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{
"id": "jvasp-3660",
"created_at": "2022-09-04T14:36:19.268756Z",
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"structure_string": "Cu2 Hg1 I4\n1.0\n6.084640 -0.008737 -0.332729\n-0.008737 6.084640 -0.332729\n-2.697680 -2.697680 6.544254\nCu Hg I\n2 1 4\ndirect\n0.250006 0.749957 0.500019 Cu\n0.749957 0.250006 0.500019 Cu\n0.500089 0.500089 0.000044 Hg\n0.094727 0.645175 0.739950 I\n0.354775 0.354775 0.259966 I\n0.645175 0.094727 0.739950 I\n0.905267 0.905267 0.260047 I\n",
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"structure_string": "K2 Yb6 F20\n1.0\n6.894882 -0.003323 3.980311\n2.257969 6.642314 4.046240\n-0.082992 0.022807 8.099068\nYb K F\n6 2 20\ndirect\n0.770058 0.773711 0.231217 Yb\n0.770049 0.231093 0.773793 Yb\n0.768465 0.226302 0.226297 Yb\n0.229937 0.226291 0.768778 Yb\n0.231530 0.773707 0.773701 Yb\n0.229950 0.768902 0.226213 Yb\n0.770329 0.735794 0.735875 K\n0.229670 0.264207 0.264126 K\n0.812741 0.163624 0.512577 F\n0.493057 0.493335 0.131616 F\n0.499915 0.681175 0.318960 F\n0.812781 0.512356 0.163998 F\n0.869249 0.500752 0.500824 F\n0.641126 0.109351 0.109452 F\n0.107757 0.667712 0.107829 F\n0.500076 0.318828 0.681047 F\n0.871485 0.885699 0.885800 F\n0.128517 0.114303 0.114199 F\n0.507158 0.868212 0.506897 F\n0.892268 0.892178 0.332303 F\n0.107733 0.107821 0.667700 F\n0.358879 0.890650 0.890542 F\n0.506949 0.506663 0.868382 F\n0.130750 0.499249 0.499179 F\n0.187223 0.487635 0.836006 F\n0.187262 0.836382 0.487416 F\n0.892243 0.332289 0.892169 F\n0.492843 0.131786 0.493104 F\n",
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{
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"updated_at": "2022-09-04T14:36:55.159440Z",
"structure_string": "Cd4 Te5 Pb1\n1.0\n6.486898 0.022425 -11.066390\n-0.194509 4.620028 -11.965068\n-0.041098 -0.022425 12.827437\nCd Te Pb\n4 5 1\ndirect\n0.394701 0.393645 0.001056 Cd\n0.785136 0.793388 0.991749 Cd\n0.198361 0.206614 0.991749 Cd\n0.607412 0.606355 0.001056 Cd\n0.632748 0.889000 0.743748 Te\n0.038470 0.300773 0.737699 Te\n0.436927 0.699229 0.737699 Te\n0.854748 0.111000 0.743748 Te\n0.303755 0.500001 0.803756 Te\n0.997742 0.000000 0.997742 Pb\n",
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{
"id": "jvasp-39287",
"created_at": "2022-09-04T14:35:54.937400Z",
"updated_at": "2022-09-04T14:35:54.937426Z",
"structure_string": "K3 Sn1\n1.0\n0.000000 4.351332 4.351332\n4.351332 0.000000 4.351332\n4.351332 4.351332 0.000000\nK Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 K\n0.749999 0.749999 0.749999 Sn\n",
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{
"id": "jvasp-107398",
"created_at": "2022-09-04T14:36:54.955737Z",
"updated_at": "2022-09-04T14:36:54.955746Z",
"structure_string": "Na2 Y1 Ag1 F6\n1.0\n5.529546 -0.000000 3.192485\n1.843182 5.213306 3.192485\n-0.000000 -0.000000 6.384970\nNa Y Ag F\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Ag\n0.762113 0.237887 0.237886 F\n0.237887 0.237887 0.762112 F\n0.237887 0.762113 0.762112 F\n0.237887 0.762113 0.237886 F\n0.762113 0.237887 0.762112 F\n0.762113 0.762113 0.237886 F\n",
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{
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"created_at": "2022-09-04T14:36:58.097488Z",
"updated_at": "2022-09-04T14:36:58.097500Z",
"structure_string": "Rb12 Br8 O2\n1.0\n9.264329 0.045283 0.218368\n0.214346 9.261959 0.218368\n0.046117 0.045283 9.266787\nRb Br O\n12 8 2\ndirect\n0.220468 0.560708 0.429726 Rb\n0.720468 0.929726 0.060708 Rb\n0.060708 0.720467 0.929726 Rb\n0.439293 0.570274 0.779533 Rb\n0.570275 0.779533 0.439293 Rb\n0.779533 0.439292 0.570275 Rb\n0.929726 0.060707 0.720468 Rb\n0.070275 0.939292 0.279533 Rb\n0.939293 0.279533 0.070274 Rb\n0.560708 0.429726 0.220467 Rb\n0.429726 0.220467 0.560708 Rb\n0.279533 0.070274 0.939293 Rb\n0.878571 0.621429 0.250000 Br\n0.250001 0.878570 0.621430 Br\n0.621430 0.250000 0.878571 Br\n0.121430 0.378570 0.750000 Br\n0.750000 0.121429 0.378571 Br\n0.378571 0.750000 0.121430 Br\n0.250000 0.250000 0.250000 Br\n0.750001 0.750000 0.750001 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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},
{
"id": "jvasp-107999",
"created_at": "2022-09-04T14:35:42.037321Z",
"updated_at": "2022-09-04T14:35:42.037347Z",
"structure_string": "Yb2 Ag1 Sb1\n1.0\n4.541945 -0.000000 2.622293\n1.513982 4.282187 2.622293\n-0.000000 -0.000000 5.244586\nYb Ag Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Sb\n",
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},
{
"id": "jvasp-87038",
"created_at": "2022-09-04T14:36:17.924268Z",
"updated_at": "2022-09-04T14:36:17.924292Z",
"structure_string": "Ba2 Zr2 F12\n1.0\n5.430218 0.000000 0.000000\n-0.000000 6.450863 -2.684855\n0.000000 -0.090230 6.986698\nBa Zr F\n2 2 12\ndirect\n0.432840 0.750000 0.250000 Ba\n0.567160 0.250000 0.750000 Ba\n0.000000 0.750000 0.750001 Zr\n0.000000 0.250000 0.250000 Zr\n0.752896 0.435315 0.180011 F\n0.752896 0.064684 0.319989 F\n0.247104 0.180011 0.435316 F\n0.247104 0.319989 0.064685 F\n0.834170 0.437481 0.562519 F\n0.834170 0.062519 0.937481 F\n0.165831 0.562519 0.437482 F\n0.165831 0.937481 0.062519 F\n0.752896 0.680010 0.935316 F\n0.752896 0.819989 0.564685 F\n0.247104 0.935315 0.680011 F\n0.247104 0.564684 0.819990 F\n",
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{
"id": "jvasp-105667",
"created_at": "2022-09-04T14:35:41.330637Z",
"updated_at": "2022-09-04T14:35:41.330656Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n",
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"density_atomic": 0.028906965206048317,
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{
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"created_at": "2022-09-04T14:35:44.842419Z",
"updated_at": "2022-09-04T14:35:44.842451Z",
"structure_string": "Ba8 Br12 O2\n1.0\n10.412649 0.000000 0.000000\n-5.206325 9.017619 -0.000000\n0.000000 -0.000000 7.902812\nBa Br O\n8 12 2\ndirect\n0.198366 0.801634 -0.000917 Ba\n0.333333 0.666667 0.420931 Ba\n0.603268 0.801634 -0.000917 Ba\n0.801634 0.198366 0.499083 Ba\n0.396732 0.198366 0.499083 Ba\n0.801634 0.603268 0.499083 Ba\n0.666667 0.333333 0.920930 Ba\n0.198366 0.396732 -0.000917 Ba\n0.940378 0.470189 0.207818 Br\n0.470189 0.529811 0.707818 Br\n0.529811 0.059622 0.207818 Br\n0.141650 0.858349 0.394846 Br\n0.470189 0.940378 0.707818 Br\n0.059621 0.529811 0.707818 Br\n0.141650 0.283301 0.394846 Br\n0.858349 0.716699 0.894846 Br\n0.283301 0.141651 0.894846 Br\n0.529811 0.470189 0.207818 Br\n0.716699 0.858349 0.394846 Br\n0.858349 0.141651 0.894846 Br\n0.333333 0.666667 0.099395 O\n0.666667 0.333333 0.599395 O\n",
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},
{
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"structure_string": "Mg6 Cu1 Bi1\n1.0\n6.622463 -0.233640 0.000000\n-3.513571 5.618402 0.000000\n0.000000 0.000000 4.951359\nMg Cu Bi\n6 1 1\ndirect\n0.168855 0.815810 0.250000 Mg\n0.684189 0.331145 0.250000 Mg\n0.672596 0.827404 0.250000 Mg\n0.334250 0.641557 0.750000 Mg\n0.858442 0.165750 0.750000 Mg\n0.830749 0.669250 0.750000 Mg\n0.110428 0.389572 0.250000 Cu\n0.340488 0.159511 0.750000 Bi\n",
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],
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},
{
"id": "jvasp-25605",
"created_at": "2022-09-04T14:37:42.533691Z",
"updated_at": "2022-09-04T14:37:42.533718Z",
"structure_string": "K6 Ca6 Al12 F54\n1.0\n7.146807 0.020792 0.000000\n-3.535986 6.210804 -0.000000\n-0.000000 0.000000 22.630399\nK Ca Al F\n6 6 12 54\ndirect\n0.009533 0.990465 0.000000 K\n0.961544 0.007003 0.833538 K\n0.990466 0.009534 0.500000 K\n0.007002 0.961543 0.666462 K\n0.992997 0.038456 0.166462 K\n0.038455 0.992996 0.333538 K\n0.498848 0.011784 0.083098 Ca\n0.011784 0.498847 0.416902 Ca\n0.483106 0.483106 0.750000 Ca\n0.988215 0.501152 0.916902 Ca\n0.516894 0.516893 0.250000 Ca\n0.501152 0.988215 0.583098 Ca\n0.516206 0.997383 0.413503 Al\n0.504558 0.487325 0.580048 Al\n0.512674 0.495441 0.419952 Al\n0.487325 0.504558 0.919952 Al\n0.019421 0.522053 0.246815 Al\n0.477946 0.980578 0.753185 Al\n0.997384 0.516206 0.086497 Al\n0.495441 0.512674 0.080048 Al\n0.483794 0.002616 0.913503 Al\n0.980578 0.477946 0.746815 Al\n0.522053 0.019421 0.253185 Al\n0.002616 0.483793 0.586497 Al\n0.452057 0.012133 0.333579 F\n0.325352 0.112636 0.770981 F\n0.987867 0.547942 0.666421 F\n0.965554 0.401191 0.823433 F\n0.132110 0.796861 0.105911 F\n0.291437 0.751355 0.237750 F\n0.034446 0.598808 0.323433 F\n0.550555 0.262710 0.433867 F\n0.874003 0.232771 0.070792 F\n0.774928 0.671487 0.913607 F\n0.708562 0.248644 0.737750 F\n0.023572 0.416305 0.510802 F\n0.583694 0.976427 0.489198 F\n0.671487 0.774928 0.586393 F\n0.357150 0.140893 0.238491 F\n0.328513 0.225071 0.086393 F\n0.859107 0.642850 0.761509 F\n0.449444 0.737289 0.933867 F\n0.335112 0.200771 0.570732 F\n0.112636 0.325352 0.729019 F\n0.140893 0.357149 0.261509 F\n0.203137 0.867888 0.894089 F\n0.416305 0.023572 0.989198 F\n0.664888 0.799228 0.070732 F\n0.767229 0.125997 0.929208 F\n0.474675 0.725612 0.400572 F\n0.274387 0.525324 0.599428 F\n0.737289 0.449444 0.566133 F\n0.449748 0.534407 0.843236 F\n0.225071 0.328512 0.413607 F\n0.799229 0.664888 0.429268 F\n0.534407 0.449747 0.656764 F\n0.248644 0.708562 0.762250 F\n0.401190 0.965553 0.676567 F\n0.477368 0.522631 0.500000 F\n0.887363 0.674647 0.229019 F\n0.465592 0.550252 0.156764 F\n0.200771 0.335112 0.929268 F\n0.796862 0.132111 0.394089 F\n0.867889 0.203138 0.605911 F\n0.550252 0.465592 0.343236 F\n0.642850 0.859106 0.738491 F\n0.547942 0.987866 0.833579 F\n0.012133 0.452057 0.166421 F\n0.725612 0.474675 0.099428 F\n0.598809 0.034446 0.176567 F\n0.232770 0.874002 0.429208 F\n0.522632 0.477368 0.000000 F\n0.525324 0.274387 0.900572 F\n0.674648 0.887363 0.270981 F\n0.125997 0.767228 0.570792 F\n0.976427 0.583694 0.010802 F\n0.751355 0.291437 0.262250 F\n0.262710 0.550555 0.066133 F\n",
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}
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}