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"results": [
{
"id": "jvasp-12117",
"created_at": "2022-09-04T14:38:15.643735Z",
"updated_at": "2022-09-04T14:38:15.643764Z",
"structure_string": "Hg4 I4 N4 O12\n1.0\n5.392198 0.000000 0.000000\n-0.000000 7.537444 0.000000\n0.000000 0.000000 12.035426\nHg I N O\n4 4 4 12\ndirect\n0.750000 0.597101 0.271931 Hg\n0.250000 0.902898 0.771931 Hg\n0.250000 0.402899 0.728070 Hg\n0.750000 0.097101 0.228070 Hg\n0.750000 0.882626 0.408927 I\n0.250000 0.617373 0.908928 I\n0.750000 0.382626 0.091073 I\n0.250000 0.117375 0.591073 I\n0.750000 0.058114 0.855034 N\n0.750000 0.558113 0.644966 N\n0.250000 0.441886 0.355034 N\n0.250000 0.941886 0.144966 N\n0.750000 0.925944 0.788170 O\n0.454620 0.377420 0.387589 O\n0.954621 0.622580 0.612411 O\n0.545380 0.122580 0.887590 O\n0.750000 0.425944 0.711830 O\n0.045380 0.877419 0.112411 O\n0.545380 0.622580 0.612411 O\n0.954621 0.122580 0.887590 O\n0.250000 0.074055 0.211830 O\n0.454620 0.877419 0.112411 O\n0.045380 0.377420 0.387589 O\n0.250000 0.574055 0.288170 O\n",
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{
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"created_at": "2022-09-04T14:38:15.645313Z",
"updated_at": "2022-09-04T14:38:15.645334Z",
"structure_string": "Tc4 P12\n1.0\n3.139276 -0.000000 0.000000\n0.000000 5.183310 0.000000\n0.000000 0.000000 15.514215\nTc P\n4 12\ndirect\n0.250000 0.349933 0.650642 Tc\n0.750001 0.650067 0.349357 Tc\n0.750001 0.849933 0.849357 Tc\n0.250000 0.150067 0.150643 Tc\n0.250000 0.521621 0.793071 P\n0.750001 0.478379 0.206929 P\n0.750001 0.021621 0.706928 P\n0.250000 0.978379 0.293071 P\n0.250000 0.352615 0.012848 P\n0.750001 0.647385 0.987152 P\n0.750001 0.852615 0.487152 P\n0.250000 0.147385 0.512847 P\n0.250000 0.321982 0.381700 P\n0.750001 0.678018 0.618300 P\n0.750001 0.821982 0.118300 P\n0.250000 0.178018 0.881700 P\n",
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{
"id": "jvasp-17826",
"created_at": "2022-09-04T14:38:15.831443Z",
"updated_at": "2022-09-04T14:38:15.831464Z",
"structure_string": "Np4 Si4\n1.0\n2.597486 0.000000 0.000000\n-0.000000 5.529285 0.000000\n0.000000 0.000000 9.596366\nNp Si\n4 4\ndirect\n0.250000 0.432740 0.727737 Np\n0.750001 0.567261 0.272263 Np\n0.750001 0.932740 0.772263 Np\n0.250000 0.067261 0.227737 Np\n0.250000 0.805073 0.510004 Si\n0.750001 0.194928 0.489996 Si\n0.750001 0.305072 0.989997 Si\n0.250000 0.694929 0.010004 Si\n",
"nsites": 8,
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"volume": 137.82531524256413,
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"formula_full": "Np4 Si4",
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"spacegroup": 62
},
{
"id": "jvasp-40726",
"created_at": "2022-09-04T14:37:20.196883Z",
"updated_at": "2022-09-04T14:37:20.196898Z",
"structure_string": "Li4 V8 O12 F4\n1.0\n5.784142 -0.000426 -0.000016\n0.000319 6.068663 -0.001099\n0.000676 0.001570 8.482303\nLi V O F\n4 8 12 4\ndirect\n0.015839 0.000003 0.019389 Li\n0.515874 0.000001 0.230537 Li\n0.484154 0.499998 0.519385 Li\n0.984134 0.500003 0.730533 Li\n0.499982 0.749959 0.875007 V\n0.499983 0.250038 0.875006 V\n0.260037 -0.000000 0.646438 V\n0.759805 -0.000001 0.603578 V\n0.000016 0.249960 0.375010 V\n0.239970 0.500000 0.146440 V\n0.740192 0.500000 0.103577 V\n0.000021 0.750037 0.375005 V\n0.014342 0.777080 0.610279 O\n0.727736 0.500000 0.877710 O\n0.272350 -0.000003 0.872319 O\n0.514353 0.776898 0.639720 O\n0.514354 0.223100 0.639718 O\n0.014344 0.222921 0.610283 O\n0.485656 0.277070 0.110281 O\n0.227649 0.499999 0.372317 O\n0.985644 0.276909 0.139722 O\n0.985654 0.723091 0.139718 O\n0.485661 0.722929 0.110283 O\n0.772262 -0.000005 0.377712 O\n0.749707 0.000000 0.872032 F\n0.750290 0.499998 0.372034 F\n0.249796 0.000003 0.377978 F\n0.250207 0.499996 0.877978 F\n",
"nsites": 28,
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{
"id": "jvasp-51727",
"created_at": "2022-09-04T14:37:27.130181Z",
"updated_at": "2022-09-04T14:37:27.130212Z",
"structure_string": "Li8 H4 I4 O4\n1.0\n5.527022 -0.000000 0.000000\n0.000000 6.646584 0.000000\n0.000000 0.000000 10.182637\nLi H I O\n8 4 4 4\ndirect\n0.000453 0.562271 0.889543 Li\n0.499546 0.937728 0.389543 Li\n0.500453 0.437729 0.110457 Li\n-0.000453 0.062271 0.610457 Li\n-0.000453 0.437729 0.110457 Li\n0.500453 0.062271 0.610457 Li\n0.499546 0.562271 0.889543 Li\n0.000453 0.937728 0.389543 Li\n0.750000 0.275176 0.946902 H\n0.750000 0.224824 0.446902 H\n0.250000 0.724824 0.053098 H\n0.250000 0.775176 0.553098 H\n0.250000 0.417441 0.671421 I\n0.250000 0.082559 0.171421 I\n0.750000 0.582559 0.328579 I\n0.750000 0.917440 0.828579 I\n0.250000 0.914678 0.521137 O\n0.250000 0.585322 0.021137 O\n0.750000 0.085322 0.478863 O\n0.750000 0.414678 0.978864 O\n",
"nsites": 20,
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],
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"density_atomic": 0.05346628914449958,
"volume": 374.06747915396573,
"volume_molar": 11.263435066017736,
"formula_full": "Li8 H4 I4 O4",
"formula_reduced": "Li2HIO",
"formula_anonymous": "ABCD2",
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},
{
"id": "jvasp-19038",
"created_at": "2022-09-04T14:37:27.185951Z",
"updated_at": "2022-09-04T14:37:27.185962Z",
"structure_string": "Sm4 Rh4 O12\n1.0\n5.315270 -0.000000 0.000000\n0.000000 5.864323 0.000000\n0.000000 0.000000 7.726622\nSm Rh O\n4 4 12\ndirect\n0.471370 0.581882 0.750000 Sm\n0.971370 0.918117 0.250000 Sm\n0.028630 0.081882 0.750000 Sm\n0.528630 0.418118 0.250000 Sm\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.878865 0.458165 0.750000 O\n0.378865 0.041835 0.250000 O\n0.820814 0.193184 0.056172 O\n0.320814 0.306816 0.943828 O\n0.679186 0.693184 0.443828 O\n0.320814 0.306816 0.556172 O\n0.179186 0.806816 0.943828 O\n0.679186 0.693184 0.056172 O\n0.121135 0.541834 0.250000 O\n0.820814 0.193184 0.443828 O\n0.179186 0.806816 0.556172 O\n0.621135 0.958165 0.750000 O\n",
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"density_atomic": 0.08304186922546031,
"volume": 240.84236285312423,
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"formula_full": "Sm4 Rh4 O12",
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},
{
"id": "jvasp-59786",
"created_at": "2022-09-04T14:37:27.344327Z",
"updated_at": "2022-09-04T14:37:27.344354Z",
"structure_string": "Pr4 Sn4 Pd4\n1.0\n4.740924 -0.000000 0.000000\n0.000000 7.566254 0.000000\n0.000000 0.000000 8.036219\nPr Sn Pd\n4 4 4\ndirect\n0.250000 0.488119 0.701826 Pr\n0.749999 0.511880 0.298174 Pr\n0.250000 0.988119 0.798174 Pr\n0.749999 0.011880 0.201826 Pr\n0.250000 0.810811 0.412082 Sn\n0.749999 0.689188 0.912082 Sn\n0.250000 0.310812 0.087918 Sn\n0.749999 0.189188 0.587918 Sn\n0.749999 0.299821 0.916048 Pd\n0.250000 0.200178 0.416048 Pd\n0.749999 0.799821 0.583952 Pd\n0.250000 0.700178 0.083952 Pd\n",
"nsites": 12,
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"density": 8.434108310761065,
"density_atomic": 0.04162800257026132,
"volume": 288.26749445270514,
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"formula_full": "Pr4 Sn4 Pd4",
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},
{
"id": "jvasp-57037",
"created_at": "2022-09-04T14:37:27.358335Z",
"updated_at": "2022-09-04T14:37:27.358363Z",
"structure_string": "Ho4 Cu4 S8\n1.0\n3.940021 0.000000 0.000000\n0.000000 6.251361 0.000000\n0.000000 0.000000 13.320604\nHo Cu S\n4 4 8\ndirect\n0.250279 0.251134 0.133578 Ho\n0.750279 0.248866 0.866422 Ho\n0.249720 0.748866 0.633578 Ho\n0.749720 0.751134 0.366422 Ho\n0.749528 0.372189 0.546765 Cu\n0.249528 0.127811 0.453235 Cu\n0.250472 0.872189 0.953235 Cu\n0.750472 0.627811 0.046765 Cu\n0.249696 0.506101 0.459295 S\n0.750271 0.487553 0.206730 S\n0.250271 0.012447 0.793270 S\n0.249729 0.987553 0.293270 S\n0.250304 0.493898 0.959295 S\n0.749696 0.993898 0.540705 S\n0.749729 0.512447 0.706730 S\n0.750304 0.006101 0.040705 S\n",
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"formula_full": "Ho4 Cu4 S8",
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{
"id": "jvasp-12511",
"created_at": "2022-09-04T14:37:27.476817Z",
"updated_at": "2022-09-04T14:37:27.476847Z",
"structure_string": "Pb4 Cl8\n1.0\n4.549166 0.000000 0.000000\n-0.000000 7.617689 0.000000\n0.000000 0.000000 9.130109\nPb Cl\n4 8\ndirect\n0.250000 0.762426 0.595897 Pb\n0.750001 0.237574 0.404103 Pb\n0.250000 0.262426 0.904103 Pb\n0.750001 0.737574 0.095897 Pb\n0.250000 0.980806 0.338253 Cl\n0.750001 0.019194 0.661747 Cl\n0.250000 0.480806 0.161747 Cl\n0.750001 0.519194 0.838253 Cl\n0.750001 0.142051 0.077217 Cl\n0.250000 0.857949 0.922784 Cl\n0.750001 0.642051 0.422784 Cl\n0.250000 0.357949 0.577217 Cl\n",
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{
"id": "jvasp-49598",
"created_at": "2022-09-04T14:37:27.592329Z",
"updated_at": "2022-09-04T14:37:27.592357Z",
"structure_string": "Zn4 Sn4 O12\n1.0\n5.362104 0.000000 0.000000\n-0.000000 5.373146 0.000000\n0.000000 0.000000 7.915966\nZn Sn O\n4 4 12\ndirect\n0.008644 0.027770 0.250000 Zn\n0.508644 0.472231 0.750000 Zn\n0.491355 0.527770 0.250000 Zn\n0.991355 0.972231 0.750000 Zn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.167475 0.171861 0.929678 O\n0.667475 0.328139 0.070323 O\n0.332524 0.671862 0.929678 O\n0.832524 0.828139 0.070323 O\n0.167475 0.171861 0.570323 O\n0.373810 0.904948 0.250000 O\n0.126190 0.404948 0.250000 O\n0.626189 0.095053 0.750000 O\n0.332524 0.671862 0.570323 O\n0.873810 0.595053 0.750000 O\n0.667475 0.328139 0.429678 O\n0.832524 0.828139 0.429678 O\n",
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},
{
"id": "jvasp-59650",
"created_at": "2022-09-04T14:37:27.667200Z",
"updated_at": "2022-09-04T14:37:27.667210Z",
"structure_string": "Nd4 Sn4 Pt4\n1.0\n4.648476 -0.000000 0.000000\n-0.000000 7.452304 0.000000\n0.000000 0.000000 8.122536\nNd Sn Pt\n4 4 4\ndirect\n0.750001 0.488020 0.804785 Nd\n0.250000 0.011980 0.304785 Nd\n0.750001 0.988019 0.695216 Nd\n0.250000 0.511980 0.195215 Nd\n0.250000 0.677094 0.584211 Sn\n0.250000 0.177094 0.915790 Sn\n0.750001 0.322906 0.415790 Sn\n0.750001 0.822905 0.084210 Sn\n0.250000 0.787180 0.909503 Pt\n0.250000 0.287180 0.590498 Pt\n0.750001 0.712819 0.409503 Pt\n0.750001 0.212819 0.090497 Pt\n",
"nsites": 12,
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],
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"volume": 281.37972481182464,
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{
"id": "jvasp-13775",
"created_at": "2022-09-04T14:37:27.697859Z",
"updated_at": "2022-09-04T14:37:27.697890Z",
"structure_string": "Sc4 Fe4 Si4\n1.0\n4.070571 -0.000000 0.000000\n0.000000 6.544054 0.000000\n0.000000 0.000000 6.627483\nSc Fe Si\n4 4 4\ndirect\n0.750000 0.515067 0.808849 Sc\n0.250000 0.984932 0.308850 Sc\n0.750000 0.015067 0.691150 Sc\n0.250000 0.484933 0.191150 Sc\n0.250000 0.653234 0.562018 Fe\n0.250000 0.153235 0.937981 Fe\n0.750000 0.846765 0.062018 Fe\n0.750000 0.346765 0.437981 Fe\n0.250000 0.799202 0.892016 Si\n0.250000 0.299202 0.607983 Si\n0.750000 0.200797 0.107983 Si\n0.750000 0.700797 0.392017 Si\n",
"nsites": 12,
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}
]
}