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{
"id": "jvasp-121348",
"created_at": "2022-09-04T14:38:54.588611Z",
"updated_at": "2022-09-04T14:38:54.588647Z",
"structure_string": "K1 Ba3 Bi4 O12\n1.0\n6.157646 -0.000000 0.000000\n0.000000 6.208003 0.000000\n-0.000000 -0.000000 8.699477\nK Ba Bi O\n1 3 4 12\ndirect\n0.500000 0.008616 0.500000 K\n-0.000000 0.495978 -0.000000 Ba\n0.500000 0.996179 -0.000000 Ba\n-0.000000 0.493366 0.500000 Ba\n-0.000000 0.998000 0.252200 Bi\n0.500000 0.500767 0.747936 Bi\n-0.000000 0.998000 0.747800 Bi\n0.500000 0.500767 0.252064 Bi\n0.752084 0.746370 0.788451 O\n0.242623 0.258626 0.273963 O\n0.242623 0.258626 0.726037 O\n0.752084 0.746370 0.211549 O\n0.247917 0.746370 0.788451 O\n0.500000 0.560257 0.500000 O\n0.500000 0.440253 -0.000000 O\n-0.000000 0.935321 0.500000 O\n0.247917 0.746370 0.211549 O\n-0.000000 0.052509 -0.000000 O\n0.757377 0.258626 0.273963 O\n0.757377 0.258626 0.726037 O\n",
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{
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"updated_at": "2022-09-04T14:37:53.009773Z",
"structure_string": "K2 Ce2 Se8\n1.0\n6.350017 0.000000 0.000000\n0.000000 6.350017 -0.000000\n0.000000 -0.000000 8.247087\nK Ce Se\n2 2 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.639243 0.860758 0.213142 Se\n0.139243 0.639243 0.213142 Se\n0.860758 0.360757 0.213142 Se\n0.639243 0.139243 0.786858 Se\n0.360757 0.860758 0.786858 Se\n0.360757 0.139243 0.213142 Se\n0.860758 0.639243 0.786858 Se\n0.139243 0.360757 0.786858 Se\n",
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{
"id": "jvasp-22277",
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"updated_at": "2022-09-04T14:37:53.148820Z",
"structure_string": "Tb4 Si10 Ru6\n1.0\n5.316168 -0.000000 1.924769\n2.061620 7.568599 2.609804\n0.013346 -0.009530 8.267090\nTb Si Ru\n4 10 6\ndirect\n0.635486 0.096789 0.632240 Tb\n0.864515 0.367760 0.903211 Tb\n0.135486 0.632240 0.096788 Tb\n0.364515 0.903211 0.367760 Tb\n0.095461 0.236157 0.572923 Si\n0.904540 0.763843 0.427077 Si\n0.250000 0.000000 0.000000 Si\n0.458751 0.291249 0.291249 Si\n0.041249 0.708751 0.708751 Si\n0.541250 0.708751 0.708751 Si\n0.958752 0.291249 0.291249 Si\n0.750000 0.000000 0.000000 Si\n0.404540 0.427077 0.763843 Si\n0.595461 0.572923 0.236157 Si\n0.854277 0.052039 0.239408 Ru\n0.750001 0.500000 0.500000 Ru\n0.354276 0.239409 0.052039 Ru\n0.645725 0.760592 0.947960 Ru\n0.145725 0.947961 0.760591 Ru\n0.250000 0.500000 0.500000 Ru\n",
"nsites": 20,
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"volume": 332.5341510947528,
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"formula_full": "Tb4 Si10 Ru6",
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{
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"created_at": "2022-09-04T14:36:38.554894Z",
"updated_at": "2022-09-04T14:36:38.554922Z",
"structure_string": "Si6 O12\n1.0\n3.684019 -6.380908 -0.000000\n3.684019 6.380908 0.000000\n0.000000 0.000000 7.072515\nSi O\n6 12\ndirect\n0.766943 0.533885 0.250000 Si\n0.233057 0.466116 0.750000 Si\n0.766943 0.233057 0.583333 Si\n0.533885 0.766943 0.416667 Si\n0.233057 0.766943 0.083333 Si\n0.466116 0.233057 0.916666 Si\n0.612396 0.387604 0.083333 O\n0.683061 -0.000000 0.500000 O\n0.316939 0.316939 0.833332 O\n0.612396 0.224793 0.750000 O\n0.387604 0.612396 0.583333 O\n0.387604 0.775207 0.250000 O\n-0.000000 0.683061 0.166667 O\n0.775207 0.387604 0.416667 O\n0.316939 -0.000000 0.000000 O\n0.224793 0.612396 0.916666 O\n-0.000000 0.316939 0.666667 O\n0.683061 0.683061 0.333333 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:38:32.311168Z",
"updated_at": "2022-09-04T14:38:32.311192Z",
"structure_string": "Pb4 Br4 Cl4\n1.0\n4.602543 0.000000 0.000000\n0.000000 7.809562 0.000000\n0.000000 0.000000 9.250005\nPb Br Cl\n4 4 4\ndirect\n0.250000 0.251740 0.604079 Pb\n0.750000 0.748260 0.395920 Pb\n0.250000 0.751740 0.895920 Pb\n0.750000 0.248260 0.104080 Pb\n0.750000 0.972972 0.668164 Br\n0.250000 0.527027 0.168164 Br\n0.750000 0.472972 0.831835 Br\n0.250000 0.027027 0.331835 Br\n0.750000 0.858385 0.069583 Cl\n0.250000 0.641615 0.569583 Cl\n0.750000 0.358385 0.430417 Cl\n0.250000 0.141615 0.930416 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:10.455511Z",
"structure_string": "Y4 Cu4 S8\n1.0\n3.957572 -0.000000 0.000000\n0.000000 6.265273 0.000000\n0.000000 0.000000 13.408953\nY Cu S\n4 4 8\ndirect\n0.250000 0.499601 0.133727 Y\n0.750000 0.500398 0.866273 Y\n0.750000 -0.000399 0.366273 Y\n0.250000 0.000399 0.633727 Y\n0.250000 0.122257 0.953495 Cu\n0.750000 0.622257 0.546505 Cu\n0.750000 0.877742 0.046505 Cu\n0.250000 0.377742 0.453495 Cu\n0.250000 0.260997 0.794391 S\n0.750000 0.739003 0.205609 S\n0.750000 0.760996 0.705609 S\n0.250000 0.239003 0.294391 S\n0.250000 0.744888 0.959788 S\n0.250000 0.755111 0.459788 S\n0.750000 0.244889 0.540212 S\n0.750000 0.255111 0.040212 S\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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},
{
"id": "jvasp-57817",
"created_at": "2022-09-04T14:38:32.915557Z",
"updated_at": "2022-09-04T14:38:32.915579Z",
"structure_string": "Ag2 Bi4 S6 Cl2\n1.0\n0.000000 7.816090 0.019791\n4.026303 0.000000 0.000000\n0.000000 -2.449080 -10.570288\nAg Bi S Cl\n2 4 6 2\ndirect\n0.941323 0.250000 0.591720 Ag\n0.058677 0.749999 0.408280 Ag\n0.462156 0.250000 0.656699 Bi\n0.537844 0.749999 0.343301 Bi\n0.187169 0.749999 0.925231 Bi\n0.812831 0.250000 0.074770 Bi\n0.956583 0.250000 0.851334 S\n0.683721 0.749999 0.587375 S\n0.316279 0.250000 0.412626 S\n0.043418 0.749999 0.148667 S\n0.199273 0.749999 0.661033 S\n0.800727 0.250000 0.338967 S\n0.406409 0.250000 0.101377 Cl\n0.593592 0.749999 0.898623 Cl\n",
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{
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"created_at": "2022-09-04T14:37:16.389559Z",
"updated_at": "2022-09-04T14:37:16.389580Z",
"structure_string": "Na6 Si3 F18\n1.0\n4.620854 -8.003552 -0.000000\n4.620854 8.003552 0.000000\n-0.000000 0.000000 4.494578\nNa Si F\n6 3 18\ndirect\n0.656637 0.656637 0.000000 Na\n0.343362 -0.000000 0.000000 Na\n-0.000000 0.343362 0.000000 Na\n0.343362 0.343362 0.000000 Na\n0.656637 -0.000000 0.000000 Na\n-0.000000 0.656637 0.000000 Na\n0.333333 0.666667 0.497081 Si\n0.000000 0.000000 0.000000 Si\n0.666667 0.333333 0.502920 Si\n0.089186 0.910813 0.786000 F\n0.244837 0.755162 0.279087 F\n0.910813 0.089186 0.214001 F\n0.178371 0.089186 0.214001 F\n0.910813 0.821628 0.214001 F\n0.089186 0.178371 0.786000 F\n0.821628 0.910813 0.786000 F\n0.755162 0.510325 0.720913 F\n0.156245 0.578123 0.716084 F\n0.755162 0.244837 0.720913 F\n0.421876 0.578123 0.716084 F\n0.510325 0.755162 0.279087 F\n0.421876 0.843754 0.716084 F\n0.578123 0.156245 0.283916 F\n0.843754 0.421876 0.283916 F\n0.578123 0.421876 0.283916 F\n0.489674 0.244837 0.720913 F\n0.244837 0.489674 0.279087 F\n",
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{
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"created_at": "2022-09-04T14:35:49.560925Z",
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"structure_string": "V4 Cd2 P4 O20\n1.0\n6.629686 0.040839 -1.477299\n-3.406443 5.687754 -1.477299\n-0.001115 -0.001982 8.783906\nV Cd P O\n4 2 4 20\ndirect\n0.088395 0.363835 0.737122 V\n0.613836 0.838393 0.237122 V\n0.626714 0.351272 0.262879 V\n0.601273 0.376713 0.762879 V\n0.998826 0.998824 -0.000000 Cd\n0.248825 0.748824 0.500000 Cd\n0.785900 0.786214 0.583764 P\n0.036214 0.535898 0.083764 P\n0.202451 0.202135 0.416236 P\n0.452136 0.952450 0.916236 P\n0.278945 0.751691 0.193411 O\n0.965152 0.986484 0.297830 O\n0.637687 0.917531 0.029067 O\n0.575814 0.571732 0.164488 O\n0.917322 0.438654 0.202170 O\n0.382951 0.097197 0.034467 O\n0.598485 0.812730 0.465533 O\n0.407246 0.411325 0.835513 O\n0.335533 0.308280 0.306589 O\n0.688656 0.667321 0.702170 O\n0.062731 0.348484 0.965534 O\n0.821734 0.325813 0.664488 O\n0.558281 0.085533 0.806589 O\n0.167532 0.387686 0.529068 O\n0.001692 0.028944 0.693412 O\n0.858620 0.638464 0.470933 O\n0.888466 0.608619 0.970933 O\n0.347198 0.132951 0.534467 O\n0.661326 0.157245 0.335512 O\n0.236486 0.715151 0.797831 O\n",
"nsites": 30,
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{
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"created_at": "2022-09-04T14:38:36.861464Z",
"updated_at": "2022-09-04T14:38:36.861484Z",
"structure_string": "V4 Cd2 P4 O20\n1.0\n8.574641 -0.015232 4.878680\n6.405753 5.697762 1.913549\n0.001541 -0.004059 6.792228\nV Cd P O\n4 2 4 20\ndirect\n0.636170 0.626689 0.088414 V\n0.161586 0.601273 0.613830 V\n0.648727 0.088414 0.626689 V\n0.623311 0.613830 0.601273 V\n0.001208 0.998792 0.998793 Cd\n0.251208 0.248792 0.248792 Cd\n0.213786 0.202450 0.785900 P\n0.464100 0.452136 0.036215 P\n0.797864 0.785899 0.202451 P\n0.047549 0.036214 0.452136 P\n0.248305 0.558289 0.278937 O\n0.013515 0.688649 0.965155 O\n0.082464 0.888460 0.637688 O\n0.428252 0.407261 0.575811 O\n0.561350 0.236484 0.917320 O\n0.902785 0.062752 0.382954 O\n0.187248 0.347215 0.598492 O\n0.588674 0.575811 0.407262 O\n0.691710 0.001695 0.335532 O\n0.332681 0.965154 0.688650 O\n0.651508 0.382953 0.062752 O\n0.674189 0.661325 0.821748 O\n0.914468 0.278937 0.558290 O\n0.612312 0.858611 0.167537 O\n0.971063 0.335532 0.001695 O\n0.361540 0.167536 0.858611 O\n0.391389 0.637687 0.888460 O\n0.867046 0.598492 0.347215 O\n0.842738 0.821748 0.661326 O\n0.284845 0.917319 0.236485 O\n",
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},
{
"id": "jvasp-27047",
"created_at": "2022-09-04T14:38:33.559461Z",
"updated_at": "2022-09-04T14:38:33.559487Z",
"structure_string": "Fe12 Mo12 N4\n1.0\n6.733550 0.000000 3.887617\n2.244516 6.348452 3.887617\n-0.000000 -0.000000 7.775234\nFe Mo N\n12 12 4\ndirect\n0.298003 0.605991 0.298003 Fe\n0.701998 0.701997 0.701997 Fe\n0.298003 0.298003 0.605991 Fe\n0.605991 0.298003 0.298003 Fe\n0.701998 0.394009 0.701997 Fe\n0.394009 0.701997 0.701997 Fe\n0.298003 0.298003 0.298003 Fe\n0.701998 0.701997 0.394009 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.671622 0.078378 0.671622 Mo\n0.328378 0.328378 0.921622 Mo\n0.328378 0.921622 0.328378 Mo\n0.921623 0.921622 0.328378 Mo\n0.921623 0.328378 0.921622 Mo\n0.078378 0.671622 0.078378 Mo\n0.671622 0.078378 0.078378 Mo\n0.328378 0.921622 0.921622 Mo\n0.671623 0.671622 0.078378 Mo\n0.921623 0.328378 0.328378 Mo\n0.078378 0.671622 0.671622 Mo\n0.078378 0.078378 0.671622 Mo\n0.000000 0.500000 0.000000 N\n0.500000 -0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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],
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}
]
}