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{
"id": "jvasp-109819",
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"structure_string": "Li2 V2 O6\n1.0\n6.120894 -0.066346 1.435263\n5.469357 2.748796 1.435263\n-0.103608 -0.023979 6.013671\nLi V O\n2 2 6\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.669176 0.669176 0.201383 V\n0.330824 0.330824 0.798616 V\n0.181615 0.181615 0.380058 O\n0.827622 0.827621 0.037615 O\n0.818385 0.818384 0.619941 O\n0.475083 0.475082 0.757005 O\n0.524917 0.524917 0.242994 O\n0.172378 0.172378 0.962384 O\n",
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{
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"structure_string": "Sc2 Bi2 O6\n1.0\n5.000705 -0.017753 3.263243\n1.758046 4.681522 3.263243\n-0.025727 -0.017753 5.971194\nSc Bi O\n2 2 6\ndirect\n0.852015 0.852014 0.852012 Sc\n0.147986 0.147986 0.147986 Sc\n0.636458 0.636458 0.636456 Bi\n0.363543 0.363543 0.363542 Bi\n0.553342 0.983398 0.202622 O\n0.797377 0.446660 0.016601 O\n0.016603 0.797376 0.446659 O\n0.983398 0.202625 0.553339 O\n0.202624 0.553341 0.983397 O\n0.446659 0.016603 0.797375 O\n",
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{
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"created_at": "2022-09-04T14:38:18.455844Z",
"updated_at": "2022-09-04T14:38:18.455866Z",
"structure_string": "Rb2 Pd1 Au1 F6\n1.0\n5.373507 -0.000000 3.102396\n1.791169 5.066191 3.102396\n-0.000000 -0.000000 6.204792\nRb Pd Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n0.239031 0.239030 0.760970 F\n0.239031 0.760969 0.760970 F\n0.760970 0.760969 0.239031 F\n0.239031 0.760969 0.239031 F\n0.760970 0.239030 0.760970 F\n0.760970 0.239030 0.239031 F\n",
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"density_atomic": 0.059201593221303604,
"volume": 168.91437300713582,
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"formula_full": "Rb2 Pd1 Au1 F6",
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{
"id": "jvasp-38110",
"created_at": "2022-09-04T14:38:28.794102Z",
"updated_at": "2022-09-04T14:38:28.794122Z",
"structure_string": "Rb2 Br1 Cl6 F1\n1.0\n-0.000000 5.043352 5.043352\n5.043352 -0.000000 5.043352\n5.043352 5.043352 0.000000\nRb Br Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Br\n0.254188 0.745812 0.745812 Cl\n0.254188 0.745812 0.254188 Cl\n0.745812 0.254188 0.745812 Cl\n0.745812 0.745812 0.254188 Cl\n0.254188 0.254188 0.745812 Cl\n0.745812 0.254188 0.254188 Cl\n0.000000 0.000000 0.000000 F\n",
"nsites": 10,
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"density_atomic": 0.0389773368290049,
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"formula_full": "Rb2 Br1 Cl6 F1",
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{
"id": "jvasp-110704",
"created_at": "2022-09-04T14:38:37.418580Z",
"updated_at": "2022-09-04T14:38:37.418608Z",
"structure_string": "Rb2 Ag1 Bi1 I6\n1.0\n7.381539 -0.000000 4.261733\n2.460513 6.959381 4.261733\n-0.000000 -0.000000 8.523467\nRb Ag Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.745277 0.254723 0.254722 I\n0.254723 0.254723 0.745277 I\n0.254723 0.745277 0.745277 I\n0.254723 0.745277 0.254723 I\n0.745277 0.254723 0.745277 I\n0.745277 0.745277 0.254722 I\n",
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{
"id": "jvasp-52209",
"created_at": "2022-09-04T14:38:27.671039Z",
"updated_at": "2022-09-04T14:38:27.671059Z",
"structure_string": "Li1 Cu1 P2 O6\n1.0\n-5.030522 -0.000253 -0.000068\n2.514512 4.645037 -0.000277\n-0.000213 -0.000772 -5.642028\nLi Cu P O\n1 1 2 6\ndirect\n0.000001 0.000035 0.666729 Li\n0.499902 0.999827 0.666563 Cu\n-0.000051 0.499927 0.337090 P\n0.500042 0.500067 0.996248 P\n0.668771 0.776227 0.861654 O\n0.107247 0.775975 0.471877 O\n0.270850 0.541672 0.166711 O\n0.729165 0.458278 0.166630 O\n0.892570 0.223825 0.471760 O\n0.331395 0.224067 0.861412 O\n",
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"volume": 131.8334590603087,
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"formula_full": "Li1 Cu1 P2 O6",
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{
"id": "jvasp-40150",
"created_at": "2022-09-04T14:38:17.919862Z",
"updated_at": "2022-09-04T14:38:17.919889Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n-3.547179 6.143943 -0.000009\n-7.094404 -0.000016 -0.000002\n-3.547192 2.047982 5.367534\nCa Sn S\n2 2 6\ndirect\n0.749999 0.750001 0.749997 Ca\n0.250001 0.250001 0.249998 Ca\n0.500000 0.500000 0.499999 Sn\n0.000000 -0.000000 -0.000000 Sn\n0.749999 0.361721 0.750000 S\n0.361722 0.138278 0.750003 S\n0.138278 0.749999 0.750002 S\n0.638277 0.861722 0.250004 S\n0.861721 0.249999 0.250001 S\n0.250000 0.638278 0.250000 S\n",
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"density": 3.619524820970413,
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"volume": 233.95846347883287,
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{
"id": "jvasp-107819",
"created_at": "2022-09-04T14:38:17.881453Z",
"updated_at": "2022-09-04T14:38:17.881478Z",
"structure_string": "K2 Ag1 Sb1 Cl6\n1.0\n6.478854 -0.000000 3.740568\n2.159618 6.108322 3.740568\n-0.000000 -0.000000 7.481136\nK Ag Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Sb\n0.750098 0.249901 0.249902 Cl\n0.249902 0.249901 0.750099 Cl\n0.249902 0.750098 0.750099 Cl\n0.249902 0.750098 0.249902 Cl\n0.750098 0.249901 0.750099 Cl\n0.750098 0.750098 0.249902 Cl\n",
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{
"id": "jvasp-109903",
"created_at": "2022-09-04T14:38:18.457420Z",
"updated_at": "2022-09-04T14:38:18.457443Z",
"structure_string": "Li1 Ti2 Bi1 O6\n1.0\n4.707844 -0.006970 2.912429\n1.619516 4.420522 2.912429\n-0.009993 -0.006970 5.535877\nLi Ti Bi O\n1 2 1 6\ndirect\n0.700049 0.700048 0.700049 Li\n0.988165 0.988164 0.988165 Ti\n0.486265 0.486265 0.486265 Ti\n0.218959 0.218958 0.218959 Bi\n0.264808 0.820309 0.683724 O\n0.820310 0.683723 0.264807 O\n0.683724 0.264807 0.820310 O\n0.344804 0.766405 0.160713 O\n0.160714 0.344804 0.766405 O\n0.766404 0.160713 0.344804 O\n",
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{
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"created_at": "2022-09-04T14:38:16.747764Z",
"updated_at": "2022-09-04T14:38:16.747775Z",
"structure_string": "Li1 Mn3 O4 F2\n1.0\n4.161819 -0.063809 2.603660\n-1.067427 4.618975 -2.795126\n0.013386 0.031636 5.403691\nLi Mn O F\n1 3 4 2\ndirect\n0.602140 0.893609 0.611637 Li\n0.156516 0.436614 0.163694 Mn\n0.380323 0.071892 0.353118 Mn\n0.830519 0.502437 0.853458 Mn\n0.094450 0.280990 0.459498 O\n0.543506 0.739764 0.217350 O\n0.764862 0.267138 0.104585 O\n0.449489 0.261151 0.765483 O\n0.225522 0.767552 0.929988 F\n0.952678 0.778859 0.541184 F\n",
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"created_at": "2022-09-04T14:38:17.852673Z",
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"structure_string": "Ba2 Hf1 U1 O6\n1.0\n5.288215 0.000000 3.053152\n1.762738 4.985777 3.053153\n0.000000 -0.000000 6.106305\nBa Hf U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 U\n0.757652 0.242349 0.242348 O\n0.242349 0.757652 0.757651 O\n0.242349 0.757652 0.242348 O\n0.757652 0.242349 0.757651 O\n0.242349 0.242349 0.757652 O\n0.757652 0.757652 0.242347 O\n",
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"updated_at": "2022-09-04T14:38:12.622968Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n4.542487 0.043857 3.126963\n1.666834 4.225846 3.126963\n0.063780 0.043857 5.514347\nTi Fe O\n2 2 6\ndirect\n0.647498 0.647501 0.647498 Ti\n0.352500 0.352502 0.352500 Ti\n0.851998 0.852001 0.851999 Fe\n0.148000 0.148001 0.148000 Fe\n0.062946 0.732690 0.444470 O\n0.732689 0.444471 0.062946 O\n0.444470 0.062948 0.732689 O\n0.937053 0.267312 0.555529 O\n0.555529 0.937054 0.267310 O\n0.267310 0.555531 0.937053 O\n",
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}