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{
"id": "jvasp-112296",
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"structure_string": "Ti2 Nb6 Se12\n1.0\n6.071658 0.000000 0.000000\n-3.035829 5.258211 0.000000\n0.000000 0.000000 13.036406\nTi Nb Se\n2 6 12\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333333 0.666667 0.000242 Nb\n0.666667 0.333333 -0.000242 Nb\n0.666667 0.333333 0.500242 Nb\n0.333333 0.666667 0.499758 Nb\n0.671341 0.666605 0.129836 Se\n0.004736 0.333394 0.870165 Se\n0.328659 0.995264 0.870165 Se\n0.666605 0.671341 0.870165 Se\n0.666605 0.995264 0.629836 Se\n0.671341 0.004736 0.370164 Se\n0.328659 0.333394 0.629836 Se\n0.995264 0.666605 0.370164 Se\n0.995264 0.328659 0.129836 Se\n0.333395 0.328659 0.370164 Se\n0.004736 0.671341 0.629836 Se\n0.333395 0.004736 0.129836 Se\n",
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{
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"structure_string": "Ti1 Nb1 S4\n1.0\n3.397699 0.000000 -0.000000\n-3.397699 5.898412 0.000066\n-1.698849 2.936079 5.846948\nTi Nb S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.000000 Nb\n0.672121 0.800932 0.742376 S\n0.338449 0.712785 0.251328 S\n0.661550 0.287214 0.748673 S\n0.327879 0.199067 0.257625 S\n",
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{
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"created_at": "2022-09-04T14:37:59.221569Z",
"updated_at": "2022-09-04T14:37:59.221594Z",
"structure_string": "Ti1 Nb1 Ru2\n1.0\n0.000000 3.134402 3.134402\n3.134402 -0.000000 3.134402\n3.134402 3.134402 -0.000000\nTi Nb Ru\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Ru\n0.499999 0.499999 0.499999 Ru\n",
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{
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"created_at": "2022-09-04T14:37:46.748683Z",
"updated_at": "2022-09-04T14:37:46.748708Z",
"structure_string": "Ti1 Nb1 Re2\n1.0\n0.000000 3.168164 3.168164\n3.168164 0.000000 3.168164\n3.168164 3.168164 -0.000000\nTi Nb Re\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250001 0.250001 0.250001 Nb\n0.000000 0.000000 0.000000 Re\n0.499999 0.499999 0.499999 Re\n",
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{
"id": "jvasp-81302",
"created_at": "2022-09-04T14:37:15.825682Z",
"updated_at": "2022-09-04T14:37:15.825708Z",
"structure_string": "Ti2 Nb1 Pt1\n1.0\n-12.054116 2.241025 -3.299869\n-8.335305 0.959040 0.030877\n-7.389271 3.634831 -1.607703\nTi Nb Pt\n2 1 1\ndirect\n0.749374 0.000398 0.000396 Ti\n0.250627 -0.000397 -0.000398 Ti\n0.000000 0.000000 0.000000 Nb\n0.500001 0.000000 -0.000001 Pt\n",
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{
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"created_at": "2022-09-04T14:35:54.115940Z",
"updated_at": "2022-09-04T14:35:54.115967Z",
"structure_string": "Ti6 Nb2 O16\n1.0\n5.964895 -0.000014 -0.000003\n-2.982459 5.165771 0.000006\n0.000002 -0.000002 9.356148\nTi Nb O\n6 2 16\ndirect\n0.663125 0.831571 0.213919 Ti\n0.336876 0.168447 0.713919 Ti\n0.831553 0.168450 0.713893 Ti\n0.168435 0.831571 0.213925 Ti\n0.168449 0.336897 0.213892 Ti\n0.831566 0.663136 0.713926 Ti\n0.333330 0.666666 0.490905 Nb\n0.666671 0.333337 0.990905 Nb\n0.831160 0.662316 0.100670 O\n0.666660 0.333345 0.605364 O\n0.521016 0.042032 0.835820 O\n0.521017 0.479004 0.835836 O\n0.662321 0.831158 0.600659 O\n0.337680 0.168838 0.100658 O\n0.478984 0.521017 0.335820 O\n0.000000 0.000026 0.310389 O\n0.168839 0.337681 0.600657 O\n-0.000000 0.000026 0.810389 O\n0.957968 0.478992 0.835829 O\n0.333341 0.666685 0.105364 O\n0.042033 0.521024 0.335828 O\n0.168840 0.831156 0.600670 O\n0.478984 0.957986 0.335836 O\n0.831162 0.168843 0.100657 O\n",
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"formula_full": "Ti6 Nb2 O16",
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{
"id": "jvasp-50733",
"created_at": "2022-09-04T14:36:59.263404Z",
"updated_at": "2022-09-04T14:36:59.263424Z",
"structure_string": "Ti5 Nb1 O12\n1.0\n-4.668105 4.668105 2.997489\n0.010920 4.678158 -2.996125\n-4.678158 -0.010920 -2.996125\nTi Nb O\n5 1 12\ndirect\n0.836936 0.661313 0.661313 Ti\n0.674306 0.337811 0.337811 Ti\n0.325696 0.662189 0.662189 Ti\n0.163066 0.338687 0.338687 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Nb\n0.669796 0.631225 0.029210 O\n0.000001 0.303860 0.696139 O\n0.371238 0.433628 0.433628 O\n0.033748 0.768963 0.768963 O\n0.704954 0.102421 0.102421 O\n0.966254 0.231036 0.231036 O\n0.295048 0.897579 0.897579 O\n0.330206 0.970789 0.368775 O\n0.330206 0.368775 0.970789 O\n0.669796 0.029210 0.631225 O\n0.628764 0.566371 0.566371 O\n0.000001 0.696139 0.303860 O\n",
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{
"id": "jvasp-59036",
"created_at": "2022-09-04T14:38:30.496632Z",
"updated_at": "2022-09-04T14:38:30.496653Z",
"structure_string": "Ti2 Nb6 O12\n1.0\n6.419275 0.001303 1.921890\n1.431140 6.257710 1.921890\n0.001634 0.001303 6.700803\nTi Nb O\n2 6 12\ndirect\n0.726333 0.726332 0.726333 Ti\n0.273667 0.273667 0.273667 Ti\n0.296387 0.881390 0.055925 Nb\n0.881391 0.055925 0.296387 Nb\n0.703613 0.118609 0.944074 Nb\n0.944075 0.703613 0.118609 Nb\n0.118609 0.944074 0.703613 Nb\n0.055925 0.296387 0.881390 Nb\n0.798254 0.033781 0.647859 O\n0.966219 0.352141 0.201746 O\n0.569676 0.171119 0.260580 O\n0.647859 0.798254 0.033782 O\n0.033781 0.647858 0.798254 O\n0.739420 0.430323 0.828880 O\n0.828881 0.739420 0.430324 O\n0.430324 0.828880 0.739420 O\n0.260580 0.569676 0.171119 O\n0.171119 0.260579 0.569676 O\n0.201746 0.966218 0.352141 O\n0.352141 0.201745 0.966218 O\n",
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"structure_string": "Ti1 Nb1 O4\n1.0\n5.624494 0.225068 -0.000000\n2.663924 4.958738 -0.000000\n-4.144209 -2.591903 2.791622\nTi Nb O\n1 1 4\ndirect\n0.749999 0.250001 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n0.542911 0.042912 0.500000 O\n0.210417 0.210418 0.000000 O\n0.957086 0.457089 0.500000 O\n0.789581 0.789583 0.000000 O\n",
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{
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"structure_string": "Ti1 Nb1 N2\n1.0\n3.093187 0.000000 0.000000\n0.000000 3.093187 0.000000\n-0.000000 0.000000 4.360827\nTi Nb N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500000 Nb\n0.000000 0.000000 0.500000 N\n0.500001 0.500001 0.000000 N\n",
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"structure_string": "Ti1 Nb1 N2\n1.0\n2.938909 0.002912 4.512168\n1.342052 2.614592 4.512168\n0.004763 0.002912 5.384870\nTi Nb N\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 Nb\n0.243781 0.243780 0.243781 N\n0.756219 0.756218 0.756221 N\n",
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