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{
"id": "jvasp-24297",
"created_at": "2022-09-04T14:38:29.039496Z",
"updated_at": "2022-09-04T14:38:29.039527Z",
"structure_string": "Ba2 Zr2 B4 O12\n1.0\n5.062687 -0.013300 10.546902\n2.389684 4.463226 10.546902\n-0.022273 -0.013300 11.699036\nBa Zr B O\n2 2 4 12\ndirect\n0.999833 0.999833 0.999832 Ba\n0.499833 0.499833 0.499832 Ba\n0.249831 0.249831 0.249831 Zr\n0.749831 0.749832 0.749831 Zr\n0.880524 0.880524 0.880523 B\n0.119139 0.119139 0.119139 B\n0.619139 0.619140 0.619139 B\n0.380523 0.380524 0.380523 B\n0.914111 0.027165 0.418222 O\n0.027166 0.418223 0.914110 O\n0.472513 0.081438 0.585536 O\n0.414109 0.918223 0.527165 O\n0.918223 0.527166 0.414109 O\n0.085536 0.581438 0.972513 O\n0.581437 0.972514 0.085536 O\n0.527166 0.414110 0.918222 O\n0.585536 0.472513 0.081437 O\n0.081437 0.585536 0.472513 O\n0.418222 0.914111 0.027165 O\n0.972514 0.085536 0.581437 O\n",
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{
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"structure_string": "Nd1 Sm1 Mn4 Ge4\n1.0\n3.985557 -0.000000 0.000000\n0.000000 3.985557 0.000000\n-0.000000 -0.000000 10.912024\nNd Sm Mn Ge\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Sm\n-0.000000 0.500000 0.251800 Mn\n0.500000 0.000000 0.748200 Mn\n0.500000 0.000000 0.251800 Mn\n-0.000000 0.500000 0.748200 Mn\n0.500000 0.500000 0.125101 Ge\n0.000000 0.000000 0.621880 Ge\n0.000000 0.000000 0.378120 Ge\n0.500000 0.500000 0.874899 Ge\n",
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{
"id": "jvasp-20453",
"created_at": "2022-09-04T14:38:18.580229Z",
"updated_at": "2022-09-04T14:38:18.580252Z",
"structure_string": "Mg2 Fe2 P8 O24\n1.0\n7.230702 0.026748 -0.011896\n-2.441412 6.806076 0.011012\n-3.284442 -2.791517 8.758685\nMg Fe P O\n2 2 8 24\ndirect\n0.198336 0.948011 0.249857 Mg\n0.802103 0.051788 0.749855 Mg\n0.000222 0.999902 0.499857 Fe\n0.000219 0.499900 0.999855 Fe\n0.295468 0.248044 0.021300 P\n0.273516 0.726093 0.521299 P\n0.704975 0.751759 0.978415 P\n0.726920 0.273703 0.478414 P\n0.490772 0.297047 0.800447 P\n0.003663 0.309937 0.300447 P\n0.509669 0.702756 0.199267 P\n0.996768 0.689858 0.699262 P\n0.303189 0.722203 0.186523 O\n0.510412 0.841934 0.593973 O\n0.748144 0.915981 0.905739 O\n0.865467 0.192523 0.584691 O\n0.108014 0.280318 0.915026 O\n0.134973 0.807280 0.415025 O\n0.892428 0.719485 0.084689 O\n0.964575 0.883597 0.686517 O\n0.697249 0.277594 0.813189 O\n0.035863 0.116202 0.313194 O\n0.046067 0.650359 0.849642 O\n0.218899 0.494754 0.432483 O\n0.954363 0.349436 0.150067 O\n0.699545 0.803832 0.349645 O\n0.781533 0.505045 0.567226 O\n0.437989 0.213841 0.932481 O\n0.252299 0.083821 0.093974 O\n0.562452 0.785962 0.067232 O\n0.187679 0.687423 0.651774 O\n0.535831 0.535448 0.847940 O\n0.812755 0.312371 0.347937 O\n0.464614 0.464355 0.151775 O\n0.300895 0.195976 0.650067 O\n0.490025 0.157858 0.405742 O\n",
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{
"id": "jvasp-108940",
"created_at": "2022-09-04T14:38:18.583191Z",
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"structure_string": "Fe1 Cu2 Ge1 S4\n1.0\n4.850638 0.013199 -4.337373\n-0.961861 4.754333 -4.337373\n-0.010766 -0.013199 6.507025\nFe Cu Ge S\n1 2 1 4\ndirect\n0.750000 0.250000 0.500001 Fe\n0.250000 0.749999 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000001 Ge\n0.120667 0.125010 0.499502 S\n0.625508 0.621165 0.500499 S\n0.378835 0.879332 0.004343 S\n0.874990 0.374492 0.995659 S\n",
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{
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"created_at": "2022-09-04T14:38:27.656650Z",
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"structure_string": "K2 Na1 As1 F6\n1.0\n5.228984 -0.000000 3.018955\n1.742995 4.929933 3.018955\n-0.000000 -0.000000 6.037910\nK Na As F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250001 K\n0.749999 0.750000 0.750002 K\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 As\n0.241255 0.241255 0.758746 F\n0.241254 0.758745 0.758746 F\n0.758744 0.758745 0.241257 F\n0.241254 0.758745 0.241256 F\n0.758744 0.241255 0.758746 F\n0.758744 0.241255 0.241256 F\n",
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"formula_full": "K2 Na1 As1 F6",
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{
"id": "jvasp-108831",
"created_at": "2022-09-04T14:38:27.659352Z",
"updated_at": "2022-09-04T14:38:27.659369Z",
"structure_string": "Li1 Ni3 O3 F1\n1.0\n2.877544 -0.000000 0.000000\n0.000000 2.877544 0.000000\n-0.000000 -0.000000 8.661831\nLi Ni O F\n1 3 3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.499999 0.499999 0.755465 Ni\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.244535 Ni\n0.000000 0.000000 0.752109 O\n0.499999 0.499999 -0.000000 O\n0.000000 0.000000 0.247891 O\n0.499999 0.499999 0.500000 F\n",
"nsites": 8,
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{
"id": "jvasp-42543",
"created_at": "2022-09-04T14:38:17.734649Z",
"updated_at": "2022-09-04T14:38:17.734672Z",
"structure_string": "Li2 Fe3 O3 F5\n1.0\n5.853781 0.000557 0.000506\n-2.926549 -5.085777 0.048397\n-2.926555 1.661896 -4.780917\nLi Fe O F\n2 3 3 5\ndirect\n0.741360 0.626644 0.377119 Li\n0.262404 0.626646 0.377117 Li\n0.225844 0.585070 0.866616 Fe\n0.507799 0.253107 0.762510 Fe\n0.764507 0.149663 0.379351 Fe\n0.754600 0.365209 0.610349 O\n0.755817 0.360863 0.150770 O\n0.220966 0.365220 0.610350 O\n0.230262 0.845319 0.615201 F\n0.723948 0.882045 0.136290 F\n0.278295 0.411629 0.144964 F\n0.739813 0.896556 0.583075 F\n0.294376 0.882025 0.136284 F\n",
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{
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"created_at": "2022-09-04T14:38:09.701272Z",
"updated_at": "2022-09-04T14:38:09.701297Z",
"structure_string": "Li2 Mn2 P2 O8\n1.0\n4.989563 0.000000 -0.000000\n-2.494781 1.440362 7.850820\n2.494781 -4.321088 -0.000000\nLi Mn P O\n2 2 2 8\ndirect\n0.141710 0.425130 0.141710 Li\n0.433798 0.301397 0.433799 Li\n0.012989 0.038966 0.012989 Mn\n0.562516 0.687547 0.562517 Mn\n0.864430 0.593290 0.864431 P\n0.711072 0.133220 0.711073 P\n0.149437 0.531427 0.557581 O\n0.017923 0.195084 0.751094 O\n0.426066 0.195084 0.017924 O\n0.645623 0.936870 0.645625 O\n0.824407 0.531427 0.149437 O\n0.557580 0.531427 0.824408 O\n0.751093 0.195084 0.426066 O\n0.929879 0.789639 0.929881 O\n",
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"structure_string": "Na1 Zr2 Zn1 F11\n1.0\n5.325843 0.013108 2.019990\n1.014824 5.228280 2.019990\n0.001701 0.001406 7.829418\nNa Zr Zn F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.506284 0.506286 0.764143 Zr\n0.493714 0.493716 0.235858 Zr\n-0.000000 0.000000 0.500000 Zn\n0.813829 0.222529 0.687457 F\n0.777471 0.186171 0.312543 F\n0.186170 0.777472 0.312543 F\n0.222527 0.813830 0.687457 F\n0.499999 0.500001 0.500000 F\n0.328040 0.671960 0.000000 F\n0.671959 0.328041 0.000000 F\n0.246249 0.246249 0.347865 F\n0.753750 0.753752 0.652135 F\n0.266767 0.266769 0.891484 F\n0.733231 0.733233 0.108516 F\n",
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{
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"created_at": "2022-09-04T14:38:09.182770Z",
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"structure_string": "Ba1 Ca1 Fe4 O8\n1.0\n2.736583 -4.739902 0.000000\n2.736583 4.739902 -0.000000\n-0.000000 -0.000000 7.727790\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.242624 Fe\n0.666666 0.333332 0.242624 Fe\n0.333332 0.666666 0.757376 Fe\n0.666666 0.333332 0.757376 Fe\n0.328022 -0.000000 0.303633 O\n0.671977 0.671977 0.303633 O\n-0.000000 0.328022 0.303633 O\n0.671977 -0.000000 0.696367 O\n-0.000000 0.671977 0.696367 O\n0.328022 0.328022 0.696367 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
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]
}