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{
"id": "jvasp-74471",
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"updated_at": "2022-09-04T14:35:49.980044Z",
"structure_string": "Sr2 Be1 Tl1\n1.0\n5.552737 0.000000 0.000000\n0.000000 5.552737 -0.000000\n-0.000000 0.000000 3.924415\nSr Be Tl\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500001 Be\n0.500000 0.500000 0.500001 Tl\n",
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{
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"structure_string": "Sm4 P6 Pt12\n1.0\n4.129649 0.000000 -0.371687\n-0.033453 4.129513 -0.371687\n0.001026 0.001035 23.138558\nSm P Pt\n4 6 12\ndirect\n0.424508 0.674506 0.349014 Sm\n0.174509 0.924506 0.849014 Sm\n0.825493 0.075493 0.150986 Sm\n0.575494 0.325492 0.650986 Sm\n0.700295 0.450292 0.900587 P\n0.125001 0.374999 0.750000 P\n0.950294 0.200293 0.400587 P\n0.299707 0.549706 0.099413 P\n0.875001 0.624999 0.250000 P\n0.049708 0.799705 0.599413 P\n0.475401 0.225400 0.450800 Pt\n0.350845 0.600844 0.201689 Pt\n0.227361 0.477359 0.954720 Pt\n0.100846 0.850843 0.701689 Pt\n0.649157 0.399154 0.798311 Pt\n0.772641 0.522640 0.045280 Pt\n0.977361 0.727359 0.454720 Pt\n0.022641 0.272639 0.545280 Pt\n0.274600 0.024600 0.049199 Pt\n0.725402 0.975398 0.950800 Pt\n0.524601 0.774599 0.549199 Pt\n0.899156 0.149155 0.298311 Pt\n",
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{
"id": "jvasp-94766",
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"updated_at": "2022-09-04T14:35:49.858082Z",
"structure_string": "Mg6 Al1 Mo1\n1.0\n6.154499 0.156648 0.000000\n-2.941589 5.094981 0.000000\n0.000000 0.000000 4.921030\nMg Al Mo\n6 1 1\ndirect\n0.656846 0.329097 0.250000 Mg\n0.656846 0.827749 0.250000 Mg\n0.332940 0.155431 0.750000 Mg\n0.332940 0.677510 0.750000 Mg\n0.848588 0.174295 0.750000 Mg\n0.857050 0.678526 0.750000 Mg\n0.161625 0.330812 0.250000 Al\n0.153165 0.826582 0.250000 Mo\n",
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"volume": 156.576591940688,
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"formula_full": "Mg6 Al1 Mo1",
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"spacegroup": 38
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{
"id": "jvasp-90153",
"created_at": "2022-09-04T14:35:49.866980Z",
"updated_at": "2022-09-04T14:35:49.867002Z",
"structure_string": "Ce3 Cd3 Pt3\n1.0\n0.000000 0.000000 -3.993044\n-3.835266 -6.642877 0.000000\n-3.835559 6.643044 0.000000\nCe Cd Pt\n3 3 3\ndirect\n0.000000 0.594221 0.000000 Ce\n0.000000 0.405756 0.405768 Ce\n0.000000 0.999986 0.594233 Ce\n0.500000 0.254476 0.000000 Cd\n0.500000 0.745502 0.745516 Cd\n0.500000 0.999987 0.254485 Cd\n0.500000 0.333324 0.666668 Pt\n0.500000 0.666658 0.333333 Pt\n0.000000 0.999994 0.000000 Pt\n",
"nsites": 9,
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"elements": [
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"formula_full": "Ce3 Cd3 Pt3",
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{
"id": "jvasp-63328",
"created_at": "2022-09-04T14:35:49.871207Z",
"updated_at": "2022-09-04T14:35:49.871237Z",
"structure_string": "Cr3 As3 Rh3\n1.0\n3.253460 -5.635159 0.000000\n3.253454 5.635155 0.000000\n0.000000 0.000000 3.725124\nCr As Rh\n3 3 3\ndirect\n0.000073 0.407480 0.500000 Cr\n0.592593 0.592519 0.500000 Cr\n0.407405 -0.000000 0.500000 Cr\n0.666663 0.333326 0.000000 As\n0.333337 0.666673 0.000000 As\n-0.000032 0.000000 0.500000 As\n-0.000013 0.744843 0.000000 Rh\n0.255144 0.255156 0.000000 Rh\n0.744830 -0.000000 0.000000 Rh\n",
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{
"id": "jvasp-98227",
"created_at": "2022-09-04T14:35:49.887183Z",
"updated_at": "2022-09-04T14:35:49.887209Z",
"structure_string": "Ca6 Ru4 O14\n1.0\n5.185529 -0.000000 -1.425853\n0.000000 5.589149 -0.000000\n0.000013 0.000000 10.142316\nCa Ru O\n6 4 14\ndirect\n0.733206 0.811584 0.000000 Ca\n0.266794 0.311584 0.000000 Ca\n0.933102 0.690942 0.377882 Ca\n0.066898 0.190942 0.622119 Ca\n0.444780 0.190942 0.377882 Ca\n0.555220 0.690942 0.622119 Ca\n0.850976 0.249823 0.197588 Ru\n0.346612 0.749823 0.197588 Ru\n0.653388 0.249823 0.802413 Ru\n0.149023 0.749823 0.802412 Ru\n0.522517 0.772758 0.398177 O\n0.477483 0.272758 0.601824 O\n0.065295 0.953142 0.235764 O\n0.843831 0.226278 0.000000 O\n0.156169 0.726278 0.000000 O\n0.365994 0.050355 0.840469 O\n0.634006 0.550355 0.159531 O\n0.474474 0.550355 0.840469 O\n0.525525 0.050355 0.159531 O\n0.829531 0.953142 0.764237 O\n0.170468 0.453142 0.235764 O\n0.934704 0.453142 0.764237 O\n0.124340 0.772758 0.601824 O\n0.875660 0.272758 0.398177 O\n",
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{
"id": "jvasp-68626",
"created_at": "2022-09-04T14:35:49.888672Z",
"updated_at": "2022-09-04T14:35:49.888699Z",
"structure_string": "Sr2 Be1 Bi1\n1.0\n-2.359431 2.359431 5.725009\n2.359431 -2.359431 5.725009\n2.359431 2.359431 -5.725009\nSr Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Bi\n",
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{
"id": "jvasp-65747",
"created_at": "2022-09-04T14:35:49.889905Z",
"updated_at": "2022-09-04T14:35:49.889932Z",
"structure_string": "Ba1 Li4 Cr1\n1.0\n-0.000000 4.017172 4.017172\n4.017172 0.000000 4.017172\n4.017172 4.017172 -0.000000\nBa Li Cr\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.109658 0.630114 0.630114 Li\n0.630114 0.630114 0.630114 Li\n0.630114 0.109658 0.630114 Li\n0.630114 0.630114 0.109658 Li\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 6,
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"formula_full": "Ba1 Li4 Cr1",
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{
"id": "jvasp-65011",
"created_at": "2022-09-04T14:35:49.892344Z",
"updated_at": "2022-09-04T14:35:49.892370Z",
"structure_string": "Sr1 Mg4 Be1\n1.0\n0.000000 4.242342 4.242342\n4.242342 0.000000 4.242342\n4.242342 4.242342 -0.000000\nSr Mg Be\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.122625 0.625792 0.625792 Mg\n0.625792 0.625792 0.625792 Mg\n0.625792 0.122625 0.625792 Mg\n0.625792 0.625792 0.122625 Mg\n0.000000 0.000000 0.000000 Be\n",
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{
"id": "jvasp-97338",
"created_at": "2022-09-04T14:35:49.898127Z",
"updated_at": "2022-09-04T14:35:49.898153Z",
"structure_string": "Si4 P8 O28\n1.0\n4.719719 0.093114 0.000000\n0.013549 7.652106 0.000000\n0.000000 0.000000 12.040985\nSi P O\n4 8 28\ndirect\n0.283959 0.347643 0.849299 Si\n0.216041 0.152357 0.349299 Si\n0.783960 0.847643 0.650701 Si\n0.716041 0.652357 0.150701 Si\n0.715570 0.052485 0.195405 P\n0.302848 0.804393 0.482501 P\n0.284430 0.947515 0.804595 P\n0.215570 0.552486 0.304595 P\n0.802848 0.304393 0.017500 P\n0.697153 0.195607 0.517500 P\n0.784430 0.447514 0.695406 P\n0.197153 0.695607 0.982501 P\n0.085407 0.864899 0.566848 O\n0.828816 0.435420 0.112319 O\n0.671184 0.064579 0.612319 O\n0.171184 0.564580 0.887682 O\n0.328816 0.935421 0.387682 O\n0.585407 0.364899 0.933153 O\n0.914594 0.135101 0.433153 O\n0.414593 0.635101 0.066848 O\n0.512225 0.168528 0.261945 O\n0.910342 0.739638 0.035383 O\n0.987775 0.331472 0.761945 O\n0.487775 0.831472 0.738056 O\n0.012225 0.668528 0.238055 O\n0.021686 0.067177 0.233964 O\n0.478314 0.432823 0.733964 O\n0.978314 0.932823 0.766036 O\n0.521686 0.567177 0.266036 O\n0.410342 0.239638 0.464617 O\n0.610168 0.867446 0.186727 O\n0.389832 0.132554 0.813274 O\n0.110168 0.367446 0.313273 O\n0.202365 0.624529 0.430195 O\n0.297636 0.875471 0.930196 O\n0.797636 0.375471 0.569805 O\n0.702365 0.124529 0.069805 O\n0.589658 0.760362 0.535383 O\n0.889832 0.632554 0.686727 O\n0.089658 0.260362 0.964617 O\n",
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{
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"structure_string": "Ba1 In1 Ge1\n1.0\n4.636418 0.000000 0.000000\n-2.318209 4.015256 0.000000\n-0.000000 -0.000000 5.169116\nBa In Ge\n1 1 1\ndirect\n0.000000 0.000000 0.012784 Ba\n0.333333 0.666668 0.561055 In\n0.666667 0.333333 0.426163 Ge\n",
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{
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"created_at": "2022-09-04T14:35:49.902297Z",
"updated_at": "2022-09-04T14:35:49.902328Z",
"structure_string": "Li1 Ac1 O3\n1.0\n3.899882 0.000000 0.000000\n0.000000 3.899882 0.000000\n0.000000 0.000000 3.899882\nLi Ac O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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}
]
}