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"results": [
{
"id": "jvasp-97366",
"created_at": "2022-09-04T14:35:53.025500Z",
"updated_at": "2022-09-04T14:35:53.025530Z",
"structure_string": "K4 Tl4 Br16\n1.0\n7.972900 -0.000000 0.000000\n0.000000 10.268482 0.000000\n0.000000 0.000000 10.444753\nK Tl Br\n4 4 16\ndirect\n0.177332 0.250000 0.750000 K\n0.322668 0.750000 0.750000 K\n0.822668 0.750000 0.250000 K\n0.677333 0.250000 0.250000 K\n0.750000 0.000000 0.825567 Tl\n0.750000 0.500000 0.674433 Tl\n0.250000 0.500000 0.325567 Tl\n0.250000 0.000000 0.174433 Tl\n0.639355 0.801551 0.961116 Br\n0.639355 0.698449 0.538884 Br\n0.860645 0.301551 0.538884 Br\n0.139355 0.698449 0.461116 Br\n0.989795 0.045944 0.325125 Br\n0.989795 0.454056 0.174874 Br\n0.510205 0.545944 0.174874 Br\n0.510205 0.954056 0.325125 Br\n0.010205 0.954056 0.674874 Br\n0.010205 0.545944 0.825125 Br\n0.489795 0.454056 0.825125 Br\n0.489795 0.045944 0.674874 Br\n0.360645 0.301551 0.461116 Br\n0.360645 0.198449 0.038884 Br\n0.139355 0.801551 0.038884 Br\n0.860645 0.198449 0.961116 Br\n",
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{
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"structure_string": "K6 Sn10 Cl6 F20\n1.0\n4.341867 -0.000000 -0.000000\n-2.170933 9.509442 0.000000\n-0.000000 -0.000000 20.755025\nK Sn Cl F\n6 10 6 20\ndirect\n0.000000 0.000000 0.000000 K\n0.441202 0.882404 0.163681 K\n0.441202 0.882404 0.336320 K\n0.558799 0.117596 0.663681 K\n0.558799 0.117596 0.836320 K\n0.000000 0.000000 0.500000 K\n0.672614 0.345227 0.501123 Sn\n0.870882 0.741763 0.648971 Sn\n0.327387 0.654773 0.001123 Sn\n0.129119 0.258237 0.351029 Sn\n0.672614 0.345227 -0.001123 Sn\n0.129119 0.258237 0.148971 Sn\n0.870882 0.741763 0.851029 Sn\n0.205008 0.410015 0.750000 Sn\n0.794993 0.589984 0.250000 Sn\n0.327387 0.654773 0.498877 Sn\n0.185809 0.371618 0.613144 Cl\n0.814192 0.628382 0.113144 Cl\n0.814192 0.628382 0.386856 Cl\n0.419400 0.838800 0.750000 Cl\n0.185809 0.371618 0.886856 Cl\n0.580601 0.161200 0.250000 Cl\n0.142375 0.284750 0.463269 F\n0.376614 0.753226 0.899436 F\n0.429112 0.858222 0.035635 F\n0.857626 0.715250 0.536731 F\n0.623387 0.246774 0.399436 F\n0.429112 0.858222 0.464365 F\n0.326828 0.653654 0.250000 F\n0.623387 0.246774 0.100564 F\n0.570889 0.141778 0.535636 F\n0.673174 0.346346 0.750000 F\n0.977083 0.954162 0.871488 F\n0.022919 0.045838 0.371488 F\n0.857626 0.715250 0.963269 F\n0.094128 0.188256 0.750000 F\n0.376614 0.753226 0.600564 F\n0.022919 0.045838 0.128512 F\n0.142375 0.284750 0.036731 F\n0.905873 0.811744 0.250000 F\n0.977083 0.954162 0.628513 F\n0.570889 0.141778 0.964365 F\n",
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{
"id": "jvasp-88784",
"created_at": "2022-09-04T14:36:07.474589Z",
"updated_at": "2022-09-04T14:36:07.474614Z",
"structure_string": "Ho4 Al12 Pb8 O32\n1.0\n9.499636 0.000000 -0.000000\n-0.000000 9.499636 0.000000\n0.000000 0.000000 9.499636\nHo Al Pb O\n4 12 8 32\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.750000 0.500000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.750000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.250000 0.000000 0.750000 Al\n0.750000 0.250000 0.000000 Al\n0.250000 0.750000 0.000000 Al\n0.750000 0.000000 0.250000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.250000 0.750000 Al\n0.000000 0.250000 0.750000 Al\n0.384581 0.384581 0.384581 Pb\n0.615419 0.615419 0.615419 Pb\n0.115419 0.384581 0.115419 Pb\n0.384581 0.115419 0.115419 Pb\n0.115419 0.115419 0.384581 Pb\n0.615419 0.884581 0.884581 Pb\n0.884581 0.884581 0.615419 Pb\n0.884581 0.615419 0.884581 Pb\n0.136861 0.136861 0.136861 O\n0.636861 0.863140 0.636861 O\n0.863140 0.636861 0.636861 O\n0.636861 0.636861 0.863140 O\n0.765001 0.409862 0.409862 O\n0.363140 0.136861 0.363140 O\n0.765001 0.090138 0.090138 O\n0.409862 0.409862 0.765001 O\n0.090138 0.409862 0.735000 O\n0.409862 0.765001 0.409862 O\n0.090138 0.735000 0.409862 O\n0.265001 0.909862 0.590138 O\n0.265001 0.590138 0.909862 O\n0.234999 0.909862 0.909862 O\n0.590138 0.909862 0.265001 O\n0.909862 0.234999 0.909862 O\n0.909862 0.265001 0.590138 O\n0.363140 0.363140 0.136861 O\n0.909862 0.590138 0.265001 O\n0.909862 0.909862 0.234999 O\n0.590138 0.590138 0.234999 O\n0.590138 0.234999 0.590138 O\n0.090138 0.765001 0.090138 O\n0.409862 0.735000 0.090138 O\n0.409862 0.090138 0.735000 O\n0.090138 0.090138 0.765001 O\n0.735000 0.090138 0.409862 O\n0.735000 0.409862 0.090138 O\n0.234999 0.590138 0.590138 O\n0.863140 0.863140 0.863140 O\n0.590138 0.265001 0.909862 O\n0.136861 0.363140 0.363140 O\n",
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"formula_full": "Ho4 Al12 Pb8 O32",
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{
"id": "jvasp-77471",
"created_at": "2022-09-04T14:38:10.127882Z",
"updated_at": "2022-09-04T14:38:10.127910Z",
"structure_string": "Ga1 Sn1 Ru2\n1.0\n-8.586081 0.000000 -4.957176\n-9.083524 0.010182 5.818774\n-5.894668 9.029629 0.295513\nGa Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 -0.000000 0.000000 Sn\n0.754036 -0.000000 0.000000 Ru\n0.245965 -0.000000 0.000000 Ru\n",
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{
"id": "jvasp-81370",
"created_at": "2022-09-04T14:37:10.648696Z",
"updated_at": "2022-09-04T14:37:10.648722Z",
"structure_string": "Hf2 Mo1 Pt1\n1.0\n-8.480098 0.000040 -4.895920\n-9.061253 -0.001517 5.902495\n-5.846425 9.091389 0.334250\nHf Mo Pt\n2 1 1\ndirect\n0.757176 1.000000 0.999999 Hf\n0.242824 0.000001 0.000001 Hf\n0.000000 -0.000000 -0.000000 Mo\n0.500000 0.000000 -0.000000 Pt\n",
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{
"id": "jvasp-98613",
"created_at": "2022-09-04T14:36:12.326818Z",
"updated_at": "2022-09-04T14:36:12.326838Z",
"structure_string": "Rb6 V4 Br18\n1.0\n7.357935 -0.000000 -0.000000\n-3.678968 6.372159 0.000000\n0.000000 0.000000 18.323450\nRb V Br\n6 4 18\ndirect\n0.666667 0.333333 0.572531 Rb\n0.333333 0.666667 0.072531 Rb\n0.333333 0.666667 0.427469 Rb\n0.666667 0.333333 0.927469 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666667 0.333333 0.161329 V\n0.333333 0.666667 0.838671 V\n0.333333 0.666667 0.661329 V\n0.666667 0.333333 0.338671 V\n0.169837 0.339675 0.587908 Br\n0.990814 0.495407 0.250000 Br\n0.339675 0.169837 0.087908 Br\n0.169837 0.830163 0.912092 Br\n0.495407 0.504594 0.750000 Br\n0.504594 0.495407 0.250000 Br\n0.495407 0.990813 0.750000 Br\n0.830163 0.660325 0.087908 Br\n0.830163 0.169837 0.412092 Br\n0.009187 0.504594 0.750000 Br\n0.169837 0.339675 0.912092 Br\n0.339675 0.169837 0.412092 Br\n0.504594 0.009187 0.250000 Br\n0.660325 0.830163 0.587908 Br\n0.169837 0.830163 0.587908 Br\n0.830163 0.660325 0.412092 Br\n0.660325 0.830163 0.912092 Br\n0.830163 0.169837 0.087908 Br\n",
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{
"id": "jvasp-98066",
"created_at": "2022-09-04T14:35:44.875809Z",
"updated_at": "2022-09-04T14:35:44.875832Z",
"structure_string": "B20 Pb8 Cl4 O36\n1.0\n6.605529 0.000000 0.000000\n0.000000 11.403927 0.000000\n0.000000 0.000000 11.428218\nB Pb Cl O\n20 8 4 36\ndirect\n0.811208 0.272647 0.959309 B\n0.201935 0.324628 0.272711 B\n0.979895 0.498653 0.742228 B\n0.852474 0.694710 0.816928 B\n0.479895 -0.001347 0.757772 B\n0.201935 0.675372 0.727289 B\n0.311208 0.772647 0.540692 B\n0.036632 0.721597 0.213025 B\n0.701935 0.175372 0.772712 B\n0.979895 0.501348 0.257772 B\n0.352473 0.194710 0.683072 B\n0.479895 0.001347 0.242228 B\n0.036632 0.278403 0.786975 B\n0.852474 0.305290 0.183072 B\n0.311208 0.227353 0.459308 B\n0.701935 0.824628 0.227289 B\n0.811208 0.727353 0.040692 B\n0.536632 0.221597 0.286975 B\n0.352473 0.805290 0.316928 B\n0.536632 0.778403 0.713025 B\n0.832454 0.739435 0.478775 Pb\n0.000603 0.956863 0.746736 Pb\n0.000603 0.043137 0.253265 Pb\n0.832454 0.260565 0.521225 Pb\n0.332454 0.239435 0.021225 Pb\n0.500603 0.543137 0.246736 Pb\n0.332454 0.760565 0.978775 Pb\n0.500603 0.456863 0.753265 Pb\n0.119345 0.000000 0.000000 Cl\n0.873423 0.000000 0.500000 Cl\n0.373423 0.500000 0.000000 Cl\n0.619345 0.500000 0.500000 Cl\n0.159532 0.548165 0.707999 O\n0.328171 0.933609 0.289195 O\n0.571925 0.777716 0.321080 O\n0.071924 0.722284 0.821080 O\n0.502896 0.792709 0.582930 O\n0.328171 0.066392 0.710805 O\n0.159461 0.258687 0.381380 O\n0.944576 0.381464 0.724961 O\n0.659461 0.241313 0.881380 O\n0.002896 0.292709 0.917071 O\n0.944576 0.618536 0.275039 O\n0.918231 0.821677 0.258220 O\n0.418231 0.678323 0.758220 O\n0.571925 0.222284 0.678920 O\n0.418231 0.321677 0.241780 O\n0.002896 0.707291 0.082930 O\n0.444576 0.118536 0.224961 O\n0.254222 0.266276 0.774586 O\n0.254222 0.733724 0.225414 O\n0.444576 0.881465 0.775039 O\n0.659532 0.951836 0.207999 O\n0.918231 0.178323 0.741780 O\n0.071924 0.277716 0.178920 O\n0.754222 0.766276 0.725414 O\n0.659532 0.048164 0.792001 O\n0.828171 0.566392 0.789196 O\n0.751855 0.718843 0.927634 O\n0.502896 0.207291 0.417070 O\n0.251855 0.218843 0.572367 O\n0.828171 0.433608 0.210805 O\n0.659461 0.758688 0.118620 O\n0.159461 0.741313 0.618620 O\n0.754222 0.233724 0.274586 O\n0.251855 0.781157 0.427634 O\n0.751855 0.281157 0.072367 O\n0.159532 0.451836 0.292001 O\n",
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{
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"structure_string": "Hf2 Cu1 Tc1\n1.0\n-8.555760 -0.000000 -4.939670\n-9.091384 0.026812 5.867398\n-5.895021 9.067495 0.331134\nHf Cu Tc\n2 1 1\ndirect\n0.727482 0.000000 -0.000000 Hf\n0.272518 0.000000 -0.000000 Hf\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 -0.000000 Tc\n",
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"formula_full": "Hf2 Cu1 Tc1",
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{
"id": "jvasp-77078",
"created_at": "2022-09-04T14:37:13.429493Z",
"updated_at": "2022-09-04T14:37:13.429512Z",
"structure_string": "Li1 Si1 Ag2\n1.0\n-8.818770 -0.000000 -5.091519\n-9.145901 -0.004202 5.658127\n-5.986243 8.932661 0.185438\nLi Si Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 -0.000000 Si\n0.736360 -0.000000 -0.000000 Ag\n0.263640 -0.000000 -0.000000 Ag\n",
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{
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"created_at": "2022-09-04T14:36:05.475487Z",
"updated_at": "2022-09-04T14:36:05.475506Z",
"structure_string": "Rb14 Nb2 As8\n1.0\n8.550154 0.000000 0.000000\n0.000000 9.541474 0.000000\n0.000000 0.000000 10.565688\nRb Nb As\n14 2 8\ndirect\n0.131343 0.036474 0.000000 Rb\n0.296711 0.832238 0.287686 Rb\n0.796711 0.167761 0.212314 Rb\n0.296711 0.832238 0.712314 Rb\n0.121780 0.465165 0.291509 Rb\n0.621779 0.534835 0.208491 Rb\n0.621779 0.534835 0.791509 Rb\n0.796711 0.167761 0.787686 Rb\n0.840072 0.657700 0.500000 Rb\n0.340072 0.342300 0.000000 Rb\n0.101799 0.090036 0.500000 Rb\n0.601799 0.909964 0.000000 Rb\n0.631343 0.963525 0.500000 Rb\n0.121780 0.465165 0.708491 Rb\n-0.000572 0.677793 0.000000 Nb\n0.499428 0.322206 0.500000 Nb\n0.406401 0.192843 0.300304 As\n0.293116 0.685018 0.000000 As\n0.793115 0.314981 0.500000 As\n0.923357 0.421137 0.000000 As\n0.423358 0.578862 0.500000 As\n0.906400 0.807157 0.800304 As\n0.406401 0.192843 0.699696 As\n0.906400 0.807157 0.199696 As\n",
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{
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"created_at": "2022-09-04T14:37:52.385210Z",
"updated_at": "2022-09-04T14:37:52.385218Z",
"structure_string": "Al1 Tc2 Sb1\n1.0\n-8.749214 0.000000 -5.051361\n-9.128484 -0.015101 5.708277\n-5.952113 8.969029 0.206642\nAl Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.752156 -0.000000 -0.000000 Tc\n0.247844 -0.000000 -0.000000 Tc\n0.500000 -0.000000 -0.000000 Sb\n",
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{
"id": "jvasp-21007",
"created_at": "2022-09-04T14:38:17.662505Z",
"updated_at": "2022-09-04T14:38:17.662530Z",
"structure_string": "Li56 V8 N32\n1.0\n9.520072 -0.000000 -0.000000\n0.000000 9.520072 -0.000000\n0.000000 -0.000000 9.520072\nLi V N\n56 8 32\ndirect\n0.864928 0.379957 0.395663 Li\n0.383830 0.369507 0.630548 Li\n0.369507 0.630548 0.383830 Li\n0.883830 0.130493 0.369452 Li\n0.616169 0.869507 0.869452 Li\n0.869507 0.869452 0.616169 Li\n0.869452 0.616169 0.869507 Li\n0.369452 0.616169 0.630493 Li\n0.869452 0.883830 0.369507 Li\n0.630548 0.116170 0.869507 Li\n0.883830 0.369507 0.869452 Li\n0.132703 0.132703 0.132703 Li\n0.367297 0.867297 0.632703 Li\n0.632703 0.367297 0.867297 Li\n0.867297 0.632703 0.367297 Li\n0.867297 0.867297 0.867297 Li\n0.632703 0.132703 0.367297 Li\n0.367297 0.632703 0.132703 Li\n0.130548 0.383830 0.130493 Li\n0.130493 0.130548 0.383830 Li\n0.383830 0.130493 0.130548 Li\n0.116170 0.869507 0.630548 Li\n0.630493 0.369452 0.616169 Li\n0.616169 0.630493 0.369452 Li\n0.369507 0.869452 0.883830 Li\n0.630548 0.383830 0.369507 Li\n0.630493 0.130548 0.116170 Li\n0.130493 0.369452 0.883830 Li\n0.132703 0.367297 0.632703 Li\n0.369452 0.883830 0.130493 Li\n0.116170 0.630493 0.130548 Li\n0.364928 0.120042 0.604337 Li\n0.135072 0.879957 0.104337 Li\n0.120042 0.604337 0.364928 Li\n0.104337 0.135072 0.879957 Li\n0.604337 0.364928 0.120042 Li\n0.379957 0.395663 0.864928 Li\n0.395663 0.864928 0.379957 Li\n0.879957 0.104337 0.135072 Li\n0.620042 0.895663 0.635072 Li\n0.895663 0.635072 0.620042 Li\n0.635072 0.620042 0.895663 Li\n0.135072 0.620042 0.604337 Li\n0.864928 0.120042 0.895663 Li\n0.879957 0.395663 0.635072 Li\n0.895663 0.864928 0.120042 Li\n0.395663 0.635072 0.879957 Li\n0.620042 0.604337 0.135072 Li\n0.604337 0.135072 0.620042 Li\n0.120042 0.895663 0.864928 Li\n0.379957 0.104337 0.364928 Li\n0.104337 0.364928 0.379957 Li\n0.869507 0.630548 0.116170 Li\n0.364928 0.379957 0.104337 Li\n0.130548 0.116170 0.630493 Li\n0.635072 0.879957 0.395663 Li\n0.870559 0.129440 0.629440 V\n0.370560 0.370560 0.370560 V\n0.629440 0.870559 0.129440 V\n0.129440 0.629440 0.870559 V\n0.870559 0.370560 0.129440 V\n0.129440 0.870559 0.370560 V\n0.370560 0.129440 0.870559 V\n0.629440 0.629440 0.629440 V\n0.520448 0.986230 0.241051 N\n0.020448 0.513769 0.758949 N\n0.741051 0.979551 0.013769 N\n0.979551 0.013769 0.741051 N\n0.241051 0.520448 0.986230 N\n0.258949 0.479551 0.486230 N\n0.486230 0.258949 0.479551 N\n0.259827 0.240173 0.759827 N\n0.240173 0.759827 0.259827 N\n0.759827 0.259827 0.240173 N\n0.740173 0.740173 0.740173 N\n0.740173 0.759827 0.240173 N\n0.759827 0.240173 0.740173 N\n0.479551 0.486230 0.258949 N\n0.758949 0.020448 0.513769 N\n0.513769 0.758949 0.020448 N\n0.013769 0.741051 0.979551 N\n0.513769 0.741051 0.520448 N\n0.520448 0.513769 0.741051 N\n0.741051 0.520448 0.513769 N\n0.758949 0.479551 0.013769 N\n0.020448 0.986230 0.258949 N\n0.258949 0.020448 0.986230 N\n0.979551 0.486230 0.241051 N\n0.479551 0.013769 0.758949 N\n0.241051 0.979551 0.486230 N\n0.013769 0.758949 0.479551 N\n0.486230 0.241051 0.979551 N\n0.986230 0.258949 0.020448 N\n0.240173 0.740173 0.759827 N\n0.986230 0.241051 0.520448 N\n0.259827 0.259827 0.259827 N\n",
"nsites": 96,
"nelements": 3,
"elements": [
"Li",
"V",
"N"
],
"chemical_system": "Li-N-V",
"density": 2.394987209282275,
"density_atomic": 0.11126294068551855,
"volume": 862.8209843144556,
"volume_molar": 5.412530643982712,
"formula_full": "Li56 V8 N32",
"formula_reduced": "Li7VN4",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.9547381,
"spacegroup": 205
}
]
}