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{
"id": "jvasp-45835",
"created_at": "2022-09-04T14:38:01.454968Z",
"updated_at": "2022-09-04T14:38:01.454979Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n7.226637 -0.000000 0.000000\n0.000000 7.226637 0.000000\n0.000000 0.000000 7.226637\nLi V Si O\n4 4 4 16\ndirect\n0.250965 0.249035 0.750965 Li\n0.750965 0.250965 0.249035 Li\n0.749035 0.749035 0.749035 Li\n0.249035 0.750965 0.250965 Li\n0.808293 0.191708 0.691708 V\n0.308292 0.308292 0.308292 V\n0.191708 0.691708 0.808293 V\n0.691708 0.808293 0.191708 V\n0.967658 0.532342 0.467658 Si\n0.532342 0.467658 0.967658 Si\n0.467658 0.967658 0.532342 Si\n0.032342 0.032342 0.032342 Si\n0.115891 0.819199 0.029512 O\n0.470488 0.884109 0.319199 O\n0.970488 0.615892 0.680801 O\n0.615892 0.680801 0.970488 O\n0.838672 0.661329 0.338671 O\n0.319199 0.470488 0.884109 O\n0.180801 0.529512 0.384109 O\n0.161329 0.161329 0.161329 O\n0.884109 0.319199 0.470488 O\n0.529512 0.384109 0.180801 O\n0.029512 0.115891 0.819199 O\n0.384109 0.180801 0.529512 O\n0.338671 0.838672 0.661329 O\n0.680801 0.970488 0.615892 O\n0.661329 0.338671 0.838672 O\n0.819199 0.029512 0.115891 O\n",
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{
"id": "jvasp-23740",
"created_at": "2022-09-04T14:37:39.225937Z",
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"structure_string": "Ba4 Ge4 Pt4\n1.0\n6.830964 0.000000 -0.000000\n-0.000000 6.830964 -0.000000\n0.000000 0.000000 6.830964\nBa Ge Pt\n4 4 4\ndirect\n0.134211 0.134211 0.134211 Ba\n0.634211 0.365789 0.865788 Ba\n0.365789 0.865788 0.634211 Ba\n0.865788 0.634211 0.365789 Ba\n0.339918 0.660081 0.160081 Ge\n0.160081 0.339918 0.660081 Ge\n0.660081 0.160081 0.339918 Ge\n0.839918 0.839918 0.839918 Ge\n0.411090 0.411090 0.411090 Pt\n0.088910 0.588909 0.911090 Pt\n0.911090 0.088910 0.588909 Pt\n0.588909 0.911090 0.088910 Pt\n",
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"volume": 318.74691466097084,
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"formula_full": "Ba4 Ge4 Pt4",
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"spacegroup": 198
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{
"id": "jvasp-54379",
"created_at": "2022-09-04T14:37:39.517917Z",
"updated_at": "2022-09-04T14:37:39.517945Z",
"structure_string": "Na4 Cl4 O12\n1.0\n6.541553 -0.000000 -0.000000\n-0.000000 6.541553 -0.000000\n-0.000000 0.000000 6.541553\nNa Cl O\n4 4 12\ndirect\n0.070415 0.070415 0.070415 Na\n0.929584 0.570415 0.429584 Na\n0.429584 0.929584 0.570415 Na\n0.570415 0.429584 0.929584 Na\n0.914078 0.085922 0.585921 Cl\n0.585921 0.914078 0.085922 Cl\n0.414078 0.414078 0.414078 Cl\n0.085922 0.585921 0.914078 Cl\n0.701021 0.093701 -0.000637 O\n0.201021 0.406299 0.000637 O\n0.406299 0.000637 0.201021 O\n0.093701 -0.000637 0.701021 O\n0.906299 0.499363 0.798979 O\n0.499363 0.798979 0.906299 O\n-0.000637 0.701021 0.093701 O\n0.798979 0.906299 0.499363 O\n0.500636 0.298979 0.593700 O\n0.000637 0.201021 0.406299 O\n0.298979 0.593700 0.500636 O\n0.593700 0.500636 0.298979 O\n",
"nsites": 20,
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"elements": [
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"density": 2.525662501002097,
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"formula_full": "Na4 Cl4 O12",
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{
"id": "jvasp-23550",
"created_at": "2022-09-04T14:37:40.325074Z",
"updated_at": "2022-09-04T14:37:40.325100Z",
"structure_string": "Ba4 P4 Pt4\n1.0\n6.613543 -0.000000 -0.000000\n0.000000 6.613543 0.000000\n0.000000 0.000000 6.613543\nBa P Pt\n4 4 4\ndirect\n0.640125 0.359875 0.859875 Ba\n0.359875 0.859875 0.640125 Ba\n0.140125 0.140125 0.140125 Ba\n0.859875 0.640125 0.359875 Ba\n0.582103 0.917896 0.082104 P\n0.082104 0.582103 0.917896 P\n0.917896 0.082104 0.582103 P\n0.417896 0.417896 0.417896 P\n0.151595 0.348405 0.651595 Pt\n0.651595 0.151595 0.348405 Pt\n0.848404 0.848404 0.848404 Pt\n0.348405 0.651595 0.151595 Pt\n",
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"formula_full": "Ba4 P4 Pt4",
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{
"id": "jvasp-35623",
"created_at": "2022-09-04T14:37:40.706740Z",
"updated_at": "2022-09-04T14:37:40.706756Z",
"structure_string": "Ga4 Pt4\n1.0\n4.972623 0.000000 -0.000000\n-0.000000 4.972623 0.000000\n0.000000 0.000000 4.972623\nGa Pt\n4 4\ndirect\n0.092447 0.092447 0.092447 Ga\n0.407552 0.907552 0.592447 Ga\n0.907552 0.592447 0.407552 Ga\n0.592447 0.407552 0.907552 Ga\n0.400370 0.400370 0.400370 Pt\n0.099630 0.599630 0.900369 Pt\n0.599630 0.900369 0.099630 Pt\n0.900369 0.099630 0.599630 Pt\n",
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"elements": [
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"volume": 122.95794698286993,
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"formula_full": "Ga4 Pt4",
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{
"id": "jvasp-13041",
"created_at": "2022-09-04T14:37:51.628467Z",
"updated_at": "2022-09-04T14:37:51.628493Z",
"structure_string": "Bi4 Te4 Pt4\n1.0\n6.779918 -0.000000 -0.000000\n-0.000000 6.779918 -0.000000\n-0.000000 -0.000000 6.779918\nBi Te Pt\n4 4 4\ndirect\n0.368983 0.368983 0.368983 Bi\n0.131018 0.631018 0.868983 Bi\n0.868983 0.131018 0.631018 Bi\n0.631018 0.868983 0.131018 Bi\n0.627059 0.627059 0.627059 Te\n0.872941 0.372941 0.127059 Te\n0.127059 0.872941 0.372941 Te\n0.372941 0.127059 0.872941 Te\n0.004153 0.004153 0.004153 Pt\n0.495847 0.995847 0.504153 Pt\n0.504153 0.495847 0.995847 Pt\n0.995847 0.504153 0.495847 Pt\n",
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],
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"density": 11.331133231321592,
"density_atomic": 0.03850418383076641,
"volume": 311.65444391036567,
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"formula_full": "Bi4 Te4 Pt4",
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{
"id": "jvasp-56279",
"created_at": "2022-09-04T14:37:52.476178Z",
"updated_at": "2022-09-04T14:37:52.476202Z",
"structure_string": "Zr4 Sb4\n1.0\n5.693676 0.000000 0.000000\n-0.000000 5.693676 -0.000000\n-0.000000 -0.000000 5.693676\nZr Sb\n4 4\ndirect\n0.356076 0.856076 0.643925 Zr\n0.643925 0.356076 0.856076 Zr\n0.856076 0.643925 0.356076 Zr\n0.143924 0.143924 0.143924 Zr\n0.342490 0.657510 0.157510 Sb\n0.842491 0.842491 0.842491 Sb\n0.657510 0.157510 0.342490 Sb\n0.157510 0.342490 0.657510 Sb\n",
"nsites": 8,
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],
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"volume": 184.577283346974,
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"formula_full": "Zr4 Sb4",
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},
{
"id": "jvasp-20159",
"created_at": "2022-09-04T14:37:53.955801Z",
"updated_at": "2022-09-04T14:37:53.955811Z",
"structure_string": "Al4 Au16\n1.0\n7.037880 0.000000 -0.000000\n-0.000000 7.037880 0.000000\n0.000000 -0.000000 7.037880\nAl Au\n4 16\ndirect\n0.064305 0.064305 0.064305 Al\n0.435695 0.935695 0.564305 Al\n0.564305 0.435695 0.935695 Al\n0.935695 0.564305 0.435695 Al\n0.283469 0.551638 0.611253 Au\n0.448362 0.111253 0.216531 Au\n0.611253 0.283469 0.551638 Au\n0.111253 0.216531 0.448362 Au\n0.051638 0.888747 0.716532 Au\n0.888747 0.716532 0.051638 Au\n0.551638 0.611253 0.283469 Au\n0.388747 0.783469 0.948362 Au\n0.216531 0.448362 0.111253 Au\n0.783469 0.948362 0.388747 Au\n0.317401 0.182599 0.817401 Au\n0.182599 0.817401 0.317401 Au\n0.817401 0.317401 0.182599 Au\n0.682599 0.682599 0.682599 Au\n0.948362 0.388747 0.783469 Au\n0.716532 0.051638 0.888747 Au\n",
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{
"id": "jvasp-16312",
"created_at": "2022-09-04T14:37:54.166360Z",
"updated_at": "2022-09-04T14:37:54.166380Z",
"structure_string": "Co4 Ge4\n1.0\n4.654218 -0.000000 0.000000\n0.000000 4.654218 -0.000000\n0.000000 -0.000000 4.654218\nCo Ge\n4 4\ndirect\n0.132438 0.132438 0.132438 Co\n0.367562 0.867562 0.632439 Co\n0.632439 0.367562 0.867562 Co\n0.867562 0.632439 0.367562 Co\n0.837889 0.837889 0.837889 Ge\n0.662111 0.162111 0.337889 Ge\n0.337889 0.662111 0.162111 Ge\n0.162111 0.337889 0.662111 Ge\n",
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{
"id": "jvasp-16377",
"created_at": "2022-09-04T14:37:57.674751Z",
"updated_at": "2022-09-04T14:37:57.674765Z",
"structure_string": "Al4 Pt4\n1.0\n4.923696 0.000000 -0.000000\n-0.000000 4.923696 0.000000\n-0.000000 -0.000000 4.923696\nAl Pt\n4 4\ndirect\n0.843317 0.843317 0.843317 Al\n0.656684 0.156684 0.343316 Al\n0.343316 0.656684 0.156684 Al\n0.156684 0.343316 0.656684 Al\n0.158096 0.158096 0.158096 Pt\n0.341905 0.841905 0.658096 Pt\n0.658096 0.341905 0.841905 Pt\n0.841905 0.658096 0.341905 Pt\n",
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{
"id": "jvasp-43368",
"created_at": "2022-09-04T14:38:00.999219Z",
"updated_at": "2022-09-04T14:38:00.999234Z",
"structure_string": "Ag4 Cl4 O12\n1.0\n6.657347 0.000000 -0.000000\n-0.000000 6.657347 0.000000\n0.000000 0.000000 6.657347\nAg Cl O\n4 4 12\ndirect\n0.077369 0.077369 0.077369 Ag\n0.422631 0.922632 0.577369 Ag\n0.577369 0.422631 0.922632 Ag\n0.922632 0.577369 0.422631 Ag\n0.086993 0.586993 0.913008 Cl\n0.413008 0.413008 0.413008 Cl\n0.586993 0.913008 0.086993 Cl\n0.913008 0.086993 0.586993 Cl\n0.796915 0.914268 0.494356 O\n0.703086 0.085733 0.994356 O\n0.585733 0.505645 0.296915 O\n0.505645 0.296915 0.585733 O\n0.494356 0.796915 0.914268 O\n0.085733 0.994356 0.703086 O\n0.296915 0.585733 0.505645 O\n0.203086 0.414268 0.005644 O\n0.914268 0.494356 0.796915 O\n0.005644 0.203086 0.414268 O\n0.414268 0.005644 0.203086 O\n0.994356 0.703086 0.085733 O\n",
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{
"id": "jvasp-34773",
"created_at": "2022-09-04T14:38:04.201401Z",
"updated_at": "2022-09-04T14:38:04.201426Z",
"structure_string": "Na4 Cl4 O12\n1.0\n6.540728 0.000000 -0.000000\n-0.000000 6.540728 -0.000000\n-0.000000 -0.000000 6.540728\nNa Cl O\n4 4 12\ndirect\n0.070369 0.070369 0.070369 Na\n0.429631 0.929632 0.570369 Na\n0.570369 0.429631 0.929632 Na\n0.929632 0.570369 0.429631 Na\n0.414062 0.414062 0.414062 Cl\n0.085939 0.585939 0.914062 Cl\n0.914062 0.085939 0.585939 Cl\n0.585939 0.914062 0.085939 Cl\n0.500555 0.298973 0.593755 O\n0.298973 0.593755 0.500555 O\n0.000555 0.201027 0.406246 O\n0.406246 0.000555 0.201027 O\n0.999445 0.701028 0.093755 O\n0.701028 0.093755 0.999445 O\n0.093755 0.999445 0.701028 O\n0.798973 0.906246 0.499445 O\n0.593755 0.500555 0.298973 O\n0.201027 0.406246 0.000555 O\n0.499445 0.798973 0.906246 O\n0.906246 0.499445 0.798973 O\n",
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]
}