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{
"id": "jvasp-8261",
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"structure_string": "Ca3 Fe2 N4\n1.0\n4.828606 0.000638 -0.006284\n-0.000790 5.893702 -0.020202\n-2.407214 -2.929145 5.104746\nCa Fe N\n3 2 4\ndirect\n0.305394 0.333613 0.612511 Ca\n0.682248 0.710438 0.366243 Ca\n0.993812 0.287520 0.989363 Ca\n0.609439 0.117393 0.220629 Fe\n0.378171 0.886121 0.758092 Fe\n0.774309 0.221483 0.550348 N\n0.213329 0.660431 0.428394 N\n0.493824 0.781309 0.989389 N\n0.493797 0.239477 0.989332 N\n",
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"structure_string": "Na12 Mn2 O8\n1.0\n7.484752 0.000000 0.000000\n0.000000 7.484752 0.000000\n0.000000 0.000000 5.448262\nNa Mn O\n12 2 8\ndirect\n0.787844 0.787844 0.000000 Na\n0.712155 0.712155 0.500000 Na\n0.000000 0.500000 0.083177 Na\n0.000000 0.500000 0.583177 Na\n0.712155 0.287844 0.500000 Na\n0.287844 0.287844 0.500000 Na\n0.287844 0.712155 0.500000 Na\n0.787844 0.212156 0.000000 Na\n0.500000 0.000000 0.416823 Na\n0.500000 0.000000 0.916823 Na\n0.212156 0.787844 0.000000 Na\n0.212156 0.212156 0.000000 Na\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.747027 0.500000 0.815956 O\n0.500000 0.747027 0.184043 O\n0.247027 0.000000 0.684043 O\n0.752972 0.000000 0.684043 O\n0.500000 0.252973 0.184043 O\n0.000000 0.247027 0.315956 O\n0.252973 0.500000 0.815956 O\n0.000000 0.752972 0.315956 O\n",
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{
"id": "jvasp-103621",
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"structure_string": "Na1 Li2 Sn1\n1.0\n4.214785 -0.000000 2.433407\n1.404928 3.973738 2.433407\n-0.000000 -0.000000 4.866815\nNa Li Sn\n1 2 1\ndirect\n0.500001 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Li\n0.750001 0.750000 0.749999 Li\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-11028",
"created_at": "2022-09-04T14:37:09.205925Z",
"updated_at": "2022-09-04T14:37:09.205934Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n2.899159 0.001017 0.000382\n1.447083 7.558175 -0.031397\n1.447614 2.632365 7.807724\nCa Mn O\n2 4 8\ndirect\n0.609223 0.934208 0.843779 Ca\n0.392379 0.034100 0.177687 Ca\n0.415040 0.354292 0.812249 Mn\n0.838645 0.774453 0.544728 Mn\n0.162966 0.193872 0.476729 Mn\n0.586582 0.614002 0.209204 Mn\n0.132933 0.446975 0.283563 O\n0.575291 0.226027 0.619912 O\n0.426313 0.742301 0.401537 O\n0.868700 0.521318 0.737875 O\n0.942627 0.174997 0.936377 O\n0.234971 0.865519 0.661008 O\n0.058992 0.793291 0.085083 O\n0.766636 0.102816 0.360438 O\n",
"nsites": 14,
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"formula_full": "Ca2 Mn4 O8",
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{
"id": "jvasp-52121",
"created_at": "2022-09-04T14:37:09.212214Z",
"updated_at": "2022-09-04T14:37:09.212245Z",
"structure_string": "Mn4 Ni2 O8\n1.0\n5.055869 0.000000 2.919007\n1.685290 4.766719 2.919007\n0.000000 0.000000 5.838014\nMn Ni O\n4 2 8\ndirect\n0.500000 -0.000000 0.499999 Mn\n0.999999 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Mn\n0.125000 0.124999 0.125000 Ni\n0.875000 0.874999 0.875000 Ni\n0.739029 0.739028 0.739030 O\n0.260972 0.260970 0.717087 O\n0.260971 0.717087 0.260971 O\n0.717089 0.260970 0.260970 O\n0.739029 0.282913 0.739028 O\n0.282912 0.739028 0.739029 O\n0.260972 0.260970 0.260971 O\n0.739029 0.739028 0.282913 O\n",
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{
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"created_at": "2022-09-04T14:37:09.214811Z",
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"structure_string": "Zn2 P2 O7\n1.0\n4.482865 0.021696 -0.735628\n-1.077300 5.073976 -1.195933\n0.017080 -0.007463 5.323128\nZn P O\n2 2 7\ndirect\n0.500002 0.691198 0.308801 Zn\n0.500000 0.308803 0.691199 Zn\n0.092231 0.784575 0.784574 P\n0.907771 0.215427 0.215426 P\n0.276708 0.930400 0.624844 O\n0.723294 0.375158 0.069602 O\n0.723294 0.069602 0.375157 O\n0.276708 0.624843 0.930399 O\n0.213600 0.381529 0.381529 O\n-0.000000 0.000000 0.000001 O\n0.786402 0.618472 0.618472 O\n",
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{
"id": "jvasp-78740",
"created_at": "2022-09-04T14:37:09.217059Z",
"updated_at": "2022-09-04T14:37:09.217078Z",
"structure_string": "Li1 Al1 Ge1\n1.0\n3.612921 -0.000000 2.085921\n1.204307 3.406295 2.085921\n-0.000000 -0.000000 4.171842\nLi Al Ge\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500001 0.499999 Ge\n",
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{
"id": "jvasp-50896",
"created_at": "2022-09-04T14:37:09.219949Z",
"updated_at": "2022-09-04T14:37:09.219972Z",
"structure_string": "Rb6 Sb2 O6\n1.0\n3.938156 5.459462 0.779258\n-3.938156 5.459462 -0.779258\n-0.236216 0.000000 7.684903\nRb Sb O\n6 2 6\ndirect\n0.316104 0.683896 0.648789 Rb\n0.807628 0.807628 0.500000 Rb\n0.192371 0.192372 0.500000 Rb\n0.208242 0.208242 0.000000 Rb\n0.791757 0.791757 -0.000000 Rb\n0.683896 0.316104 0.351211 Rb\n0.280998 0.719002 0.165210 Sb\n0.719001 0.280998 0.834790 Sb\n0.966479 0.033520 0.760284 O\n0.212710 0.511298 0.301951 O\n0.488702 0.787289 0.301951 O\n0.511297 0.212711 0.698049 O\n0.787289 0.488703 0.698049 O\n0.033520 0.966480 0.239716 O\n",
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{
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"updated_at": "2022-09-04T14:37:09.229214Z",
"structure_string": "B8 Pb2 O14\n1.0\n4.270756 0.000000 0.000000\n0.000000 4.480544 0.000000\n0.000000 0.000000 10.908051\nB Pb O\n8 2 14\ndirect\n0.997887 0.176646 0.248530 B\n0.497887 0.823353 0.251470 B\n0.023735 0.674285 0.378133 B\n0.523736 0.325714 0.121867 B\n0.523736 0.325714 0.878133 B\n0.023735 0.674285 0.621867 B\n0.497887 0.823353 0.748530 B\n0.997887 0.176646 0.751470 B\n0.526048 0.198797 0.500000 Pb\n0.026047 0.801202 0.000000 Pb\n0.417141 0.235094 0.000000 O\n0.917141 0.764905 0.500000 O\n0.451269 0.639402 0.855617 O\n0.951270 0.360597 0.644383 O\n0.852130 0.871475 0.280303 O\n0.352130 0.128524 0.219697 O\n0.356287 0.730166 0.363243 O\n0.852130 0.871475 0.719697 O\n0.856288 0.269833 0.863243 O\n0.856288 0.269833 0.136756 O\n0.356287 0.730166 0.636756 O\n0.451269 0.639402 0.144383 O\n0.352130 0.128524 0.780303 O\n0.951270 0.360597 0.355617 O\n",
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{
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"structure_string": "Ta1 Os1 Pb1\n1.0\n0.000000 3.200979 3.200979\n3.200979 0.000000 3.200979\n3.200979 3.200979 -0.000000\nTa Os Pb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Pb\n",
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{
"id": "jvasp-51169",
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"updated_at": "2022-09-04T14:37:09.215672Z",
"structure_string": "Mg2 Nb1 Fe1\n1.0\n0.000000 3.197478 3.197478\n3.197478 0.000000 3.197478\n3.197478 3.197478 0.000000\nMg Nb Fe\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n",
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"structure_string": "Co2 C2 O6\n1.0\n4.209630 -0.029740 3.698982\n1.655797 3.870428 3.698982\n-0.045419 -0.029740 5.603694\nCo C O\n2 2 6\ndirect\n0.500000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.749999 0.750002 0.749999 C\n0.249999 0.250001 0.250000 C\n0.749999 0.471872 0.028129 O\n0.471871 0.028129 0.749999 O\n0.971870 0.250001 0.528128 O\n0.028130 0.750001 0.471869 O\n0.250001 0.528131 0.971867 O\n0.528130 0.971871 0.249999 O\n",
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}