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{
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{
"id": "jvasp-50511",
"created_at": "2022-09-04T14:36:44.909958Z",
"updated_at": "2022-09-04T14:36:44.909977Z",
"structure_string": "Li4 Ti6 O14\n1.0\n5.099563 2.460345 0.633098\n-5.099563 2.460345 -0.633098\n-1.382881 0.000000 10.397510\nLi Ti O\n4 6 14\ndirect\n0.532387 0.828260 0.814069 Li\n0.171742 0.467615 0.314069 Li\n0.828260 0.532387 0.685931 Li\n0.467615 0.171742 0.185931 Li\n0.000001 0.500000 -0.000000 Ti\n0.120230 0.241224 0.604790 Ti\n0.241224 0.120230 0.895210 Ti\n0.758778 0.879772 0.104790 Ti\n0.879772 0.758778 0.395210 Ti\n0.500000 0.000001 0.500000 Ti\n0.082590 0.873849 0.073252 O\n0.663713 0.401838 0.480352 O\n0.126153 0.917412 0.573252 O\n0.619675 0.619675 0.250000 O\n0.598164 0.336289 0.980352 O\n0.401838 0.663713 0.019648 O\n0.245690 0.873596 0.336900 O\n0.873849 0.082589 0.426748 O\n0.336289 0.598164 0.519648 O\n0.917413 0.126153 0.926748 O\n0.754312 0.126406 0.663100 O\n0.126406 0.754312 0.836900 O\n0.380327 0.380327 0.750000 O\n0.873596 0.245690 0.163100 O\n",
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{
"id": "jvasp-52513",
"created_at": "2022-09-04T14:38:17.360868Z",
"updated_at": "2022-09-04T14:38:17.360886Z",
"structure_string": "Li1 Ti4 O8\n1.0\n5.911543 0.005491 -0.013119\n2.890171 5.156939 -0.022695\n2.904050 1.712726 4.856009\nLi Ti O\n1 4 8\ndirect\n0.499999 0.500000 0.500001 Li\n-0.000000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.760871 0.760860 0.211085 O\n0.760860 0.211085 0.760858 O\n0.788917 0.239136 0.239127 O\n0.764842 0.764854 0.764844 O\n0.235156 0.235147 0.235157 O\n0.211082 0.760865 0.760874 O\n0.239139 0.788915 0.239143 O\n0.239128 0.239140 0.788916 O\n",
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"volume": 148.32158781529654,
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"formula_full": "Li1 Ti4 O8",
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"formula_anonymous": "AB4C8",
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{
"id": "jvasp-49976",
"created_at": "2022-09-04T14:38:11.476390Z",
"updated_at": "2022-09-04T14:38:11.476407Z",
"structure_string": "Li1 Ti3 O6\n1.0\n7.126748 1.480727 0.060727\n-7.126748 1.480727 -0.060727\n-0.191395 0.000000 4.948054\nLi Ti O\n1 3 6\ndirect\n0.779934 0.220068 0.934593 Li\n0.348988 0.651014 0.476590 Ti\n0.003759 0.996243 0.998885 Ti\n0.653899 0.346104 0.512990 Ti\n0.099037 0.900965 0.302334 O\n0.229601 0.770401 0.710521 O\n0.434964 0.565038 0.187368 O\n0.565552 0.434450 0.806032 O\n0.774055 0.225947 0.302305 O\n0.898024 0.101979 0.708077 O\n",
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"density_atomic": 0.09572515010413679,
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"formula_full": "Li1 Ti3 O6",
"formula_reduced": "LiTi3O6",
"formula_anonymous": "AB3C6",
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"spacegroup": 8
},
{
"id": "jvasp-50086",
"created_at": "2022-09-04T14:37:06.883761Z",
"updated_at": "2022-09-04T14:37:06.883795Z",
"structure_string": "Li4 Ti3 O8\n1.0\n-0.018393 4.231976 4.231976\n4.059915 0.006891 4.205796\n4.059915 4.205796 0.006891\nLi Ti O\n4 3 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.125000 0.125000 0.625001 Li\n0.125000 0.625001 0.125000 Li\n0.625000 0.625001 0.625001 Li\n0.625000 0.125000 0.625001 Ti\n0.625000 0.625001 0.125000 Ti\n0.125000 0.625001 0.625001 Ti\n0.386920 0.380214 0.380214 O\n0.843822 0.375745 0.375745 O\n0.365878 0.844672 0.382323 O\n0.884122 0.867679 0.405330 O\n0.884122 0.405330 0.867679 O\n0.365878 0.382323 0.844672 O\n0.406178 0.874257 0.874257 O\n0.863080 0.869788 0.869788 O\n",
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"formula_full": "Li4 Ti3 O8",
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{
"id": "jvasp-40490",
"created_at": "2022-09-04T14:38:11.853853Z",
"updated_at": "2022-09-04T14:38:11.853877Z",
"structure_string": "Li1 Ti3 O4\n1.0\n2.977186 0.000585 0.001007\n-0.001322 5.147411 -0.067514\n-0.000937 -1.641938 4.879015\nLi Ti O\n1 3 4\ndirect\n0.499865 -0.003497 0.503347 Li\n0.499845 0.482533 0.017263 Ti\n-0.000090 0.027565 0.004676 Ti\n-0.000102 0.495133 0.472227 Ti\n-0.000143 0.756275 0.238765 O\n0.499908 0.227495 0.272307 O\n-0.000134 0.261031 0.743525 O\n0.499882 0.752977 0.746824 O\n",
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"formula_anonymous": "AB3C4",
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"spacegroup": 38
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{
"id": "jvasp-50677",
"created_at": "2022-09-04T14:37:18.958909Z",
"updated_at": "2022-09-04T14:37:18.958928Z",
"structure_string": "Li4 Ti6 O12\n1.0\n7.791292 -1.776316 -3.673533\n1.949210 4.911603 -0.105585\n1.949210 -3.132808 3.784244\nLi Ti O\n4 6 12\ndirect\n0.007680 0.290363 0.717580 Li\n0.507679 0.967580 0.040363 Li\n0.325655 0.615747 0.042975 Li\n0.825655 0.292975 0.365748 Li\n0.166668 0.177978 0.155348 Ti\n0.995821 0.735953 0.267527 Ti\n0.337511 0.065805 0.597383 Ti\n0.495821 0.517526 0.485954 Ti\n0.666668 0.405347 0.927978 Ti\n0.837511 0.847381 0.815805 Ti\n0.838563 0.078881 0.599844 O\n0.494769 0.733484 0.254453 O\n0.338564 0.849842 0.828881 O\n0.666666 0.184705 0.148628 O\n0.494536 0.282087 0.736785 O\n0.994769 0.504452 0.483485 O\n0.338797 0.301242 0.346548 O\n0.166667 0.398627 0.934705 O\n0.994536 -0.013215 0.032088 O\n0.666667 0.643036 0.690297 O\n0.166667 0.940296 0.393037 O\n0.838797 0.596548 0.051243 O\n",
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"formula_full": "Li4 Ti6 O12",
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{
"id": "jvasp-50533",
"created_at": "2022-09-04T14:37:14.671286Z",
"updated_at": "2022-09-04T14:37:14.671310Z",
"structure_string": "Li5 Ti3 O8\n1.0\n0.012230 4.157090 4.157090\n4.157090 0.012230 4.157090\n4.157090 4.157090 0.012230\nLi Ti O\n5 3 8\ndirect\n0.625000 0.125000 0.125000 Li\n0.125000 0.125000 0.125000 Li\n0.125000 0.125000 0.625000 Li\n0.125000 0.625000 0.125000 Li\n0.625000 0.625000 0.625000 Li\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.125000 0.625000 0.625000 Ti\n0.379362 0.379362 0.379362 O\n0.852822 0.375432 0.375432 O\n0.375432 0.852822 0.375432 O\n0.874568 0.874568 0.397178 O\n0.874568 0.397178 0.874568 O\n0.375432 0.375432 0.852822 O\n0.397178 0.874568 0.874568 O\n0.870638 0.870638 0.870638 O\n",
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},
{
"id": "jvasp-10489",
"created_at": "2022-09-04T14:37:11.921185Z",
"updated_at": "2022-09-04T14:37:11.921218Z",
"structure_string": "Li8 Ti2 O8\n1.0\n5.408934 -0.022406 -0.000000\n-0.359590 5.397015 0.000000\n0.000000 0.000000 6.152035\nLi Ti O\n8 2 8\ndirect\n0.159029 0.840970 0.000000 Li\n0.840970 0.159029 0.500000 Li\n0.840970 0.159029 0.000000 Li\n0.159029 0.840970 0.500000 Li\n0.586255 0.877726 0.250000 Li\n0.413745 0.122273 0.750001 Li\n0.877726 0.586254 0.250000 Li\n0.122273 0.413745 0.750001 Li\n0.658373 0.658372 0.750001 Ti\n0.341627 0.341626 0.250000 Ti\n0.728769 0.330191 0.750001 O\n0.203048 0.203048 0.000489 O\n0.796951 0.796950 0.500490 O\n0.203048 0.203048 0.499511 O\n0.796951 0.796950 -0.000489 O\n0.669807 0.271229 0.250000 O\n0.330192 0.728769 0.750001 O\n0.271230 0.669807 0.250000 O\n",
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"formula_full": "Li8 Ti2 O8",
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{
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"created_at": "2022-09-04T14:37:10.491105Z",
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"structure_string": "Li4 Ti3 O8\n1.0\n2.923088 -5.093325 0.000000\n2.915919 5.058913 -0.024280\n0.000000 -3.385451 4.798451\nLi Ti O\n4 3 8\ndirect\n0.125001 0.875000 0.625000 Li\n0.125001 0.875000 0.125000 Li\n0.625001 0.875000 0.625000 Li\n0.625001 0.875000 0.125000 Li\n0.125000 0.375000 0.625000 Ti\n0.625001 0.375000 0.625000 Ti\n0.625001 0.375000 0.125000 Ti\n0.378608 0.135822 0.378608 O\n0.409445 0.149206 0.869880 O\n0.380120 0.600794 0.840555 O\n0.380120 0.600794 0.380119 O\n0.869881 0.149206 0.869880 O\n0.869881 0.149206 0.409445 O\n0.840556 0.600794 0.380119 O\n0.871393 0.614178 0.871392 O\n",
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{
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"created_at": "2022-09-04T14:38:06.378863Z",
"updated_at": "2022-09-04T14:38:06.378881Z",
"structure_string": "Li2 Ti2 O4\n1.0\n2.896423 -0.000028 0.000048\n-1.448235 2.508417 -0.000096\n-0.000034 0.000060 10.134218\nLi Ti O\n2 2 4\ndirect\n0.333234 0.666720 0.240230 Li\n0.666765 0.333485 0.740230 Li\n0.333403 0.666648 0.499761 Ti\n0.666597 0.333244 0.999762 Ti\n0.333277 0.666590 0.881990 O\n0.999923 0.999915 0.119078 O\n0.000075 0.999990 0.619078 O\n0.666722 0.333312 0.381990 O\n",
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"formula_full": "Li2 Ti2 O4",
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},
{
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"created_at": "2022-09-04T14:36:55.861734Z",
"updated_at": "2022-09-04T14:36:55.861751Z",
"structure_string": "Li1 Ti1 O2\n1.0\n2.790038 0.000999 4.681173\n1.289971 2.473921 4.681175\n0.001648 0.000999 5.449560\nLi Ti O\n1 1 2\ndirect\n0.827935 0.827934 0.827932 Li\n0.001316 0.001316 0.001316 Ti\n0.591658 0.591658 0.591656 O\n0.412427 0.412427 0.412426 O\n",
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"formula_full": "Li1 Ti1 O2",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-13340",
"created_at": "2022-09-04T14:36:55.243352Z",
"updated_at": "2022-09-04T14:36:55.243368Z",
"structure_string": "Li4 Ti2 O6\n1.0\n5.727314 0.052596 0.037191\n4.362382 7.715578 0.179744\n2.908255 3.485634 2.464715\nLi Ti O\n4 2 6\ndirect\n-0.000000 0.005652 0.991521 Li\n-0.000000 0.653447 0.019830 Li\n0.499999 0.327682 0.008477 Li\n0.499999 0.679890 0.980165 Li\n-0.000000 0.345682 0.981475 Ti\n0.499999 0.987654 0.018520 Ti\n0.261272 0.017546 0.437021 O\n0.238728 0.315788 0.562976 O\n0.738727 0.017546 0.510340 O\n0.250000 0.666668 0.499998 O\n0.761271 0.315789 0.489657 O\n0.749999 0.666668 0.499998 O\n",
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"formula_full": "Li4 Ti2 O6",
"formula_reduced": "Li2TiO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 15
}
]
}