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{
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{
"id": "jvasp-36094",
"created_at": "2022-09-04T14:37:30.691523Z",
"updated_at": "2022-09-04T14:37:30.691546Z",
"structure_string": "Ce2 Cu4 Sb4\n1.0\n4.703366 0.000000 0.000000\n0.000000 4.703366 0.000000\n0.000000 -0.000000 9.902674\nCe Cu Sb\n2 4 4\ndirect\n0.000000 0.500000 0.759007 Ce\n0.500000 0.000000 0.240993 Ce\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.378265 Cu\n0.500000 0.000000 0.621734 Cu\n0.000000 0.500000 0.126404 Sb\n0.500000 0.000000 0.873595 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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"formula_full": "Ce2 Cu4 Sb4",
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{
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"structure_string": "Mg8 H16\n1.0\n4.792072 -0.000000 0.000000\n0.000000 4.876557 0.000000\n0.000000 0.000000 9.374959\nMg H\n8 16\ndirect\n0.278710 0.027864 0.117974 Mg\n0.221290 0.527864 0.882027 Mg\n0.721290 0.472137 0.617974 Mg\n0.778709 0.472137 0.117974 Mg\n0.778709 0.972137 0.382026 Mg\n0.278710 0.527864 0.382026 Mg\n0.221290 0.027864 0.617974 Mg\n0.721290 0.972137 0.882027 Mg\n0.158780 0.874119 0.294943 H\n0.658780 0.125882 0.205057 H\n0.477732 0.756657 0.526359 H\n0.522267 0.743344 0.026359 H\n0.841219 0.125882 0.705057 H\n0.841219 0.625882 0.794943 H\n0.977732 0.243343 0.973641 H\n0.977732 0.743344 0.526359 H\n0.341219 0.874119 0.794943 H\n0.341219 0.374118 0.705057 H\n0.158780 0.374118 0.205057 H\n0.022268 0.756657 0.026359 H\n0.022268 0.256657 0.473641 H\n0.522267 0.243343 0.473641 H\n0.477732 0.256657 0.973641 H\n0.658780 0.625882 0.294943 H\n",
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"elements": [
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{
"id": "jvasp-38605",
"created_at": "2022-09-04T14:37:56.659530Z",
"updated_at": "2022-09-04T14:37:56.659550Z",
"structure_string": "Nd6 Si2\n1.0\n3.487843 -6.041122 0.000000\n3.487843 6.041122 -0.000000\n0.000000 0.000000 5.199417\nNd Si\n6 2\ndirect\n0.819927 0.180072 0.250000 Nd\n0.819927 0.639854 0.250000 Nd\n0.360145 0.180072 0.250000 Nd\n0.180072 0.819927 0.750000 Nd\n0.180072 0.360145 0.750000 Nd\n0.639854 0.819927 0.750000 Nd\n0.666666 0.333333 0.750000 Si\n0.333333 0.666666 0.250000 Si\n",
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"density_atomic": 0.03651159518108964,
"volume": 219.1084766447953,
"volume_molar": 16.49377610080162,
"formula_full": "Nd6 Si2",
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"spacegroup": 194
},
{
"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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"formula_full": "Dy6 Ni4",
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{
"id": "jvasp-101978",
"created_at": "2022-09-04T14:37:51.400936Z",
"updated_at": "2022-09-04T14:37:51.400961Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.923134 -0.089140 -0.367774\n-0.738019 4.298334 -0.126764\n-0.465087 -0.064299 13.092116\nH Pb C O\n12 1 8 4\ndirect\n0.534230 0.273074 0.567060 H\n0.085086 0.111352 0.560451 H\n0.081375 0.155365 0.161089 H\n0.653471 0.106004 0.193539 H\n0.405852 0.724505 0.468357 H\n0.347448 0.220436 0.359274 H\n0.231836 0.681428 0.262046 H\n0.802871 0.623384 0.292900 H\n0.994463 0.638181 0.067644 H\n0.575148 0.602440 0.104367 H\n-0.041493 0.624528 0.480507 H\n0.906115 0.120616 0.377936 H\n-0.005572 0.876777 0.826367 Pb\n0.261024 0.502821 0.666173 C\n0.274021 0.333116 0.565086 C\n0.190786 0.523576 0.471455 C\n0.117449 0.322166 0.370750 C\n0.010384 0.497812 0.276278 C\n0.878834 0.284142 0.179192 C\n0.771663 0.466346 0.086163 C\n0.608055 0.262673 0.990466 C\n0.047005 0.376741 0.725419 O\n0.446570 0.775304 0.688733 O\n0.688015 0.346541 0.901642 O\n0.391761 0.012634 -0.000386 O\n",
"nsites": 25,
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"elements": [
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"density_atomic": 0.1140925379228939,
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"formula_full": "H12 Pb1 C8 O4",
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"spacegroup": 1
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{
"id": "jvasp-66118",
"created_at": "2022-09-04T14:36:12.725821Z",
"updated_at": "2022-09-04T14:36:12.725841Z",
"structure_string": "Ba4 Be1 Ru1\n1.0\n-0.000000 4.785034 4.785034\n4.785034 0.000000 4.785034\n4.785034 4.785034 0.000000\nBa Be Ru\n4 1 1\ndirect\n0.123572 0.625476 0.625476 Ba\n0.625476 0.625476 0.625476 Ba\n0.625476 0.123572 0.625476 Ba\n0.625476 0.625476 0.123572 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Ru\n",
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"spacegroup": 216
},
{
"id": "jvasp-119691",
"created_at": "2022-09-04T14:38:51.897152Z",
"updated_at": "2022-09-04T14:38:51.897179Z",
"structure_string": "Co4 Ag4 O12\n1.0\n4.968134 -0.320799 0.180256\n0.279870 5.706869 1.244460\n-0.311778 -0.030507 7.682234\nCo Ag O\n4 4 12\ndirect\n0.500051 0.825359 0.662646 Co\n0.499949 0.174645 0.337356 Co\n0.000052 0.325358 0.162647 Co\n-0.000053 0.674645 0.837354 Co\n-0.001438 0.726399 0.364171 Ag\n0.498557 0.226397 0.864171 Ag\n0.001441 0.273602 0.635827 Ag\n0.501439 0.773600 0.135829 Ag\n0.886430 0.366224 0.927234 O\n0.386430 0.866225 0.427233 O\n0.299361 0.554402 0.740297 O\n0.799362 0.054404 0.240297 O\n0.700637 0.445596 0.259703 O\n0.311321 0.167734 0.127239 O\n0.113570 0.633775 0.072766 O\n0.613566 0.133772 0.572766 O\n0.188679 0.332265 0.372762 O\n0.811320 0.667734 0.627237 O\n0.200639 0.945596 0.759702 O\n0.688677 0.832264 0.872763 O\n",
"nsites": 20,
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"formula_full": "Co4 Ag4 O12",
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{
"id": "jvasp-58486",
"created_at": "2022-09-04T14:38:09.337197Z",
"updated_at": "2022-09-04T14:38:09.337213Z",
"structure_string": "Zn1 Co4 S8\n1.0\n5.656192 -0.191302 3.982282\n1.963495 5.307900 3.982282\n-0.284888 -0.191302 6.911579\nZn Co S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Zn\n0.500001 0.999999 0.500000 Co\n0.999999 0.500000 0.500001 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.761042 0.268783 0.761043 S\n0.238956 0.238957 0.731217 S\n0.238956 0.731218 0.238956 S\n0.731216 0.238957 0.238957 S\n0.262284 0.262285 0.262284 S\n0.737716 0.737717 0.737716 S\n0.268784 0.761044 0.761043 S\n0.761044 0.761044 0.268782 S\n",
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{
"id": "jvasp-40957",
"created_at": "2022-09-04T14:37:43.198864Z",
"updated_at": "2022-09-04T14:37:43.198890Z",
"structure_string": "Ho4 Mg2 Ge4\n1.0\n7.211632 0.000000 0.000000\n0.000000 7.211632 -0.000000\n0.000000 -0.000000 4.214007\nHo Mg Ge\n4 2 4\ndirect\n0.177122 0.322878 0.500000 Ho\n0.322878 0.822878 0.500000 Ho\n0.677122 0.177122 0.500000 Ho\n0.822878 0.677122 0.500000 Ho\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.124754 0.624754 0.000000 Ge\n0.375245 0.124754 0.000000 Ge\n0.624754 0.875245 0.000000 Ge\n0.875245 0.375245 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:37:32.912663Z",
"updated_at": "2022-09-04T14:37:32.912689Z",
"structure_string": "Tb4 Si4 Ir4\n1.0\n4.276045 -0.000000 0.000000\n-0.000000 6.921572 0.000000\n0.000000 0.000000 7.405015\nTb Si Ir\n4 4 4\ndirect\n0.749999 0.502736 0.813669 Tb\n0.250000 0.997264 0.313669 Tb\n0.749999 0.002736 0.686332 Tb\n0.250000 0.497264 0.186332 Tb\n0.250000 0.800837 0.893482 Si\n0.250000 0.300837 0.606519 Si\n0.749999 0.199163 0.106518 Si\n0.749999 0.699162 0.393482 Si\n0.250000 0.659308 0.572108 Ir\n0.250000 0.159309 0.927893 Ir\n0.749999 0.840691 0.072108 Ir\n0.749999 0.340691 0.427893 Ir\n",
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{
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"created_at": "2022-09-04T14:36:01.772100Z",
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"structure_string": "Rb1 Mg6 Al1\n1.0\n6.752651 0.739351 0.000000\n-2.736029 6.217642 0.000000\n0.000000 0.000000 4.980182\nRb Mg Al\n1 6 1\ndirect\n0.382842 0.117158 0.750000 Rb\n0.098937 0.784510 0.250000 Mg\n0.715489 0.401063 0.250000 Mg\n0.637949 0.862050 0.250000 Mg\n0.298734 0.594629 0.750000 Mg\n0.905371 0.201266 0.750000 Mg\n0.808928 0.691072 0.750000 Mg\n0.151748 0.348251 0.250000 Al\n",
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{
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"created_at": "2022-09-04T14:36:51.717609Z",
"updated_at": "2022-09-04T14:36:51.717632Z",
"structure_string": "Hg2 I2 Br2\n1.0\n4.329642 -0.138917 0.000000\n-1.800490 3.939965 -0.000000\n-0.000000 0.000000 13.039319\nHg I Br\n2 2 2\ndirect\n0.844031 0.155968 0.001194 Hg\n0.155968 0.844033 0.501194 Hg\n0.892662 0.107336 0.641693 I\n0.107337 0.892664 0.141693 I\n0.593358 0.406641 0.869113 Br\n0.406641 0.593359 0.369113 Br\n",
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"spacegroup": 36
}
]
}