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{
"id": "jvasp-103051",
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"structure_string": "Sr1 La1 Cu1 O4\n1.0\n3.706135 0.012945 -5.773090\n-0.308100 3.693329 -5.773090\n-0.011869 -0.012945 6.860311\nSr La Cu O\n1 1 1 4\ndirect\n0.639532 0.639532 0.000002 Sr\n0.360305 0.360305 0.000001 La\n0.002932 0.002932 0.000000 Cu\n0.994671 0.494670 0.500002 O\n0.494670 0.994670 0.500001 O\n0.834985 0.834985 0.000002 O\n0.172910 0.172910 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:36:13.701772Z",
"structure_string": "Na4 Sr2 P8 O24\n1.0\n5.000683 0.000000 0.000000\n-0.000000 9.889241 -0.000000\n-0.000000 0.000000 9.889241\nNa Sr P O\n4 2 8 24\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.250000 0.250000 Sr\n0.500000 0.750000 0.750000 Sr\n0.000000 0.963214 0.250000 P\n0.000000 0.463214 0.750000 P\n0.000000 0.750000 0.463214 P\n0.000000 0.750000 0.036786 P\n0.000000 0.036786 0.750000 P\n0.000000 0.250000 0.536786 P\n0.000000 0.536786 0.250000 P\n0.000000 0.250000 0.963214 P\n0.771563 0.312878 0.037449 O\n0.771563 0.037449 0.187122 O\n0.771563 0.462551 0.312878 O\n0.771563 0.812878 0.962551 O\n0.228437 0.687122 0.962551 O\n0.771563 0.962551 0.687122 O\n0.771563 0.687122 0.537448 O\n0.228437 0.812878 0.537448 O\n0.771563 0.187122 0.462551 O\n0.771563 0.537448 0.812878 O\n0.228437 0.312878 0.462551 O\n0.867101 0.640115 0.140115 O\n0.228437 0.462551 0.187122 O\n0.228437 0.187122 0.037449 O\n0.867101 0.140115 0.859885 O\n0.867101 0.359885 0.640115 O\n0.867101 0.859885 0.359885 O\n0.228437 0.962551 0.812878 O\n0.132899 0.859885 0.140115 O\n0.132899 0.359885 0.859885 O\n0.132899 0.140115 0.640115 O\n0.132899 0.640115 0.359885 O\n0.228437 0.037449 0.312878 O\n0.228437 0.537448 0.687122 O\n",
"nsites": 38,
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{
"id": "jvasp-98577",
"created_at": "2022-09-04T14:36:11.626287Z",
"updated_at": "2022-09-04T14:36:11.626308Z",
"structure_string": "Nd12 Se4 Br4 N8\n1.0\n4.107489 0.000000 0.000000\n-0.000000 12.647301 0.000000\n0.000000 0.000000 13.280070\nNd Se Br N\n12 4 4 8\ndirect\n0.250000 0.889893 0.410918 Nd\n0.750000 0.384727 0.477716 Nd\n0.250000 0.615273 0.522284 Nd\n0.750000 0.844789 0.802111 Nd\n0.750000 0.389893 0.089082 Nd\n0.250000 0.155211 0.197889 Nd\n0.250000 0.344789 0.697889 Nd\n0.750000 0.115273 0.977716 Nd\n0.750000 0.110107 0.589082 Nd\n0.250000 0.610107 0.910918 Nd\n0.750000 0.655211 0.302111 Nd\n0.250000 0.884727 0.022284 Nd\n0.250000 0.353086 0.934948 Se\n0.750000 0.853086 0.565052 Se\n0.250000 0.146914 0.434948 Se\n0.750000 0.646914 0.065052 Se\n0.250000 0.441073 0.256890 Br\n0.750000 0.941073 0.243110 Br\n0.750000 0.558927 0.743110 Br\n0.250000 0.058927 0.756890 Br\n0.750000 0.933247 0.947079 N\n0.250000 0.433247 0.552921 N\n0.750000 0.227823 0.143041 N\n0.250000 0.772177 0.856959 N\n0.250000 0.066753 0.052921 N\n0.750000 0.272177 0.643041 N\n0.250000 0.727823 0.356959 N\n0.750000 0.566753 0.447079 N\n",
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"formula_full": "Nd12 Se4 Br4 N8",
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{
"id": "jvasp-42276",
"created_at": "2022-09-04T14:36:08.594466Z",
"updated_at": "2022-09-04T14:36:08.594492Z",
"structure_string": "Li4 Mn2 Si2 O8\n1.0\n3.865872 3.683457 0.000000\n-3.865872 3.683457 0.000000\n0.000000 0.000000 6.254132\nLi Mn Si O\n4 2 2 8\ndirect\n0.311807 0.688193 0.500000 Li\n0.180635 0.180635 0.750000 Li\n0.819366 0.819366 0.250000 Li\n0.688193 0.311807 0.000000 Li\n0.322621 0.677380 0.000000 Mn\n0.677380 0.322621 0.500000 Mn\n0.173377 0.173377 0.250000 Si\n0.826624 0.826624 0.750000 Si\n0.203541 0.866336 0.255893 O\n0.133664 0.796460 0.744106 O\n0.308662 0.293110 0.032417 O\n0.706891 0.691339 0.967583 O\n0.293110 0.308662 0.467583 O\n0.691339 0.706891 0.532416 O\n0.796460 0.133664 0.755893 O\n0.866336 0.203541 0.244107 O\n",
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"formula_full": "Li4 Mn2 Si2 O8",
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{
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"created_at": "2022-09-04T14:36:13.772981Z",
"updated_at": "2022-09-04T14:36:13.773002Z",
"structure_string": "Cu2 Sn1 Hg1 Te4\n1.0\n6.314310 -0.000000 0.000000\n-0.000000 6.314310 0.000000\n-3.157156 -3.157156 6.226754\nCu Sn Hg Te\n2 1 1 4\ndirect\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.891083 0.891083 0.286079 Te\n0.394997 0.394997 0.286079 Te\n0.108916 0.605002 0.713920 Te\n0.605002 0.108916 0.713920 Te\n",
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},
{
"id": "jvasp-99723",
"created_at": "2022-09-04T14:36:30.956294Z",
"updated_at": "2022-09-04T14:36:30.956318Z",
"structure_string": "Rb2 Ta1 Hg1 F6\n1.0\n5.956313 -0.000000 3.438879\n1.985438 5.615666 3.438879\n-0.000000 -0.000000 6.877758\nRb Ta Hg F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Hg\n0.794979 0.205021 0.205021 F\n0.205020 0.205021 0.794980 F\n0.205020 0.794980 0.794980 F\n0.205020 0.794980 0.205020 F\n0.794979 0.205021 0.794980 F\n0.794979 0.794980 0.205021 F\n",
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"formula_full": "Rb2 Ta1 Hg1 F6",
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{
"id": "jvasp-95038",
"created_at": "2022-09-04T14:36:10.721957Z",
"updated_at": "2022-09-04T14:36:10.721983Z",
"structure_string": "Sr2 B1 Br1 N2\n1.0\n-2.057078 -3.562962 0.000000\n2.057078 -3.562962 0.000000\n-0.000000 -2.375308 8.883991\nSr B Br N\n2 1 1 2\ndirect\n0.248629 0.248629 0.254111 Sr\n0.751371 0.751371 0.745889 Sr\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Br\n0.449509 0.449509 0.651472 N\n0.550491 0.550491 0.348528 N\n",
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],
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"volume": 130.22670603056625,
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"formula_full": "Sr2 B1 Br1 N2",
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{
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"created_at": "2022-09-04T14:36:14.431412Z",
"updated_at": "2022-09-04T14:36:14.431451Z",
"structure_string": "Rb2 Nd1 Ag1 Br6\n1.0\n6.932557 -0.000000 4.002514\n2.310852 6.536077 4.002514\n-0.000000 -0.000000 8.005027\nRb Nd Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.752279 0.247722 0.247721 Br\n0.247721 0.247722 0.752279 Br\n0.247721 0.752279 0.752278 Br\n0.247721 0.752279 0.247721 Br\n0.752279 0.247722 0.752278 Br\n0.752279 0.752279 0.247721 Br\n",
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{
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"created_at": "2022-09-04T14:36:11.572612Z",
"updated_at": "2022-09-04T14:36:11.572640Z",
"structure_string": "K2 Ce2 Ge2 Se8\n1.0\n6.570765 0.000000 -2.134624\n0.000000 7.066268 0.000000\n-0.033853 0.000000 8.929054\nK Ce Ge Se\n2 2 2 8\ndirect\n0.248512 0.718208 0.938551 K\n0.751489 0.218208 0.061450 K\n0.732195 0.213034 0.555228 Ce\n0.267806 0.713035 0.444772 Ce\n0.716829 0.746383 0.315710 Ge\n0.283172 0.246383 0.684290 Ge\n0.917849 0.750958 0.144522 Se\n0.082152 0.250957 0.855478 Se\n0.492755 0.968883 0.719784 Se\n0.927575 0.805867 0.581424 Se\n0.072426 0.305867 0.418576 Se\n0.463459 0.991959 0.265963 Se\n0.536542 0.491959 0.734037 Se\n0.507246 0.468883 0.280216 Se\n",
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],
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"volume": 414.07236678270596,
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"formula_full": "K2 Ce2 Ge2 Se8",
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{
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"created_at": "2022-09-04T14:36:30.894401Z",
"updated_at": "2022-09-04T14:36:30.894420Z",
"structure_string": "Rb2 Ag1 Bi1 F6\n1.0\n5.687352 -0.000000 3.283594\n1.895784 5.362086 3.283594\n-0.000000 -0.000000 6.567188\nRb Ag Bi F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.756804 0.243196 0.243195 F\n0.243195 0.243196 0.756804 F\n0.243195 0.756805 0.756804 F\n0.243195 0.756805 0.243195 F\n0.756804 0.243196 0.756804 F\n0.756803 0.756805 0.243195 F\n",
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"formula_full": "Rb2 Ag1 Bi1 F6",
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{
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"created_at": "2022-09-04T14:36:39.261664Z",
"updated_at": "2022-09-04T14:36:39.261689Z",
"structure_string": "Nd1 Al3 B4 O12\n1.0\n5.773030 -0.003831 -1.467945\n-1.887029 5.455916 -1.467945\n-0.002730 -0.003831 5.956739\nNd Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.556147 0.443854 Al\n0.443854 0.000000 0.556146 Al\n0.556146 0.443854 -0.000001 Al\n0.058501 0.500001 0.941499 B\n0.500000 0.500001 0.499999 B\n0.941499 0.058501 0.499999 B\n0.500000 0.941500 0.058500 B\n0.774153 0.027788 0.620819 O\n0.620819 0.774154 0.027786 O\n0.027788 0.620820 0.774153 O\n0.351603 0.648398 0.499999 O\n0.648397 0.500001 0.351602 O\n0.089938 0.910063 0.499999 O\n0.500000 0.089938 0.910062 O\n0.910062 0.500001 0.089937 O\n0.972213 0.225848 0.379180 O\n0.379181 0.972213 0.225846 O\n0.225847 0.379181 0.972212 O\n0.500000 0.351604 0.648396 O\n",
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]
}