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{
"id": "jvasp-114972",
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{
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{
"id": "jvasp-36735",
"created_at": "2022-09-04T14:38:00.297274Z",
"updated_at": "2022-09-04T14:38:00.297284Z",
"structure_string": "Rb2 Sr2 Si2 H2 O8\n1.0\n0.000000 5.813139 -0.039090\n7.840167 0.000000 0.000000\n0.000000 -2.868135 -5.106850\nRb Sr Si H O\n2 2 2 2 8\ndirect\n0.359128 0.231445 0.718891 Rb\n0.640871 0.731445 0.281109 Rb\n0.010241 0.486746 0.006376 Sr\n0.989759 0.986746 0.993624 Sr\n0.687779 0.245461 0.374870 Si\n0.312220 0.745461 0.625130 Si\n0.507023 0.004609 0.461548 H\n0.492977 0.504609 0.538452 H\n0.853380 0.237713 0.214855 O\n0.146619 0.737713 0.785145 O\n0.876210 0.240896 0.692914 O\n0.123790 0.740896 0.307087 O\n0.474601 0.403032 0.286840 O\n0.525399 0.903032 0.713160 O\n0.489675 0.067100 0.299940 O\n0.510324 0.567100 0.700060 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.06848473675741251,
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{
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"created_at": "2022-09-04T14:35:48.489590Z",
"updated_at": "2022-09-04T14:35:48.489614Z",
"structure_string": "Rb1 Sr1 O3\n1.0\n4.790614 0.000000 -0.000000\n-0.000000 4.790614 0.000000\n0.000000 0.000000 4.790614\nRb Sr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"formula_full": "Rb1 Sr1 O3",
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{
"id": "jvasp-40360",
"created_at": "2022-09-04T14:37:45.272954Z",
"updated_at": "2022-09-04T14:37:45.272981Z",
"structure_string": "Rb1 Sr1 C1 O3 F1\n1.0\n5.314466 0.000004 0.000000\n-2.657229 4.602321 0.000000\n0.000000 0.000000 4.799705\nRb Sr C O F\n1 1 1 3 1\ndirect\n0.333309 0.666634 0.000000 Rb\n0.666669 0.333340 0.499999 Sr\n0.000011 0.000020 0.499999 C\n0.141174 0.282320 0.499999 O\n0.141138 0.858857 0.499999 O\n0.717718 0.858883 0.499999 O\n0.666687 0.333345 0.000000 F\n",
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"formula_full": "Rb1 Sr1 C1 O3 F1",
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{
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"created_at": "2022-09-04T14:36:32.676474Z",
"updated_at": "2022-09-04T14:36:32.676503Z",
"structure_string": "Rb1 Sr1 C1 O3 F1\n1.0\n5.314175 0.000000 0.000000\n-2.657088 4.602211 0.000000\n-0.000000 0.000000 4.799016\nRb Sr C O F\n1 1 1 3 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.000000 0.000000 0.500000 Sr\n0.333332 0.666667 0.500000 C\n0.474485 0.948970 0.500000 O\n0.474485 0.525514 0.500000 O\n0.051029 0.525514 0.500000 O\n0.000000 0.000000 0.000000 F\n",
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{
"id": "jvasp-101661",
"created_at": "2022-09-04T14:36:40.072150Z",
"updated_at": "2022-09-04T14:36:40.072170Z",
"structure_string": "Rb2 Sr2 Cl6\n1.0\n7.658005 -0.000000 0.000000\n0.000000 7.658005 0.000000\n-0.000000 -0.000000 5.704926\nRb Sr Cl\n2 2 6\ndirect\n0.500000 0.000000 -0.000000 Rb\n-0.000000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 -0.000000 Cl\n0.669125 0.169125 0.500000 Cl\n0.330875 0.830874 0.500000 Cl\n0.169125 0.330875 0.500000 Cl\n0.830874 0.669125 0.500000 Cl\n",
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"volume": 334.56561677603975,
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"formula_full": "Rb2 Sr2 Cl6",
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"spacegroup": 127
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{
"id": "jvasp-107502",
"created_at": "2022-09-04T14:36:44.778197Z",
"updated_at": "2022-09-04T14:36:44.778216Z",
"structure_string": "Rb1 Sr1 Cl3\n1.0\n5.618110 -0.000000 0.000000\n0.000000 5.618110 0.000000\n-0.000000 -0.000000 5.618110\nRb Sr Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 -0.000000 Cl\n-0.000000 0.500000 -0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
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},
{
"id": "jvasp-36994",
"created_at": "2022-09-04T14:38:05.705514Z",
"updated_at": "2022-09-04T14:38:05.705532Z",
"structure_string": "Rb2 Sr2 Cl6\n1.0\n-6.828583 -0.000000 3.499570\n-4.311036 6.347560 -0.000000\n-6.750524 0.053016 -4.760084\nRb Sr Cl\n2 2 6\ndirect\n0.862058 0.862058 0.413826 Rb\n0.137943 0.137943 0.586172 Rb\n0.656135 0.656135 0.031594 Sr\n0.343864 0.343865 0.968406 Sr\n0.473366 0.703138 0.765462 Cl\n0.058033 0.473367 0.765463 Cl\n0.703138 0.058033 0.765463 Cl\n0.526634 0.296864 0.234535 Cl\n0.296863 0.941966 0.234537 Cl\n0.941967 0.526634 0.234537 Cl\n",
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{
"id": "jvasp-36881",
"created_at": "2022-09-04T14:38:07.825674Z",
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"structure_string": "Rb1 Sr1 Cl3\n1.0\n5.659151 -0.039776 0.000064\n-0.053572 5.649762 0.003776\n0.000504 -0.003198 5.622008\nRb Sr Cl\n1 1 3\ndirect\n-0.067963 0.037686 -0.000572 Rb\n0.512652 0.500556 0.500002 Sr\n0.556992 0.513810 0.000040 Cl\n0.016721 0.458718 0.500514 Cl\n0.541596 -0.000771 0.500016 Cl\n",
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{
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"structure_string": "Rb1 Sr3\n1.0\n6.156973 0.000000 -0.000000\n0.000000 6.156973 -0.000000\n0.000000 0.000000 6.156973\nRb Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
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{
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"created_at": "2022-09-04T14:37:27.531807Z",
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"structure_string": "Rb1 Sr3\n1.0\n-0.000000 4.888298 4.888298\n4.888298 -0.000000 4.888298\n4.888298 4.888298 0.000000\nRb Sr\n1 3\ndirect\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n",
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}