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{
"id": "jvasp-90817",
"created_at": "2022-09-04T14:36:06.525463Z",
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{
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{
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"structure_string": "Mg2 V2 F8\n1.0\n5.061682 -0.015570 -0.001811\n-0.110661 5.471297 0.010203\n-1.794664 -1.946089 5.073571\nMg V F\n2 2 8\ndirect\n0.742302 0.675957 0.483088 Mg\n0.250396 0.323000 0.511920 Mg\n0.496348 0.999484 0.997503 V\n0.996350 0.499488 0.997505 V\n0.150021 0.668072 0.745769 F\n0.288887 0.019015 0.251181 F\n0.842678 0.330894 0.249242 F\n0.338164 0.547629 0.315509 F\n0.703818 0.979944 0.743829 F\n0.217819 0.215338 0.801068 F\n0.654531 0.451335 0.679497 F\n0.774880 0.783634 0.193946 F\n",
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{
"id": "jvasp-102870",
"created_at": "2022-09-04T14:36:42.968134Z",
"updated_at": "2022-09-04T14:36:42.968153Z",
"structure_string": "K2 Sc1 Au1 Cl6\n1.0\n6.318026 -0.000000 3.647714\n2.106009 5.956691 3.647714\n0.000000 0.000000 7.295428\nK Sc Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Au\n0.759839 0.240161 0.240161 Cl\n0.240162 0.240161 0.759839 Cl\n0.240162 0.759838 0.759838 Cl\n0.240162 0.759838 0.240161 Cl\n0.759839 0.240161 0.759838 Cl\n0.759839 0.759838 0.240160 Cl\n",
"nsites": 10,
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{
"id": "jvasp-49752",
"created_at": "2022-09-04T14:36:39.319099Z",
"updated_at": "2022-09-04T14:36:39.319126Z",
"structure_string": "Sr2 O2\n1.0\n1.779210 -3.081683 0.000000\n1.779210 3.081683 0.000000\n0.000000 -0.000000 6.227184\nSr O\n2 2\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
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{
"id": "jvasp-59062",
"created_at": "2022-09-04T14:38:13.593826Z",
"updated_at": "2022-09-04T14:38:13.593837Z",
"structure_string": "Pb7 Br2 F12\n1.0\n5.187229 -8.984545 0.000000\n5.187229 8.984545 0.000000\n0.000000 0.000000 4.012331\nPb Br F\n7 2 12\ndirect\n0.896812 0.305608 0.000000 Pb\n0.604469 0.893032 0.500000 Pb\n0.288563 0.395531 0.500000 Pb\n0.106968 0.711437 0.500000 Pb\n0.694392 0.591204 0.000000 Pb\n0.408796 0.103188 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.000000 Br\n0.666667 0.333333 0.500000 Br\n0.158397 0.883001 0.000000 F\n0.946424 0.567596 0.000000 F\n0.432404 0.378828 0.000000 F\n0.621172 0.053576 0.000000 F\n0.875502 0.084792 0.500000 F\n0.042021 0.428131 0.500000 F\n0.915208 0.790710 0.500000 F\n0.571869 0.613891 0.500000 F\n0.116999 0.275397 0.000000 F\n0.386109 0.957979 0.500000 F\n0.209290 0.124498 0.500000 F\n0.724603 0.841603 0.000000 F\n",
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"elements": [
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{
"id": "jvasp-50681",
"created_at": "2022-09-04T14:37:18.942988Z",
"updated_at": "2022-09-04T14:37:18.943014Z",
"structure_string": "Li4 Ag2 F10\n1.0\n-5.221233 -0.828547 0.000496\n3.481353 4.998463 -0.000998\n-0.000400 -0.002201 -8.759756\nLi Ag F\n4 2 10\ndirect\n0.147419 0.901542 0.922020 Li\n0.147452 0.901576 0.577997 Li\n-0.147464 0.098404 0.421989 Li\n-0.147454 0.098427 0.077996 Li\n0.680238 0.465538 0.250001 Ag\n0.319753 0.534465 0.750000 Ag\n0.557869 0.180272 0.408704 F\n0.557934 0.180348 0.091245 F\n0.825777 0.758395 0.409651 F\n0.825812 0.758423 0.090386 F\n0.897782 0.687891 0.750006 F\n0.102208 0.312076 0.249992 F\n0.174204 0.241601 0.909615 F\n0.174269 0.241642 0.590341 F\n0.442143 0.819739 0.591300 F\n0.442056 0.819652 0.908760 F\n",
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"density_atomic": 0.07868356861083163,
"volume": 203.34614052821988,
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"formula_full": "Li4 Ag2 F10",
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"formula_anonymous": "AB2C5",
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{
"id": "jvasp-32759",
"created_at": "2022-09-04T14:37:30.581750Z",
"updated_at": "2022-09-04T14:37:30.581766Z",
"structure_string": "Bi8 Br8\n1.0\n4.260515 0.000012 0.482609\n2.106291 6.754354 0.453266\n-0.067624 0.079003 19.638013\nBi Br\n8 8\ndirect\n0.831462 0.340808 0.996260 Bi\n0.168538 0.659191 0.003740 Bi\n0.827814 0.839772 0.504600 Bi\n0.794873 0.257677 0.152607 Bi\n0.205128 0.742321 0.847393 Bi\n0.172186 0.160227 0.495400 Bi\n0.930107 0.791982 0.347777 Bi\n0.069893 0.208017 0.652223 Bi\n0.862545 0.460959 0.813918 Br\n0.561626 0.501642 0.375067 Br\n0.548033 0.021031 0.882864 Br\n0.451968 0.978968 0.117136 Br\n0.438374 0.498357 0.624933 Br\n0.304656 0.077781 0.312897 Br\n0.695344 0.922218 0.687104 Br\n0.137455 0.539039 0.186082 Br\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:38:38.554412Z",
"updated_at": "2022-09-04T14:38:38.554420Z",
"structure_string": "Nd3 Mg3 Tl3\n1.0\n7.720482 0.000000 -0.000000\n-3.860241 6.686133 -0.000000\n-0.000000 -0.000000 4.725377\nNd Mg Tl\n3 3 3\ndirect\n0.575378 0.000000 0.000000 Nd\n-0.000000 0.575378 0.000000 Nd\n0.424622 0.424622 0.000000 Nd\n0.243503 0.000000 0.500000 Mg\n-0.000000 0.243503 0.500000 Mg\n0.756497 0.756497 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
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{
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"created_at": "2022-09-04T14:38:29.891768Z",
"updated_at": "2022-09-04T14:38:29.891795Z",
"structure_string": "Li4 Ag8 F16\n1.0\n6.158554 -0.000442 -0.003553\n0.001243 7.936709 -0.063225\n0.000113 0.063392 7.939465\nLi Ag F\n4 8 16\ndirect\n0.030359 0.249995 0.250036 Li\n0.524316 0.249983 0.249934 Li\n0.469633 0.750014 0.749965 Li\n0.975685 0.749954 0.750064 Li\n0.250170 0.895039 0.104978 Ag\n0.750291 0.920071 0.419996 Ag\n0.750079 0.580010 0.080033 Ag\n0.250194 0.605023 0.395021 Ag\n0.249849 0.395057 0.895051 Ag\n0.249788 0.105005 0.604979 Ag\n0.749942 0.080042 0.919946 Ag\n0.749681 0.420035 0.580045 Ag\n0.948232 0.516092 0.805718 F\n0.948694 0.805646 0.983902 F\n0.450101 0.804376 0.516559 F\n0.449687 0.695587 0.983325 F\n0.948959 0.694333 0.516184 F\n0.449345 0.516587 0.695548 F\n0.050535 0.483388 0.195636 F\n0.551746 0.016102 0.194265 F\n0.049792 0.304331 0.483468 F\n0.551384 0.305691 0.016128 F\n0.551032 0.194336 0.483787 F\n0.050281 0.195590 0.016657 F\n0.449542 0.983428 0.804358 F\n0.050682 0.016584 0.304449 F\n0.551564 0.483904 0.305634 F\n0.948412 0.983860 0.694389 F\n",
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{
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"created_at": "2022-09-04T14:38:41.513813Z",
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"structure_string": "Ag1 Pb1 Cl1\n1.0\n3.254495 -0.000000 0.000000\n-0.000000 3.254495 0.000000\n-0.000000 0.000000 7.987198\nAg Pb Cl\n1 1 1\ndirect\n0.000000 0.000000 0.311775 Ag\n0.000000 0.000000 0.673307 Pb\n0.000000 0.000000 0.005232 Cl\n",
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{
"id": "jvasp-79710",
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"structure_string": "Na2 Hg1 Bi1\n1.0\n-10.675519 0.010709 -6.146026\n-10.688190 -0.069316 6.167226\n-7.093824 10.097086 -0.058397\nNa Hg Bi\n2 1 1\ndirect\n0.741790 0.000087 0.000088 Na\n0.258210 0.999912 0.999912 Na\n-0.000000 -0.000000 0.000000 Hg\n0.500000 -0.000000 0.000000 Bi\n",
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}