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{
"id": "jvasp-39857",
"created_at": "2022-09-04T14:37:42.539399Z",
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"structure_string": "Li1 Si1 Ir2\n1.0\n0.000000 2.913661 2.913661\n2.913661 0.000000 2.913661\n2.913661 2.913661 0.000000\nLi Si Ir\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Li\n0.749999 0.749999 0.749999 Si\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 Ir\n",
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{
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{
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"structure_string": "Y2 Mn4 O8\n1.0\n5.492388 0.032215 3.075741\n1.817617 5.183014 3.075741\n0.045155 0.032215 6.294798\nY Mn O\n2 4 8\ndirect\n0.617173 0.617173 0.617172 Y\n0.382827 0.382828 0.382827 Y\n0.000000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000001 0.000000 0.500000 Mn\n0.197327 0.757688 0.757688 O\n0.242311 0.242313 0.802673 O\n0.242313 0.802673 0.242312 O\n0.246152 0.246152 0.246152 O\n0.757688 0.757688 0.197326 O\n0.802673 0.242313 0.242312 O\n0.757687 0.197328 0.757688 O\n0.753848 0.753849 0.753848 O\n",
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"formula_full": "Y2 Mn4 O8",
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{
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"created_at": "2022-09-04T14:36:30.662273Z",
"updated_at": "2022-09-04T14:36:30.662298Z",
"structure_string": "Tl2 C2 N2 O2\n1.0\n5.225962 -0.045922 -2.272973\n-2.253789 4.706099 -2.291782\n0.035462 0.045922 5.698757\nTl C N O\n2 2 2 2\ndirect\n0.235710 -0.000000 0.235710 Tl\n0.735710 0.500000 0.235711 Tl\n0.005490 0.249229 0.754720 C\n0.505490 0.750771 0.756263 C\n0.143300 0.116666 0.759966 N\n0.643300 0.883335 0.026634 N\n0.865498 0.386136 0.751636 O\n0.365498 0.613864 0.479364 O\n",
"nsites": 8,
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"volume": 140.73312554343156,
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"formula_full": "Tl2 C2 N2 O2",
"formula_reduced": "TlCNO",
"formula_anonymous": "ABCD",
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"spacegroup": 46
},
{
"id": "jvasp-58485",
"created_at": "2022-09-04T14:38:19.175582Z",
"updated_at": "2022-09-04T14:38:19.175603Z",
"structure_string": "Mg1 Cr4 S8\n1.0\n5.830049 -0.193932 4.110788\n2.026857 5.469820 4.110788\n-0.288804 -0.193932 7.127739\nMg Cr S\n1 4 8\ndirect\n0.500001 0.500001 0.499999 Mg\n0.500002 0.999999 0.500001 Cr\n1.000000 0.500001 0.500001 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.758334 0.257118 0.758333 S\n0.241667 0.241667 0.742883 S\n0.241667 0.742884 0.241666 S\n0.742882 0.241667 0.241667 S\n0.258937 0.258938 0.258937 S\n0.741064 0.741064 0.741063 S\n0.257119 0.758334 0.758333 S\n0.758335 0.758334 0.257117 S\n",
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"volume": 239.85648755082607,
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"formula_full": "Mg1 Cr4 S8",
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{
"id": "jvasp-51182",
"created_at": "2022-09-04T14:37:03.051979Z",
"updated_at": "2022-09-04T14:37:03.051997Z",
"structure_string": "Zr1 Tc1 Cl1\n1.0\n0.000000 2.990703 2.990703\n2.990703 -0.000000 2.990703\n2.990703 2.990703 0.000000\nZr Tc Cl\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Cl\n",
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{
"id": "jvasp-78524",
"created_at": "2022-09-04T14:37:18.369677Z",
"updated_at": "2022-09-04T14:37:18.369696Z",
"structure_string": "Mg1 Nb2\n1.0\n2.618891 1.377106 -0.685379\n2.618891 -1.377106 -0.685379\n0.054913 0.000000 -7.951167\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.171642 0.171642 0.335286 Nb\n0.828357 0.828357 0.664715 Nb\n",
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"spacegroup": 12
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{
"id": "jvasp-37608",
"created_at": "2022-09-04T14:38:01.754905Z",
"updated_at": "2022-09-04T14:38:01.754930Z",
"structure_string": "Ti3 Ni1\n1.0\n3.921685 -0.000000 0.000000\n0.000000 3.921685 0.000000\n0.000000 0.000000 3.921685\nTi Ni\n3 1\ndirect\n0.000000 0.499999 0.499999 Ti\n0.499999 0.000000 0.499999 Ti\n0.499999 0.499999 0.000000 Ti\n0.000000 0.000000 0.000000 Ni\n",
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"volume": 60.3139985460701,
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{
"id": "jvasp-65160",
"created_at": "2022-09-04T14:36:07.808232Z",
"updated_at": "2022-09-04T14:36:07.808252Z",
"structure_string": "Be1 Co4 Se1\n1.0\n-0.000000 3.349047 3.349047\n3.349047 0.000000 3.349047\n3.349047 3.349047 0.000000\nBe Co Se\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123369 0.625544 0.625544 Co\n0.625544 0.625544 0.625544 Co\n0.625544 0.123369 0.625544 Co\n0.625544 0.625544 0.123369 Co\n0.250000 0.250000 0.250000 Se\n",
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{
"id": "jvasp-10814",
"created_at": "2022-09-04T14:37:12.146198Z",
"updated_at": "2022-09-04T14:37:12.146214Z",
"structure_string": "Mg1 Cr4 S8\n1.0\n6.920053 0.010069 0.007120\n3.468747 6.008044 0.000000\n3.468747 2.002681 5.664440\nMg Cr S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.000001 0.500000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.254191 0.257257 0.257257 S\n0.254191 0.257257 0.731295 S\n0.254191 0.731294 0.257257 S\n0.729823 0.256726 0.256726 S\n0.270178 0.743274 0.743274 S\n0.745810 0.742742 0.268705 S\n0.745810 0.268705 0.742743 S\n0.745810 0.742742 0.742743 S\n",
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"formula_anonymous": "AB4C8",
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{
"id": "jvasp-117034",
"created_at": "2022-09-04T14:38:47.867978Z",
"updated_at": "2022-09-04T14:38:47.868003Z",
"structure_string": "Ca1 Co3 Si4 O12\n1.0\n5.082729 -0.031816 1.117593\n1.318214 6.479087 0.599072\n-0.049940 0.041874 6.638609\nCa Co Si O\n1 3 4 12\ndirect\n0.750002 0.700396 0.299605 Ca\n0.749998 0.092791 0.907207 Co\n0.250003 0.903204 0.096796 Co\n0.250001 0.242615 0.757388 Co\n0.741538 0.613653 0.795646 Si\n0.758458 0.204349 0.386347 Si\n0.266286 0.384404 0.201343 Si\n0.233712 0.798660 0.615595 Si\n0.006030 0.331444 0.380064 O\n0.493964 0.619940 0.668558 O\n0.329726 0.892672 0.387370 O\n0.170277 0.612628 0.107329 O\n0.632567 0.134373 0.621467 O\n0.852311 0.030041 0.215307 O\n0.143501 0.962079 0.799507 O\n0.356498 0.200493 0.037921 O\n0.521257 0.389635 0.311908 O\n0.647693 0.784685 0.969960 O\n0.867433 0.378534 0.865617 O\n0.978740 0.688097 0.610362 O\n",
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{
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"created_at": "2022-09-04T14:36:05.340529Z",
"updated_at": "2022-09-04T14:36:05.340548Z",
"structure_string": "Li2 Mn3 Co1 O8\n1.0\n0.010826 4.057569 4.057569\n4.057569 0.010826 4.057569\n4.057569 4.057569 0.010826\nLi Mn Co O\n2 3 1 8\ndirect\n0.124773 0.124773 0.124773 Li\n0.875228 0.875228 0.875228 Li\n0.500000 0.000001 0.500000 Mn\n0.500000 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Co\n0.261664 0.261664 0.261664 O\n0.710873 0.262242 0.262242 O\n0.262242 0.710873 0.262242 O\n0.262242 0.262242 0.710873 O\n0.737759 0.737759 0.289127 O\n0.737759 0.289127 0.737759 O\n0.289127 0.737759 0.737759 O\n0.738337 0.738337 0.738337 O\n",
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}