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{
"id": "jvasp-16695",
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"structure_string": "Tm2 Al3 Si2\n1.0\n4.021032 0.000000 0.000000\n-2.010516 4.958907 -0.917088\n0.000000 -0.000312 6.588749\nTm Al Si\n2 3 2\ndirect\n0.381004 0.762011 0.678269 Tm\n0.618995 0.237990 0.321731 Tm\n0.695278 0.390558 0.866556 Al\n0.000000 0.000000 0.000000 Al\n0.304722 0.609444 0.133444 Al\n0.905242 0.810486 0.362112 Si\n0.094757 0.189515 0.637888 Si\n",
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{
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"structure_string": "Ga2 Pd1 I8\n1.0\n7.559239 -0.027943 0.558584\n0.291948 7.162682 3.631769\n-0.059509 0.109142 8.035144\nGa Pd I\n2 1 8\ndirect\n0.658474 0.211187 0.211187 Ga\n0.341526 0.788813 0.788813 Ga\n0.000000 0.000000 0.000000 Pd\n0.144854 0.656334 0.108566 I\n0.855146 0.891434 0.343665 I\n0.344596 0.158005 0.158004 I\n0.655404 0.841995 0.841995 I\n0.144854 0.108565 0.656334 I\n0.855146 0.343666 0.891434 I\n0.682150 0.392858 0.392857 I\n0.317851 0.607142 0.607142 I\n",
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{
"id": "jvasp-35446",
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"updated_at": "2022-09-04T14:37:55.334408Z",
"structure_string": "Pu2 W2 C3\n1.0\n0.000000 3.289951 0.000000\n-0.193470 0.000000 5.684308\n5.575675 -1.644976 -2.174520\nPu W C\n2 2 3\ndirect\n0.394981 0.192523 0.789965 Pu\n0.605017 0.807477 0.210036 Pu\n0.155979 0.327438 0.311960 W\n0.844019 0.672562 0.688041 W\n0.251111 0.744684 0.502223 C\n0.748888 0.255317 0.497778 C\n0.000000 0.000000 0.000000 C\n",
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"volume": 102.88712987698344,
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"formula_full": "Pu2 W2 C3",
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"formula_anonymous": "A2B2C3",
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},
{
"id": "jvasp-36764",
"created_at": "2022-09-04T14:37:55.386744Z",
"updated_at": "2022-09-04T14:37:55.386777Z",
"structure_string": "Cu1 Hg1 O2\n1.0\n0.000000 -3.002100 0.000000\n2.979042 -1.501050 -1.770571\n2.963166 -1.501050 4.633769\nCu Hg O\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Hg\n0.934640 0.912436 0.718284 O\n0.065360 0.087564 0.281716 O\n",
"nsites": 4,
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"density": 8.598104491049083,
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"volume": 57.192071216591884,
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"formula_full": "Cu1 Hg1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-36834",
"created_at": "2022-09-04T14:37:56.131002Z",
"updated_at": "2022-09-04T14:37:56.131023Z",
"structure_string": "Sr2 Ag2 O4\n1.0\n-1.893199 3.066988 -0.026864\n-4.891781 -3.078873 -1.647267\n0.007203 0.012258 6.010180\nSr Ag O\n2 2 4\ndirect\n0.000000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Ag\n0.500001 0.500000 0.500000 Ag\n0.500001 0.283026 0.716975 O\n0.500001 0.716974 0.283025 O\n0.213165 0.249758 0.249758 O\n0.786837 0.750242 0.750242 O\n",
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"density": 6.037728715759682,
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"formula_full": "Sr2 Ag2 O4",
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"spacegroup": 12
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{
"id": "jvasp-36835",
"created_at": "2022-09-04T14:37:56.185562Z",
"updated_at": "2022-09-04T14:37:56.185588Z",
"structure_string": "Na1 Au1 O2\n1.0\n-1.129888 -2.709607 -0.824511\n-3.585186 -0.034164 -0.613438\n0.007870 -0.008304 -5.622258\nNa Au O\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Na\n0.500001 0.000000 -0.000000 Au\n0.088791 0.070272 0.752144 O\n0.911207 0.929730 0.247857 O\n",
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"volume": 54.39415746156378,
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"formula_full": "Na1 Au1 O2",
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"spacegroup": 12
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{
"id": "jvasp-77197",
"created_at": "2022-09-04T14:37:56.521350Z",
"updated_at": "2022-09-04T14:37:56.521377Z",
"structure_string": "Mg1 Sc1 Ir2\n1.0\n-10.524856 2.202624 -2.479660\n-7.413939 1.259492 0.789137\n-6.544210 3.719465 -0.717280\nMg Sc Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.000000 -0.000001 Sc\n0.735190 0.015023 0.015021 Ir\n0.264811 -0.015022 -0.015023 Ir\n",
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"spacegroup": 12
},
{
"id": "jvasp-21470",
"created_at": "2022-09-04T14:37:56.495462Z",
"updated_at": "2022-09-04T14:37:56.495487Z",
"structure_string": "Dy6 Ni4\n1.0\n3.636070 0.000000 0.000000\n-1.818035 6.363319 -1.777180\n0.000000 0.026734 9.462610\nDy Ni\n6 4\ndirect\n0.145197 0.290393 0.367891 Dy\n0.854804 0.709607 0.632109 Dy\n0.596254 0.192508 0.670637 Dy\n0.403747 0.807492 0.329363 Dy\n0.868485 0.736969 0.003112 Dy\n0.131516 0.263031 0.996888 Dy\n0.254650 0.509299 0.774639 Ni\n0.745351 0.490700 0.225361 Ni\n0.466221 0.932439 0.854351 Ni\n0.533780 0.067560 0.145649 Ni\n",
"nsites": 10,
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"elements": [
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"density": 9.168193832924658,
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"formula_full": "Dy6 Ni4",
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{
"id": "jvasp-16489",
"created_at": "2022-09-04T14:37:56.251302Z",
"updated_at": "2022-09-04T14:37:56.251327Z",
"structure_string": "P4 W2\n1.0\n3.133049 -0.000000 0.759624\n1.473436 4.277349 0.763754\n0.015966 0.014340 6.775046\nP W\n4 2\ndirect\n0.138025 0.750010 0.973944 P\n0.861978 0.249990 0.026055 P\n0.401641 0.799054 0.397666 P\n0.598362 0.200946 0.602333 P\n0.842047 0.609398 0.706512 W\n0.157956 0.390602 0.293487 W\n",
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},
{
"id": "jvasp-36836",
"created_at": "2022-09-04T14:37:56.413231Z",
"updated_at": "2022-09-04T14:37:56.413262Z",
"structure_string": "Pd2 Au2 O4\n1.0\n1.157758 2.742943 0.731745\n5.248566 -2.713752 1.868276\n0.052644 -0.020404 -6.429530\nPd Au O\n2 2 4\ndirect\n0.000001 0.500000 -0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.264108 0.216934 0.528214 Au\n0.735894 0.783066 0.471786 Au\n0.564087 0.721444 0.128172 O\n0.902406 0.830384 0.804810 O\n0.097595 0.169616 0.195190 O\n0.435915 0.278556 0.871828 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-9283",
"created_at": "2022-09-04T14:37:56.498193Z",
"updated_at": "2022-09-04T14:37:56.498219Z",
"structure_string": "Mg4 Co4 O8\n1.0\n2.906852 0.008778 -0.036488\n1.435095 7.494049 0.177252\n0.099443 0.793637 8.113562\nMg Co O\n4 4 8\ndirect\n0.643451 0.682577 0.976320 Mg\n0.340437 0.289220 0.043764 Mg\n0.550032 0.869193 0.262980 Mg\n0.433851 0.102607 0.757106 Mg\n0.771787 0.426288 0.715732 Co\n0.127271 0.714842 0.652184 Co\n0.856603 0.256958 0.367896 Co\n0.212091 0.545511 0.304349 Co\n0.764271 0.441309 0.165106 O\n0.872196 0.225636 0.593870 O\n0.111688 0.746162 0.426213 O\n0.219612 0.530489 0.854974 O\n0.887434 0.195315 0.906153 O\n0.562981 0.843299 0.755355 O\n0.096451 0.776483 0.113929 O\n0.420894 0.128500 0.264727 O\n",
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"formula_full": "Mg4 Co4 O8",
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{
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"created_at": "2022-09-04T14:37:56.697533Z",
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"structure_string": "Ti3 Te4\n1.0\n3.708767 -0.000000 -0.991002\n-0.861028 6.186465 -3.222345\n0.012356 -0.049652 7.481664\nTi Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752149 0.706673 0.504296 Ti\n0.247853 0.293328 0.495704 Ti\n0.633717 0.960245 0.267433 Te\n0.366285 0.039757 0.732567 Te\n0.108681 0.450623 0.217361 Te\n0.891321 0.549378 0.782639 Te\n",
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