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{
"id": "jvasp-38251",
"created_at": "2022-09-04T14:38:16.552975Z",
"updated_at": "2022-09-04T14:38:16.553003Z",
"structure_string": "Rb4 Be4 H12\n1.0\n0.000000 6.835772 -0.005012\n5.631392 0.000000 0.000000\n0.000000 -2.434681 -9.286439\nRb Be H\n4 4 12\ndirect\n0.233330 0.249976 0.200752 Rb\n0.766670 0.749976 0.299248 Rb\n0.233330 0.250024 0.700752 Rb\n0.766670 0.750023 0.799248 Rb\n0.751853 0.250014 0.000945 Be\n0.248147 0.750014 0.499055 Be\n0.751853 0.249985 0.500945 Be\n0.248147 0.749985 0.999055 Be\n0.638878 0.250018 0.856461 H\n0.361122 0.750018 0.643539 H\n0.817181 0.033989 0.570039 H\n0.817155 0.466023 0.569989 H\n0.182844 0.533976 0.430011 H\n0.817181 0.466011 0.070039 H\n0.638878 0.249982 0.356461 H\n0.361122 0.749982 0.143539 H\n0.182818 0.533989 0.929961 H\n0.817155 0.033977 0.069989 H\n0.182818 0.966011 0.429961 H\n0.182845 0.966023 0.930011 H\n",
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{
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"updated_at": "2022-09-04T14:38:16.551139Z",
"structure_string": "Fe4 P1\n1.0\n4.132603 0.000000 0.000000\n0.000000 4.132603 0.000000\n0.000000 0.000000 4.132387\nFe P\n4 1\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 P\n",
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{
"id": "jvasp-19674",
"created_at": "2022-09-04T14:38:16.548826Z",
"updated_at": "2022-09-04T14:38:16.548847Z",
"structure_string": "Pd2 O2\n1.0\n3.070973 0.000000 0.000000\n-0.000000 3.070973 0.000000\n0.000000 0.000000 5.416834\nPd O\n2 2\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.749999 O\n0.000000 0.000000 0.250000 O\n",
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},
{
"id": "jvasp-109347",
"created_at": "2022-09-04T14:38:16.547213Z",
"updated_at": "2022-09-04T14:38:16.547235Z",
"structure_string": "Zr1 Ti1\n1.0\n3.091707 0.000000 0.000000\n-1.545854 2.677497 0.000000\n-0.000000 -0.000000 4.880881\nZr Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333335 0.666668 0.500000 Ti\n",
"nsites": 2,
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"elements": [
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"volume": 40.40410969071702,
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},
{
"id": "jvasp-110271",
"created_at": "2022-09-04T14:38:16.538882Z",
"updated_at": "2022-09-04T14:38:16.538912Z",
"structure_string": "Ce2 Si4 Os1 Ru3\n1.0\n4.215566 0.000000 0.000000\n0.000000 4.215566 0.000000\n0.000000 0.000000 9.720905\nCe Si Os Ru\n2 4 1 3\ndirect\n0.500001 0.000000 0.750089 Ce\n-0.000000 0.500001 0.249910 Ce\n-0.000000 0.500001 0.881251 Si\n0.500001 0.000000 0.382861 Si\n0.500001 0.000000 0.118748 Si\n-0.000000 0.500001 0.617139 Si\n0.500001 0.500001 -0.000000 Os\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
"nsites": 10,
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"elements": [
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"formula_full": "Ce2 Si4 Os1 Ru3",
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{
"id": "jvasp-13820",
"created_at": "2022-09-04T14:38:16.534152Z",
"updated_at": "2022-09-04T14:38:16.534176Z",
"structure_string": "Ta1 Mn2 O3\n1.0\n2.445257 -4.235310 0.000000\n2.445257 4.235310 -0.000000\n0.000000 0.000000 3.032390\nTa Mn O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666668 0.500000 Mn\n0.666668 0.333334 0.500000 Mn\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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"volume": 62.80941752791012,
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"spacegroup": 191
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{
"id": "jvasp-108960",
"created_at": "2022-09-04T14:38:16.531504Z",
"updated_at": "2022-09-04T14:38:16.531525Z",
"structure_string": "Nd1 Co1 O3\n1.0\n3.789746 -0.000000 0.000000\n0.000000 3.789746 0.000000\n0.000000 -0.000000 3.789746\nNd Co O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Co\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
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"volume": 54.42899428933053,
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},
{
"id": "jvasp-17724",
"created_at": "2022-09-04T14:38:16.529881Z",
"updated_at": "2022-09-04T14:38:16.529900Z",
"structure_string": "Pu3 Ga1\n1.0\n4.539667 -0.000000 0.000000\n0.000000 4.539667 0.000000\n0.000000 0.000000 4.539667\nPu Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.500000 0.000000 0.500000 Pu\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 14.229886930329963,
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"volume": 93.55607452187124,
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"formula_full": "Pu3 Ga1",
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{
"id": "jvasp-109486",
"created_at": "2022-09-04T14:38:16.529733Z",
"updated_at": "2022-09-04T14:38:16.529764Z",
"structure_string": "Rb2 Al1 Tl1 Br6\n1.0\n6.869209 -0.000000 3.965940\n2.289736 6.476352 3.965940\n-0.000000 -0.000000 7.931879\nRb Al Tl Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.775632 0.224368 0.224369 Br\n0.224369 0.224368 0.775631 Br\n0.224369 0.775631 0.775631 Br\n0.224369 0.775631 0.224368 Br\n0.775632 0.224368 0.775631 Br\n0.775632 0.775631 0.224368 Br\n",
"nsites": 10,
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"elements": [
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"Tl",
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],
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"density": 4.149241563635046,
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"volume": 352.86879633697646,
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"formula_full": "Rb2 Al1 Tl1 Br6",
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{
"id": "jvasp-25643",
"created_at": "2022-09-04T14:38:16.528382Z",
"updated_at": "2022-09-04T14:38:16.528418Z",
"structure_string": "K8 Be8 Si12 O36\n1.0\n0.000000 10.262141 0.030137\n6.953847 0.000000 0.000000\n0.000000 -3.539018 -11.686616\nK Be Si O\n8 8 12 36\ndirect\n0.539970 0.372238 0.856770 K\n0.062051 0.109567 0.646782 K\n0.460029 0.872238 0.643230 K\n0.460030 0.627762 0.143230 K\n0.539970 0.127762 0.356770 K\n0.062051 0.390433 0.146782 K\n0.937948 0.890433 0.353218 K\n0.937948 0.609567 0.853218 K\n0.568470 0.908585 0.956321 Be\n0.431530 0.408585 0.543679 Be\n0.062341 0.426949 0.441626 Be\n0.568470 0.591416 0.456321 Be\n0.937659 0.573051 0.558374 Be\n0.937659 0.926949 0.058374 Be\n0.062341 0.073051 0.941626 Be\n0.431530 0.091416 0.043679 Be\n0.243748 0.531621 0.681798 Si\n0.756251 0.468379 0.318202 Si\n0.255300 0.679011 0.372381 Si\n0.756251 0.031621 0.818203 Si\n0.255300 0.820990 0.872381 Si\n0.238244 0.386407 0.920686 Si\n0.243749 0.968379 0.181797 Si\n0.761756 0.613594 0.079314 Si\n0.238244 0.113594 0.420686 Si\n0.761756 0.886407 0.579314 Si\n0.744700 0.320990 0.627619 Si\n0.744700 0.179011 0.127619 Si\n0.100449 0.201560 0.439922 O\n0.239141 0.623603 0.944865 O\n0.600756 0.429509 0.566328 O\n0.899551 0.798440 0.560078 O\n0.877376 0.048056 0.142948 O\n0.399243 0.929509 0.933672 O\n0.600756 0.070492 0.066328 O\n0.380202 0.493997 0.645727 O\n0.257947 0.752264 0.243081 O\n0.760859 0.376398 0.055136 O\n0.102995 0.518949 0.576969 O\n0.742053 0.247736 0.756919 O\n0.897004 0.018949 0.923031 O\n0.100449 0.298440 0.939922 O\n0.122624 0.951944 0.857052 O\n0.399243 0.570492 0.433672 O\n0.760859 0.123603 0.555136 O\n0.379949 0.303342 0.002910 O\n0.380202 0.006003 0.145727 O\n0.620050 0.803342 0.497090 O\n0.379949 0.196658 0.502910 O\n0.763028 0.873769 0.716923 O\n0.899551 0.701560 0.060078 O\n0.877375 0.451944 0.642948 O\n0.236971 0.373769 0.783077 O\n0.620050 0.696659 0.997090 O\n0.236971 0.126231 0.283077 O\n0.102995 0.981052 0.076969 O\n0.122624 0.548056 0.357052 O\n0.239141 0.876398 0.444864 O\n0.257947 0.747737 0.743081 O\n0.619798 0.506003 0.354273 O\n0.897004 0.481052 0.423031 O\n0.742053 0.252264 0.256919 O\n0.619798 0.993997 0.854273 O\n0.763028 0.626231 0.216923 O\n",
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"formula_full": "K8 Be8 Si12 O36",
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{
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"updated_at": "2022-09-04T14:38:16.519576Z",
"structure_string": "La1 Hg2\n1.0\n2.547526 -4.412446 -0.000000\n2.547526 4.412446 -0.000000\n-0.000000 0.000000 3.536611\nLa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
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{
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"created_at": "2022-09-04T14:38:16.511910Z",
"updated_at": "2022-09-04T14:38:16.511943Z",
"structure_string": "Cu4 Sb2\n1.0\n4.051294 0.000000 0.000000\n0.000000 4.051294 0.000000\n0.000000 0.000000 6.162025\nCu Sb\n4 2\ndirect\n0.499999 0.499999 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.499999 0.264159 Cu\n0.499999 0.000000 0.735840 Cu\n0.000000 0.499999 0.699127 Sb\n0.499999 0.000000 0.300872 Sb\n",
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]
}