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{
"id": "jvasp-34737",
"created_at": "2022-09-04T14:37:14.065660Z",
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"structure_string": "N6 O12\n1.0\n6.988493 0.000000 -2.470806\n-3.494247 6.052214 -2.470806\n0.000000 0.000000 7.412416\nN O\n6 12\ndirect\n0.499999 0.893083 0.393082 N\n0.393083 0.500000 0.893083 N\n0.500000 0.106917 0.606917 N\n0.893082 0.393083 0.499999 N\n0.606916 0.500000 0.106916 N\n0.106916 0.606916 0.500000 N\n0.209048 0.370254 0.838795 O\n0.161205 0.531459 0.370254 O\n0.161204 0.790951 0.629745 O\n0.629744 0.838794 0.468539 O\n0.370254 0.161205 0.531460 O\n0.370254 0.838794 0.209048 O\n0.468540 0.629745 0.838794 O\n0.838794 0.468540 0.629745 O\n0.790950 0.629745 0.161204 O\n0.531459 0.370254 0.161204 O\n0.629745 0.161205 0.790951 O\n0.838794 0.209049 0.370254 O\n",
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{
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"structure_string": "Sr4 Ta4 N4 O8\n1.0\n3.997777 4.114729 0.000190\n-3.997777 4.114729 -0.000190\n0.000439 0.000000 8.072289\nSr Ta N O\n4 4 4 8\ndirect\n-0.003479 -0.003479 0.250000 Sr\n0.506257 0.506257 0.250000 Sr\n0.507750 0.507749 0.750000 Sr\n0.995601 0.995601 0.750000 Sr\n-0.001331 0.491746 0.508931 Ta\n0.015203 0.510468 0.997780 Ta\n0.491747 -0.001331 0.991069 Ta\n0.510468 0.015202 0.502220 Ta\n0.748836 0.249471 0.495277 N\n0.459614 0.036523 0.750058 N\n0.036523 0.459614 0.749943 N\n0.249471 0.748836 0.004723 N\n0.247422 0.746789 0.490394 O\n0.540975 0.953812 0.250756 O\n0.248326 0.248200 0.049030 O\n0.748961 0.748855 0.534675 O\n0.248200 0.248326 0.450970 O\n0.748855 0.748961 0.965325 O\n0.953812 0.540975 0.249244 O\n0.746789 0.247422 0.009606 O\n",
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{
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"created_at": "2022-09-04T14:38:27.805732Z",
"updated_at": "2022-09-04T14:38:27.805760Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.008493 4.094948 0.011412\n-4.008493 4.094948 0.011412\n0.000000 0.022759 8.109832\nSr Ta N O\n4 4 4 8\ndirect\n0.992201 0.007016 0.247721 Sr\n0.492988 0.507800 0.252281 Sr\n0.492201 0.507013 0.747718 Sr\n0.992985 0.007800 0.752278 Sr\n0.987267 0.495954 0.492127 Ta\n0.004048 0.512733 0.007869 Ta\n0.487268 0.995953 0.992131 Ta\n0.504046 0.012734 0.507872 Ta\n0.735483 0.264518 0.500000 N\n0.967012 0.532991 0.249998 N\n0.467010 0.032989 0.750001 N\n0.235482 0.764519 -0.000000 N\n0.274765 0.725236 0.500000 O\n0.541829 0.958174 0.249999 O\n0.041826 0.458171 0.750000 O\n0.269846 0.265435 0.037236 O\n0.769841 0.765433 0.537233 O\n0.234567 0.230160 0.462766 O\n0.734566 0.730155 0.962764 O\n0.774772 0.225228 -0.000000 O\n",
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"formula_full": "Sr4 Ta4 N4 O8",
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{
"id": "jvasp-119357",
"created_at": "2022-09-04T14:38:50.674880Z",
"updated_at": "2022-09-04T14:38:50.674903Z",
"structure_string": "Li2 Mn3 Te1 O8\n1.0\n5.213517 0.123511 3.392153\n1.902529 4.856089 3.391838\n0.175944 0.123868 6.216235\nLi Mn Te O\n2 3 1 8\ndirect\n0.118297 0.118278 0.118328 Li\n0.881702 0.881723 0.881671 Li\n-0.000001 0.500001 0.499999 Mn\n0.500000 -0.000000 0.499999 Mn\n0.500002 0.499999 -0.000002 Mn\n0.500001 0.500001 0.500000 Te\n0.267923 0.267933 0.267926 O\n0.247902 0.247909 0.716833 O\n0.247862 0.716806 0.247869 O\n0.716810 0.247855 0.247872 O\n0.283189 0.752146 0.752128 O\n0.752137 0.283196 0.752130 O\n0.752098 0.752091 0.283167 O\n0.732075 0.732067 0.732074 O\n",
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{
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"updated_at": "2022-09-04T14:38:17.356115Z",
"structure_string": "Ta2 Sb4\n1.0\n3.596260 0.000000 0.908874\n1.637275 5.147930 1.090917\n0.013096 0.000309 7.517511\nTa Sb\n2 4\ndirect\n0.849228 0.613142 0.688400 Ta\n0.150771 0.386858 0.311600 Ta\n0.148403 0.738661 0.964531 Sb\n0.851596 0.261339 0.035469 Sb\n0.405765 0.801060 0.387408 Sb\n0.594235 0.198940 0.612592 Sb\n",
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{
"id": "jvasp-54509",
"created_at": "2022-09-04T14:37:54.527294Z",
"updated_at": "2022-09-04T14:37:54.527312Z",
"structure_string": "Mn8 B8\n1.0\n6.675964 -0.000000 -0.000000\n0.000000 6.675964 -0.000000\n-0.000000 0.000000 3.957619\nMn B\n8 8\ndirect\n0.131326 0.368673 0.131248 Mn\n0.368673 0.131326 0.368752 Mn\n0.131326 0.631326 0.631249 Mn\n0.631326 0.131326 0.868752 Mn\n0.868673 0.631326 0.131248 Mn\n0.368673 0.868673 0.868752 Mn\n0.868673 0.368673 0.631249 Mn\n0.631326 0.868673 0.368752 Mn\n0.322985 0.822985 0.371991 B\n0.822985 0.322985 0.128009 B\n0.177015 0.677014 0.128009 B\n0.822985 0.677014 0.628009 B\n0.677014 0.822985 0.871992 B\n0.322985 0.177015 0.871992 B\n0.177015 0.322985 0.628009 B\n0.677014 0.177015 0.371991 B\n",
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{
"id": "jvasp-42253",
"created_at": "2022-09-04T14:36:07.733604Z",
"updated_at": "2022-09-04T14:36:07.733619Z",
"structure_string": "Li4 V6 Te2 O16\n1.0\n2.929507 -5.074054 -0.000000\n2.929507 5.074054 -0.000000\n-0.000000 -0.000000 10.205234\nLi V Te O\n4 6 2 16\ndirect\n0.666667 0.333334 0.898842 Li\n0.000000 0.000000 0.990321 Li\n0.000000 0.000000 0.490321 Li\n0.333334 0.666667 0.398842 Li\n0.176856 0.353714 0.719171 V\n0.646288 0.823143 0.719171 V\n0.176858 0.823144 0.719171 V\n0.823143 0.646288 0.219171 V\n0.823144 0.176858 0.219171 V\n0.353714 0.176856 0.219171 V\n0.666667 0.333334 0.505400 Te\n0.333334 0.666667 0.005400 Te\n0.681807 0.840905 0.102140 O\n0.159100 0.318195 0.102140 O\n0.333334 0.666667 0.602296 O\n0.490373 0.980749 0.828876 O\n0.490377 0.509628 0.828876 O\n0.318195 0.159100 0.602140 O\n0.509628 0.490377 0.328876 O\n0.980749 0.490373 0.328876 O\n0.840905 0.681807 0.602140 O\n0.000000 0.000000 0.806452 O\n0.000000 0.000000 0.306452 O\n0.666667 0.333334 0.102296 O\n0.019252 0.509624 0.828876 O\n0.840901 0.159097 0.602140 O\n0.509624 0.019252 0.328876 O\n0.159097 0.840901 0.102140 O\n",
"nsites": 28,
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],
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"formula_full": "Li4 V6 Te2 O16",
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{
"id": "jvasp-43661",
"created_at": "2022-09-04T14:36:58.357681Z",
"updated_at": "2022-09-04T14:36:58.357700Z",
"structure_string": "Li4 Mn3 Co3 Sn2 O16\n1.0\n5.764210 -0.025613 0.025828\n-2.849158 5.010921 0.020642\n-0.041841 -0.065057 9.572744\nLi Mn Co Sn O\n4 3 3 2 16\ndirect\n0.332942 0.667036 0.101723 Li\n0.998224 0.001831 0.003954 Li\n0.998403 0.001623 0.506023 Li\n0.666409 0.333621 0.607494 Li\n0.169438 0.830616 0.784886 Mn\n0.830956 0.661449 0.284559 Mn\n0.338525 0.169013 0.284549 Mn\n0.168577 0.338957 0.785041 Co\n0.829962 0.170023 0.284629 Co\n0.661108 0.831480 0.785043 Co\n0.336452 0.663569 0.509718 Sn\n0.668600 0.331438 0.004713 Sn\n0.844778 0.155288 0.897091 O\n0.845311 0.687110 0.896904 O\n0.665632 0.334351 0.390014 O\n0.513145 0.031506 0.167273 O\n0.968483 0.486840 0.167278 O\n0.158761 0.841226 0.397228 O\n0.029699 0.515922 0.667798 O\n0.484432 0.515629 0.670590 O\n0.159404 0.312234 0.396693 O\n-0.000969 0.000922 0.190232 O\n0.000068 0.000002 0.691483 O\n0.332466 0.667604 0.888864 O\n0.514640 0.485317 0.166978 O\n0.687775 0.840594 0.396698 O\n0.484138 0.970343 0.667802 O\n0.312935 0.154752 0.896900 O\n",
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{
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"structure_string": "Be1 Nb1 Rh1\n1.0\n-1.438711 1.438711 4.860851\n1.438711 -1.438711 4.860851\n1.438711 1.438711 -4.860851\nBe Nb Rh\n1 1 1\ndirect\n0.022918 0.022918 0.000000 Be\n0.338215 0.338215 0.000000 Nb\n0.638866 0.638866 0.000000 Rh\n",
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{
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"structure_string": "C2 O4\n1.0\n-3.927640 -0.000000 0.000000\n0.000000 3.927640 0.000000\n1.963820 -1.963820 -2.995734\nC O\n2 4\ndirect\n0.750000 0.250000 0.499999 C\n0.000000 0.000000 0.000000 C\n0.875000 0.957384 0.250000 O\n0.375000 0.292616 0.250000 O\n0.707384 0.124999 0.749999 O\n0.042615 0.624999 0.749999 O\n",
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{
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{
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}