8,
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"formula_full": "Ba1 Mg6 Nb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 187
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{
"id": "jvasp-94245",
"created_at": "2022-09-04T14:35:54.114382Z",
"updated_at": "2022-09-04T14:35:54.114420Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.892278 -0.373739 0.000000\n-3.769806 5.782018 0.000000\n0.000000 0.000000 4.678605\nCe Mg Fe\n1 6 1\ndirect\n0.283093 0.216907 0.749999 Ce\n0.176148 0.843189 0.250000 Mg\n0.656812 0.323852 0.250000 Mg\n0.685377 0.814623 0.250000 Mg\n0.317303 0.691255 0.749999 Mg\n0.808745 0.182696 0.749999 Mg\n0.845593 0.654407 0.749999 Mg\n0.226927 0.273073 0.250000 Fe\n",
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"density": 3.1556104771394575,
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{
"id": "jvasp-92881",
"created_at": "2022-09-04T14:35:56.238530Z",
"updated_at": "2022-09-04T14:35:56.238557Z",
"structure_string": "Mg6 Nb1 Mo1\n1.0\n6.222983 0.298185 0.000000\n-2.853256 4.941983 0.000000\n0.000000 0.000000 4.970856\nMg Nb Mo\n6 1 1\ndirect\n0.650212 0.324919 0.250000 Mg\n0.650212 0.825290 0.250000 Mg\n0.330574 0.162725 0.750001 Mg\n0.330573 0.667848 0.750001 Mg\n0.861897 0.180948 0.750001 Mg\n0.873012 0.686506 0.750001 Mg\n0.151504 0.325751 0.250000 Nb\n0.152011 0.826005 0.250000 Mo\n",
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"formula_full": "Mg6 Nb1 Mo1",
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{
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"created_at": "2022-09-04T14:38:03.256422Z",
"updated_at": "2022-09-04T14:38:03.256453Z",
"structure_string": "Ca1 Pt1 F6\n1.0\n4.668461 0.038927 3.475981\n1.767108 4.321271 3.475980\n0.057456 0.038927 5.820110\nCa Pt F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Pt\n0.390110 0.064531 0.778197 F\n0.064531 0.778198 0.390109 F\n0.221803 0.609891 0.935469 F\n0.935469 0.221803 0.609890 F\n0.609891 0.935470 0.221801 F\n0.778198 0.390110 0.064530 F\n",
"nsites": 8,
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{
"id": "jvasp-93161",
"created_at": "2022-09-04T14:35:49.524879Z",
"updated_at": "2022-09-04T14:35:49.524907Z",
"structure_string": "Li1 Mg6 Ga1\n1.0\n6.256828 0.000131 0.000000\n-3.128300 5.418375 0.000000\n0.000000 0.000000 4.996591\nLi Mg Ga\n1 6 1\ndirect\n0.166120 0.333059 0.250000 Li\n0.668869 0.332871 0.250000 Mg\n0.668869 0.835997 0.250000 Mg\n0.327156 0.163860 0.750000 Mg\n0.327156 0.663296 0.750000 Mg\n0.836197 0.168098 0.750000 Mg\n0.835704 0.667852 0.750000 Mg\n0.169928 0.834963 0.250000 Ga\n",
"nsites": 8,
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{
"id": "jvasp-92919",
"created_at": "2022-09-04T14:35:50.051980Z",
"updated_at": "2022-09-04T14:35:50.052006Z",
"structure_string": "Mg6 Bi1 W1\n1.0\n6.154303 0.083445 0.000000\n-3.004886 5.371505 0.000000\n0.000000 0.000000 5.072406\nMg Bi W\n6 1 1\ndirect\n0.156388 0.820529 0.250000 Mg\n0.679470 0.343611 0.250000 Mg\n0.663439 0.836560 0.250000 Mg\n0.323026 0.645733 0.750001 Mg\n0.854266 0.176974 0.750001 Mg\n0.833280 0.666720 0.750001 Mg\n0.331883 0.168117 0.750001 Bi\n0.158245 0.341754 0.250000 W\n",
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{
"id": "jvasp-102701",
"created_at": "2022-09-04T14:37:14.041147Z",
"updated_at": "2022-09-04T14:37:14.041181Z",
"structure_string": "Nb6 Ga1 Ge1\n1.0\n5.186762 -0.000000 0.000000\n0.000000 5.186762 0.000000\n0.000000 0.000000 5.186762\nNb Ga Ge\n6 1 1\ndirect\n-0.000000 0.500000 0.751312 Nb\n0.500000 0.248687 -0.000000 Nb\n0.751312 0.000000 0.500000 Nb\n-0.000000 0.500000 0.248687 Nb\n0.500000 0.751312 -0.000000 Nb\n0.248687 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:35:50.202244Z",
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"structure_string": "Ce1 Mg6 Zn1\n1.0\n7.186209 0.688245 0.000000\n-2.997122 5.191667 0.000000\n0.000000 0.000000 4.857953\nCe Mg Zn\n1 6 1\ndirect\n0.101777 0.800913 0.250000 Ce\n0.626138 0.307235 0.250000 Mg\n0.626105 0.818894 0.250000 Mg\n0.345985 0.171110 0.750000 Mg\n0.345961 0.674846 0.750000 Mg\n0.925547 0.212754 0.750000 Mg\n0.780824 0.640402 0.750000 Mg\n0.247668 0.373849 0.250000 Zn\n",
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{
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"structure_string": "Cr1 Hg1 F6\n1.0\n4.564305 0.020830 3.295330\n1.696599 4.237320 3.295329\n0.030628 0.020833 5.629489\nCr Hg F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500000 0.500000 Hg\n0.382825 0.044865 0.794851 F\n0.044866 0.794851 0.382825 F\n0.205149 0.617175 0.955135 F\n0.955136 0.205148 0.617175 F\n0.617176 0.955135 0.205148 F\n0.794852 0.382824 0.044865 F\n",
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