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{
"id": "jvasp-90336",
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"updated_at": "2022-09-04T14:35:45.395830Z",
"structure_string": "Sr2 H6 Os1\n1.0\n-3.808578 -3.808578 0.000000\n-3.808578 -0.000000 -3.808578\n0.000000 -3.808578 -3.808578\nSr H Os\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.770735 0.229265 0.229265 H\n0.770735 0.229265 0.770735 H\n0.770735 0.770735 0.229265 H\n0.229265 0.770735 0.770735 H\n0.229265 0.770735 0.229265 H\n0.229265 0.229265 0.770735 H\n0.000000 0.000000 0.000000 Os\n",
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{
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"structure_string": "Sr2 H6 Ru1\n1.0\n3.794606 3.794606 0.000000\n0.000000 3.794606 3.794606\n3.794606 0.000000 3.794606\nSr H Ru\n2 6 1\ndirect\n0.750001 0.750001 0.750001 Sr\n0.250000 0.250000 0.250000 Sr\n0.228821 0.771180 0.771180 H\n0.228821 0.228821 0.771180 H\n0.228821 0.771180 0.228821 H\n0.771180 0.228821 0.228821 H\n0.771180 0.771180 0.228821 H\n0.771180 0.228821 0.771180 H\n0.000000 0.000000 0.000000 Ru\n",
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{
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"created_at": "2022-09-04T14:38:53.595768Z",
"updated_at": "2022-09-04T14:38:53.595797Z",
"structure_string": "Sr2 H1 Cl1\n1.0\n-0.000000 3.714744 3.714744\n3.714744 0.000000 3.714744\n3.714744 3.714744 0.000000\nSr H Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.749999 0.749999 Sr\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"density": 3.428903149238146,
"density_atomic": 0.039016052407240834,
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"formula_full": "Sr2 H1 Cl1",
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{
"id": "jvasp-50625",
"created_at": "2022-09-04T14:36:59.925776Z",
"updated_at": "2022-09-04T14:36:59.925788Z",
"structure_string": "Sr2 Hf7 O16\n1.0\n6.386835 0.000000 0.000000\n-3.193417 1.843720 8.907016\n3.193417 -5.531161 -0.000000\nSr Hf O\n2 7 16\ndirect\n0.333739 0.001216 0.333739 Sr\n0.666261 0.998784 0.666261 Sr\n0.000000 0.000000 0.000000 Hf\n0.252303 0.654025 0.514618 Hf\n0.112897 0.345975 0.747697 Hf\n0.485382 0.345975 0.112897 Hf\n0.514618 0.654025 0.887103 Hf\n0.887102 0.654025 0.252303 Hf\n0.747696 0.345975 0.485382 Hf\n0.850680 0.590109 0.590558 O\n0.851127 0.409891 0.149320 O\n0.962430 0.872137 0.230438 O\n0.679268 0.872137 0.962431 O\n0.409442 0.409891 0.851127 O\n0.429923 0.289771 0.429923 O\n0.570076 0.710229 0.570077 O\n0.148873 0.590109 0.850680 O\n0.320731 0.127863 0.037569 O\n0.037570 0.127863 0.769562 O\n0.769561 0.127863 0.320732 O\n0.149320 0.409891 0.409442 O\n0.230438 0.872137 0.679268 O\n0.236048 0.708145 0.236049 O\n0.590558 0.590109 0.148873 O\n0.763951 0.291855 0.763951 O\n",
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"density": 8.869412134347181,
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"volume": 314.6547042368322,
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"formula_full": "Sr2 Hf7 O16",
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"formula_anonymous": "A2B7C16",
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{
"id": "jvasp-67980",
"created_at": "2022-09-04T14:36:04.261145Z",
"updated_at": "2022-09-04T14:36:04.261177Z",
"structure_string": "Sr2 Hf1 Be1\n1.0\n-2.687838 2.687838 3.797667\n2.687838 -2.687838 3.797667\n2.687838 2.687838 -3.797667\nSr Hf Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750001 0.500000 Sr\n0.750001 0.250000 0.500000 Hf\n0.500000 0.500000 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:37:46.079566Z",
"updated_at": "2022-09-04T14:37:46.079592Z",
"structure_string": "Sr4 Hf2 O8\n1.0\n3.362411 0.000000 0.000000\n0.000000 6.066713 -0.000000\n0.000000 0.000000 10.270663\nSr Hf O\n4 2 8\ndirect\n0.500000 0.066230 0.679171 Sr\n0.500000 0.433770 0.179171 Sr\n0.500000 0.566229 0.820829 Sr\n0.500000 0.933770 0.320829 Sr\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.000000 0.131352 0.185033 O\n0.500000 0.212559 0.953864 O\n0.500000 0.287441 0.453864 O\n0.000000 0.368647 0.685033 O\n0.000000 0.631352 0.314967 O\n0.500000 0.712558 0.546136 O\n0.500000 0.787441 0.046136 O\n0.000000 0.868647 0.814967 O\n",
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"density": 6.621700544773706,
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"volume": 209.50902092500573,
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"formula_full": "Sr4 Hf2 O8",
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"spacegroup": 55
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{
"id": "jvasp-52522",
"created_at": "2022-09-04T14:38:17.898472Z",
"updated_at": "2022-09-04T14:38:17.898482Z",
"structure_string": "Sr8 Hf4 O16\n1.0\n0.000000 5.713437 0.000000\n2.856719 -2.856719 13.088595\n5.713437 -0.000000 -0.000000\nSr Hf O\n8 4 16\ndirect\n0.549708 0.599416 0.200292 Sr\n0.950292 0.400584 0.299708 Sr\n0.700292 0.900583 0.049709 Sr\n0.799708 0.099416 0.450292 Sr\n0.450292 0.400584 0.799709 Sr\n0.049708 0.599416 0.700292 Sr\n0.200292 0.900583 0.549709 Sr\n0.299708 0.099416 0.950292 Sr\n0.875000 0.250000 0.875000 Hf\n0.625000 0.750000 0.625001 Hf\n0.375000 0.250000 0.375000 Hf\n0.125000 0.750000 0.125000 Hf\n0.955761 0.411521 0.794240 O\n0.794240 0.088478 0.955761 O\n0.544240 0.588478 0.705761 O\n0.705760 0.911521 0.544240 O\n0.326892 0.750000 0.423109 O\n0.173108 0.250000 0.673109 O\n0.826892 0.750000 0.326892 O\n0.076892 0.250000 0.173108 O\n0.205760 0.911521 0.044240 O\n0.455760 0.411521 0.294240 O\n0.044239 0.588478 0.205761 O\n0.294240 0.088478 0.455761 O\n0.923108 0.750000 0.826893 O\n0.576892 0.250000 0.076892 O\n0.673108 0.250000 0.576892 O\n0.423108 0.750000 0.923109 O\n",
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"formula_full": "Sr8 Hf4 O16",
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{
"id": "jvasp-49914",
"created_at": "2022-09-04T14:37:06.415527Z",
"updated_at": "2022-09-04T14:37:06.415557Z",
"structure_string": "Sr8 Hf4 O16\n1.0\n5.826187 0.000000 0.000000\n0.000000 5.827043 0.000000\n0.000000 0.000000 12.640673\nSr Hf O\n8 4 16\ndirect\n0.987300 0.987276 0.648265 Sr\n0.512701 0.987276 0.148265 Sr\n0.987300 0.512723 0.148265 Sr\n0.512701 0.512723 0.648265 Sr\n0.487299 0.487277 0.351735 Sr\n0.012701 0.487277 0.851735 Sr\n0.487299 0.012723 0.851735 Sr\n0.012701 0.012723 0.351735 Sr\n0.000000 0.500000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.025583 O\n0.750000 0.250000 0.000087 O\n0.250000 0.250000 0.525583 O\n0.750000 0.250000 0.500086 O\n0.042603 0.457148 0.336530 O\n0.457397 0.457148 0.836530 O\n0.957397 0.542851 0.663470 O\n0.957397 0.957148 0.163470 O\n0.250000 0.750000 0.499913 O\n0.250000 0.750000 0.999913 O\n0.750000 0.750000 0.474417 O\n0.750000 0.750000 0.974416 O\n0.042603 0.042852 0.836530 O\n0.542603 0.957148 0.663470 O\n0.542603 0.542851 0.163470 O\n0.457397 0.042852 0.336530 O\n",
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"formula_full": "Sr8 Hf4 O16",
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{
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"structure_string": "Sr2 Hf1 O4\n1.0\n-0.000000 4.095311 -0.000000\n2.047656 -2.047656 6.401400\n4.095311 -0.000000 -0.000000\nSr Hf O\n2 1 4\ndirect\n0.647404 0.294807 0.352596 Sr\n0.352595 0.705193 0.647405 Sr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.835871 0.671745 0.164129 O\n0.164128 0.328255 0.835872 O\n",
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},
{
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"created_at": "2022-09-04T14:36:53.939836Z",
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"structure_string": "Sr2 Hf1 Ti1 O6\n1.0\n4.896655 -0.006996 2.846223\n1.620657 4.620687 2.846223\n-0.004834 -0.003422 5.701954\nSr Hf Ti O\n2 1 1 6\ndirect\n0.750578 0.750577 0.245384 Sr\n0.249424 0.249423 0.754613 Sr\n0.000000 0.000000 0.499999 Hf\n0.500001 0.500000 -0.000001 Ti\n0.285968 0.774981 0.213164 O\n0.225020 0.714034 0.786832 O\n0.714035 0.225019 0.786833 O\n0.774982 0.285967 0.213164 O\n0.256223 0.256222 0.301579 O\n0.743780 0.743778 0.698418 O\n",
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"volume": 129.17212614502446,
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"formula_full": "Sr2 Hf1 Ti1 O6",
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{
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"created_at": "2022-09-04T14:37:06.731501Z",
"updated_at": "2022-09-04T14:37:06.731521Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n4.771843 -0.000000 2.755025\n1.590614 4.498937 2.755025\n-0.000000 -0.000000 5.510049\nSr Hg Ge\n2 1 1\ndirect\n0.749999 0.750001 0.749999 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.499999 Ge\n",
"nsites": 4,
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"formula_full": "Sr2 Hg1 Ge1",
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},
{
"id": "jvasp-76773",
"created_at": "2022-09-04T14:37:15.874971Z",
"updated_at": "2022-09-04T14:37:15.874990Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n-12.685315 4.593605 0.176523\n-8.964875 1.554592 2.872466\n-7.373737 6.053579 0.117853\nSr Hg Ge\n2 1 1\ndirect\n0.750177 -0.000127 -0.000125 Sr\n0.249825 0.000126 0.000122 Sr\n0.500001 -0.000001 -0.000001 Hg\n0.000000 -0.000000 0.000000 Ge\n",
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}
]
}