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{
"id": "jvasp-12421",
"created_at": "2022-09-04T14:37:11.413010Z",
"updated_at": "2022-09-04T14:37:11.413030Z",
"structure_string": "Rb6 In2 S6\n1.0\n7.849482 0.017689 -0.857857\n-1.236694 7.373170 -3.164826\n0.012967 0.034007 8.118365\nRb In S\n6 2 6\ndirect\n0.000000 0.253611 0.746390 Rb\n0.500000 0.323839 0.676161 Rb\n0.353313 0.111586 0.111586 Rb\n0.500000 0.676161 0.323839 Rb\n0.000001 0.746390 0.253610 Rb\n0.646688 0.888415 0.888415 Rb\n0.148366 0.678191 0.678191 In\n0.851635 0.321809 0.321809 In\n0.722075 0.047949 0.347995 S\n0.819890 0.600890 0.600890 S\n0.180110 0.399110 0.399110 S\n0.277926 0.952052 0.652005 S\n0.277926 0.652006 0.952052 S\n0.722075 0.347995 0.047948 S\n",
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{
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"structure_string": "Na4 Pd2 F8\n1.0\n0.000000 3.430933 -0.028004\n5.629885 0.000000 0.000000\n0.000000 -0.826521 -9.959210\nNa Pd F\n4 2 8\ndirect\n0.719294 0.044248 0.651694 Na\n0.280706 0.544248 0.848306 Na\n0.280706 0.955753 0.348305 Na\n0.719293 0.455752 0.151694 Na\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.783835 0.680467 0.338511 F\n0.216164 0.180466 0.161488 F\n0.216164 0.319534 0.661488 F\n0.783836 0.819534 0.838511 F\n0.213187 0.805836 0.575039 F\n0.786813 0.305836 0.924960 F\n0.213187 0.694165 0.075039 F\n0.786813 0.194165 0.424960 F\n",
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{
"id": "jvasp-11520",
"created_at": "2022-09-04T14:37:11.341202Z",
"updated_at": "2022-09-04T14:37:11.341215Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.190235 -0.000029 2.996626\n1.730030 4.893490 2.996664\n-0.000015 0.000035 5.993279\nMg Mn O\n2 4 8\ndirect\n0.125000 0.125012 0.124996 Mg\n0.875001 0.874987 0.875004 Mg\n0.500001 0.499999 -0.000000 Mn\n0.500000 0.500001 0.499998 Mn\n1.000000 0.500000 0.500001 Mn\n0.499999 0.000001 0.500000 Mn\n0.738939 0.738922 0.738946 O\n0.261060 0.261080 0.716810 O\n0.261060 0.716833 0.261057 O\n0.716813 0.261074 0.261057 O\n0.738940 0.283166 0.738943 O\n0.283187 0.738927 0.738942 O\n0.261059 0.261080 0.261054 O\n0.738940 0.738922 0.283189 O\n",
"nsites": 14,
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"spacegroup": 227
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{
"id": "jvasp-10853",
"created_at": "2022-09-04T14:37:06.562431Z",
"updated_at": "2022-09-04T14:37:06.562468Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.949221 -0.011323 -0.026617\n2.964805 5.157838 -0.026617\n2.949609 1.702958 4.816693\nZn Fe O\n2 4 8\ndirect\n-0.000000 0.500001 0.499999 Zn\n0.500000 0.000001 0.499999 Zn\n0.128713 0.128713 0.121287 Fe\n0.500000 0.500001 -0.000001 Fe\n0.500000 0.500001 0.499999 Fe\n0.871286 0.871289 0.878711 Fe\n0.265858 0.265859 0.240026 O\n0.265859 0.265860 0.728255 O\n0.267576 0.743117 0.244653 O\n0.743116 0.267577 0.244653 O\n0.256883 0.732425 0.755345 O\n0.732424 0.256885 0.755345 O\n0.734141 0.734143 0.271743 O\n0.734141 0.734143 0.759972 O\n",
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"volume": 148.50359851292606,
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{
"id": "jvasp-34794",
"created_at": "2022-09-04T14:37:11.281514Z",
"updated_at": "2022-09-04T14:37:11.281547Z",
"structure_string": "K2 B6 H6\n1.0\n5.340908 -0.000000 3.083574\n1.780303 5.035456 3.083574\n-0.000000 0.000000 6.167149\nK B H\n2 6 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.140112 0.859888 0.140112 B\n0.140112 0.859888 0.859887 B\n0.859887 0.859888 0.140111 B\n0.859888 0.140112 0.140111 B\n0.859888 0.140112 0.859887 B\n0.140112 0.140112 0.859888 B\n0.278656 0.721344 0.721343 H\n0.278656 0.721344 0.278656 H\n0.721343 0.721344 0.278656 H\n0.721343 0.278657 0.278656 H\n0.721343 0.278657 0.721342 H\n0.278657 0.278657 0.721343 H\n",
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{
"id": "jvasp-10167",
"created_at": "2022-09-04T14:37:11.276702Z",
"updated_at": "2022-09-04T14:37:11.276726Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n3.259322 -0.019031 0.022848\n1.487240 7.372869 0.004684\n0.818789 1.433694 7.772560\nMg Ag O\n2 4 8\ndirect\n0.487693 0.198325 0.177089 Mg\n0.476917 0.834737 0.801023 Mg\n0.768672 0.558540 0.164075 Ag\n0.726589 0.202241 0.520941 Ag\n0.238011 0.830823 0.457173 Ag\n0.195935 0.474523 0.814038 Ag\n0.532397 0.633681 0.639033 O\n0.618889 0.789848 0.251093 O\n0.345723 0.243214 0.727023 O\n0.432208 0.399381 0.339081 O\n0.001141 0.702337 0.936364 O\n0.012096 0.082344 0.314573 O\n0.963462 0.330728 0.041749 O\n0.952511 0.950719 0.663540 O\n",
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"volume": 186.88774328879586,
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"formula_full": "Mg2 Ag4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 2
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{
"id": "jvasp-22742",
"created_at": "2022-09-04T14:37:30.636093Z",
"updated_at": "2022-09-04T14:37:30.636103Z",
"structure_string": "Al12 Re2\n1.0\n5.068797 0.002847 0.000000\n-0.704718 5.019570 -0.000000\n-0.000000 -0.000000 9.112579\nAl Re\n12 2\ndirect\n0.324484 0.675516 0.000000 Al\n0.675516 0.324485 0.500000 Al\n0.675516 0.324485 0.000000 Al\n0.324484 0.675516 0.500000 Al\n0.128725 0.128725 0.601480 Al\n0.871275 0.871276 0.101480 Al\n0.128725 0.128725 0.898520 Al\n0.871275 0.871276 0.398520 Al\n0.390830 0.031069 0.250000 Al\n0.609170 0.968932 0.750000 Al\n0.031069 0.390830 0.250000 Al\n0.968932 0.609171 0.750000 Al\n0.546436 0.546436 0.250000 Re\n0.453564 0.453564 0.750000 Re\n",
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{
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"created_at": "2022-09-04T14:37:11.226112Z",
"updated_at": "2022-09-04T14:37:11.226138Z",
"structure_string": "Ba2 Al1 V3 O8\n1.0\n0.000000 3.796388 0.318930\n4.083258 0.000000 0.000000\n0.000000 -0.950584 -11.408165\nBa Al V O\n2 1 3 8\ndirect\n0.439259 0.500000 0.842592 Ba\n0.614201 0.500000 0.192712 Ba\n0.286163 0.500000 0.536633 Al\n-0.166109 0.000000 0.632166 V\n0.026005 0.000000 0.016200 V\n0.197662 0.000000 0.359727 V\n-0.185376 0.500000 0.593719 O\n0.301377 0.000000 0.567086 O\n0.520667 0.000000 0.005513 O\n0.918459 0.000000 0.800961 O\n0.208993 0.500000 0.382381 O\n0.704820 0.000000 0.374044 O\n0.112030 0.000000 0.188359 O\n0.021855 0.500000 0.007905 O\n",
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{
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"created_at": "2022-09-04T14:37:11.210667Z",
"updated_at": "2022-09-04T14:37:11.210687Z",
"structure_string": "V4 Zn2 O8\n1.0\n5.967440 -0.004955 -0.004514\n-2.979546 5.170890 0.006997\n-2.981497 -1.724658 4.873306\nV Zn O\n4 2 8\ndirect\n-0.000000 -0.000000 0.500000 V\n0.500000 -0.000000 0.500001 V\n0.500000 -0.000000 0.000000 V\n-0.000000 0.500000 0.500001 V\n0.749999 0.624997 0.875003 Zn\n0.250000 0.375002 0.124999 Zn\n0.480042 0.220053 0.740031 O\n0.980056 0.240036 0.720053 O\n0.519954 0.239999 0.259987 O\n0.980049 0.240031 0.260001 O\n0.480046 0.760000 0.740015 O\n0.019951 0.759968 0.740001 O\n0.519958 0.779947 0.259972 O\n0.019944 0.759963 0.279949 O\n",
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{
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"created_at": "2022-09-04T14:37:31.392689Z",
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"structure_string": "Ca4 Si2 O8\n1.0\n2.797415 -4.845265 -0.000000\n2.797415 4.845265 0.000000\n-0.000000 -0.000000 6.787572\nCa Si O\n4 2 8\ndirect\n0.333334 0.666668 0.651184 Ca\n0.666668 0.333334 0.348815 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.195799 Si\n0.666668 0.333334 0.804201 Si\n0.333334 0.666668 0.959580 O\n0.666668 0.333334 0.040420 O\n0.177082 0.822919 0.292553 O\n0.177082 0.354164 0.292553 O\n0.645837 0.822919 0.292553 O\n0.822919 0.177082 0.707447 O\n0.822919 0.645837 0.707447 O\n0.354164 0.177082 0.707447 O\n",
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},
{
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"created_at": "2022-09-04T14:37:30.665768Z",
"updated_at": "2022-09-04T14:37:30.665787Z",
"structure_string": "Li2 V3 Cu1 O8\n1.0\n5.981058 0.132468 0.093669\n3.105250 5.113515 0.093669\n3.105251 1.792817 4.789845\nLi V Cu O\n2 3 1 8\ndirect\n0.124186 0.124186 0.124186 Li\n0.875814 0.875814 0.875813 Li\n0.000000 0.500000 0.500000 V\n0.500000 0.000001 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Cu\n0.260034 0.260033 0.260033 O\n0.250048 0.250048 0.714150 O\n0.250048 0.714150 0.250047 O\n0.714150 0.250048 0.250047 O\n0.285850 0.749953 0.749952 O\n0.749953 0.285850 0.749952 O\n0.749953 0.749952 0.285850 O\n0.739967 0.739967 0.739966 O\n",
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{
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"created_at": "2022-09-04T14:37:17.655159Z",
"updated_at": "2022-09-04T14:37:17.655181Z",
"structure_string": "Zn2 Mo4 O8\n1.0\n2.799445 -0.000000 0.000000\n-1.399723 4.856604 -0.000000\n0.000000 -0.000000 10.521826\nZn Mo O\n2 4 8\ndirect\n0.420490 0.840978 0.750000 Zn\n0.579512 0.159021 0.250000 Zn\n0.842664 0.685324 0.061418 Mo\n0.157338 0.314676 0.938582 Mo\n0.842664 0.685324 0.438582 Mo\n0.157338 0.314676 0.561418 Mo\n0.199130 0.398260 0.369832 O\n0.800872 0.601739 0.630168 O\n0.800872 0.601739 0.869832 O\n0.199130 0.398260 0.130168 O\n0.928880 0.857755 0.250000 O\n0.071122 0.142244 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
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}
]
}