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{
"id": "jvasp-59285",
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"structure_string": "Mg8 Si8 O24\n1.0\n5.362356 -0.000000 0.000000\n-0.000000 8.773154 0.000000\n0.000000 0.000000 9.342601\nMg Si O\n8 8 24\ndirect\n0.250000 0.904301 0.000000 Mg\n0.750001 0.595699 0.500000 Mg\n0.750001 0.095699 0.000000 Mg\n0.250000 0.404301 0.500000 Mg\n0.750001 0.736915 0.000000 Mg\n0.250000 0.763084 0.500000 Mg\n0.250000 0.263085 0.000000 Mg\n0.750001 0.236915 0.500000 Mg\n0.933683 0.408399 0.207776 Si\n0.433682 0.091601 0.292224 Si\n0.066318 0.091601 0.707776 Si\n0.566318 0.408399 0.792224 Si\n0.566318 0.908398 0.707776 Si\n0.433682 0.591601 0.207776 Si\n0.933683 0.908398 0.292224 Si\n0.066318 0.591601 0.792224 Si\n0.069851 0.750730 0.877399 O\n0.578605 0.406002 0.617804 O\n0.078604 0.093998 0.882196 O\n0.078604 0.593998 0.617804 O\n0.578605 0.906001 0.882196 O\n0.421396 0.593998 0.382196 O\n0.921397 0.906001 0.117804 O\n0.930149 0.749269 0.377399 O\n0.430149 0.750730 0.122601 O\n0.569852 0.749269 0.622601 O\n0.069851 0.250730 0.622601 O\n0.288411 0.973779 0.650088 O\n0.430149 0.250730 0.377399 O\n0.930149 0.249270 0.122601 O\n0.711589 0.026220 0.349911 O\n0.211589 0.473779 0.150088 O\n0.788412 0.026220 0.650088 O\n0.288411 0.473779 0.849911 O\n0.421396 0.093998 0.117804 O\n0.788412 0.526220 0.849911 O\n0.211589 0.973779 0.349911 O\n0.711589 0.526220 0.150088 O\n0.569852 0.249270 0.877399 O\n0.921397 0.406002 0.382196 O\n",
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{
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"structure_string": "Ba1 Hf1 S3\n1.0\n4.993493 -0.000241 -0.001670\n0.000352 4.993428 -0.000360\n0.002138 -0.000006 4.993435\nBa Hf S\n1 1 3\ndirect\n0.987967 0.000016 0.002049 Ba\n0.488065 0.500020 0.502047 Hf\n0.488001 -0.000002 0.501873 S\n0.988020 0.500040 0.502050 S\n0.487945 0.499927 0.001987 S\n",
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{
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"created_at": "2022-09-04T14:38:00.889314Z",
"updated_at": "2022-09-04T14:38:00.889342Z",
"structure_string": "Ca2 Tl2 Cl6\n1.0\n0.000000 4.066374 0.002171\n10.343655 0.000000 0.000000\n0.000000 -2.029470 -6.685443\nCa Tl Cl\n2 2 6\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.743336 0.250000 0.486650 Tl\n0.256663 0.750000 0.513350 Tl\n0.633780 0.546613 0.267592 Cl\n0.366219 0.046613 0.732408 Cl\n0.633780 0.953388 0.267592 Cl\n0.366219 0.453387 0.732408 Cl\n0.061650 0.250000 0.123288 Cl\n0.938349 0.750000 0.876712 Cl\n",
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"volume": 281.15197899300637,
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{
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"updated_at": "2022-09-04T14:38:00.885390Z",
"structure_string": "Hg4 P4 Se12\n1.0\n6.547098 -0.000000 0.986293\n3.273550 5.785958 0.493147\n0.027675 0.000000 13.825192\nHg P Se\n4 4 12\ndirect\n0.768136 0.813732 0.064686 Hg\n0.231864 0.186268 0.935314 Hg\n0.581869 0.186268 0.564686 Hg\n0.418132 0.813732 0.435314 Hg\n0.529971 0.532783 0.915946 P\n0.062753 0.467218 0.415946 P\n0.470030 0.467218 0.084054 P\n0.937248 0.532783 0.584054 P\n0.171750 0.393232 0.112893 Se\n0.564983 0.606768 0.612893 Se\n0.828250 0.606768 0.887107 Se\n0.035828 0.163727 0.375961 Se\n0.964173 0.836274 0.624039 Se\n0.199555 0.836274 0.875961 Se\n0.387758 0.781722 0.159963 Se\n0.830521 0.781722 0.340037 Se\n0.612243 0.218279 0.840036 Se\n0.169480 0.218279 0.659963 Se\n0.435018 0.393232 0.387107 Se\n0.800446 0.163727 0.124039 Se\n",
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{
"id": "jvasp-36964",
"created_at": "2022-09-04T14:38:03.896798Z",
"updated_at": "2022-09-04T14:38:03.896830Z",
"structure_string": "Rb2 Pb2 Br6\n1.0\n0.000000 4.441303 0.003186\n11.329881 0.000000 0.000000\n0.000000 -2.215194 -7.138474\nRb Pb Br\n2 2 6\ndirect\n0.750105 0.009551 0.500204 Rb\n0.249895 0.509551 0.499795 Rb\n0.999987 0.759544 -0.000014 Pb\n0.000012 0.259544 0.000013 Pb\n0.642164 0.707683 0.284354 Br\n0.357835 0.207683 0.715645 Br\n0.642197 0.311382 0.284396 Br\n0.357802 0.811382 0.715603 Br\n0.068663 0.009541 0.137277 Br\n0.931336 0.509541 0.862721 Br\n",
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{
"id": "jvasp-38192",
"created_at": "2022-09-04T14:37:58.626341Z",
"updated_at": "2022-09-04T14:37:58.626356Z",
"structure_string": "K4 Be4 H12\n1.0\n0.000000 6.739348 0.019420\n5.426285 0.000000 0.000000\n0.000000 -2.457220 -8.676073\nK Be H\n4 4 12\ndirect\n0.230248 0.249972 0.201101 K\n0.769753 0.749972 0.298899 K\n0.230248 0.250027 0.701100 K\n0.769752 0.750027 0.798899 K\n0.752623 0.250045 0.000493 Be\n0.247377 0.750045 0.499506 Be\n0.752623 0.249955 0.500493 Be\n0.247377 0.749954 0.999506 Be\n0.626225 0.249874 0.847847 H\n0.373775 0.749873 0.652152 H\n0.826336 0.026425 0.572358 H\n0.826539 0.473301 0.572515 H\n0.173461 0.526698 0.427485 H\n0.826336 0.473574 0.072358 H\n0.626225 0.250126 0.347847 H\n0.373775 0.750126 0.152153 H\n0.173664 0.526425 0.927642 H\n0.826539 0.026698 0.072515 H\n0.173665 0.973574 0.427642 H\n0.173461 0.973301 0.927485 H\n",
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{
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"created_at": "2022-09-04T14:38:02.712189Z",
"updated_at": "2022-09-04T14:38:02.712218Z",
"structure_string": "Mg4 Co4 O12\n1.0\n0.000000 5.121338 -0.000687\n4.883812 0.000000 0.000000\n0.000000 -0.000933 -7.158146\nMg Co O\n4 4 12\ndirect\n0.928180 0.020004 0.250001 Mg\n0.428180 0.479996 0.250001 Mg\n0.571821 0.520004 0.750000 Mg\n0.071821 0.979996 0.750000 Mg\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.808034 0.815035 0.933225 O\n0.308035 0.684964 0.566775 O\n0.308034 0.684965 0.933225 O\n0.053955 0.630204 0.250000 O\n0.946046 0.369796 0.750001 O\n0.191966 0.184964 0.433226 O\n0.691966 0.315036 0.433226 O\n0.191967 0.184965 0.066776 O\n0.808035 0.815036 0.566775 O\n0.446046 0.130204 0.750001 O\n0.691967 0.315035 0.066776 O\n0.553955 0.869795 0.250000 O\n",
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{
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"structure_string": "K1 Co1 F3\n1.0\n4.062081 -0.000000 0.000000\n0.000000 4.062081 0.000000\n-0.000000 -0.000000 4.062081\nK Co F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 F\n0.500000 0.000000 0.500000 F\n-0.000000 0.500000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:37:58.338334Z",
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"structure_string": "Rb4 Ca4 I12\n1.0\n4.637942 -0.000000 0.000000\n-0.000000 10.354578 0.000000\n0.000000 0.000000 17.060312\nRb Ca I\n4 4 12\ndirect\n0.750000 0.071631 0.323689 Rb\n0.250000 0.928369 0.676311 Rb\n0.750000 0.571632 0.176311 Rb\n0.250000 0.428369 0.823689 Rb\n0.250000 0.167056 0.056142 Ca\n0.750000 0.832944 0.943858 Ca\n0.250000 0.667056 0.443858 Ca\n0.750000 0.332944 0.556142 Ca\n0.750000 0.704570 0.783735 I\n0.250000 0.295431 0.216265 I\n0.750000 0.476344 0.392740 I\n0.250000 0.523656 0.607260 I\n0.750000 0.976344 0.107260 I\n0.250000 0.662510 0.010649 I\n0.250000 0.162510 0.489351 I\n0.750000 0.837490 0.510648 I\n0.250000 0.795431 0.283735 I\n0.750000 0.337490 0.989351 I\n0.250000 0.023656 0.892740 I\n0.750000 0.204569 0.716265 I\n",
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{
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{
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"created_at": "2022-09-04T14:37:45.522202Z",
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"structure_string": "Ba2 Ti2 S6\n1.0\n3.385535 -5.863918 0.000000\n3.385535 5.863918 -0.000000\n0.000000 -0.000000 5.799496\nBa Ti S\n2 2 6\ndirect\n0.333332 0.666666 0.750000 Ba\n0.666666 0.333332 0.250000 Ba\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.833278 0.166721 0.750000 S\n0.666557 0.833278 0.250000 S\n0.166721 0.333441 0.250000 S\n0.833278 0.666557 0.750000 S\n0.166721 0.833278 0.250000 S\n0.333441 0.166721 0.750000 S\n",
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}