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{
"id": "jvasp-112932",
"created_at": "2022-09-04T14:38:45.378277Z",
"updated_at": "2022-09-04T14:38:45.378300Z",
"structure_string": "Sr1 H16 O10\n1.0\n6.153468 0.026599 -0.180846\n0.001097 6.160391 -0.019546\n-0.079906 0.093402 5.753237\nSr H O\n1 16 10\ndirect\n-0.000022 -0.001919 -0.004872 Sr\n0.079148 0.714870 0.478700 H\n0.256977 0.630626 0.317029 H\n0.947598 0.475130 0.213381 H\n0.529227 -0.012017 0.226984 H\n0.600958 0.742619 0.267409 H\n0.367950 0.291478 0.298426 H\n0.285982 0.096156 0.448716 H\n0.706158 0.399907 0.247423 H\n0.743265 0.365379 0.673104 H\n0.293714 0.596393 0.742560 H\n0.052209 0.521206 0.776170 H\n0.470840 0.008160 0.763529 H\n0.399328 0.253552 0.723094 H\n0.713998 0.900028 0.541846 H\n0.631825 0.704516 0.691819 H\n-0.079127 0.281346 0.511043 H\n0.660319 0.891234 0.230889 O\n0.299328 0.140688 0.283412 O\n0.894689 0.296193 0.678588 O\n0.148661 0.649797 0.795799 O\n0.511186 0.486193 0.626569 O\n0.700444 0.855336 0.707055 O\n0.488929 0.509976 0.363688 O\n0.851078 0.346583 0.193749 O\n0.339827 0.104988 0.759581 O\n0.105514 0.699799 0.311234 O\n",
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{
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"structure_string": "Li8 Co6 O14\n1.0\n10.186223 -0.027924 0.817544\n-9.125665 4.525721 0.817544\n-0.003092 -0.013115 4.925349\nLi Co O\n8 6 14\ndirect\n0.858757 0.141245 0.499999 Li\n0.286620 0.713382 0.499999 Li\n0.713382 0.286620 0.499999 Li\n0.141245 0.858756 0.499999 Li\n0.567466 0.432536 0.499999 Li\n0.000001 0.000001 0.500000 Li\n0.432536 0.567465 0.499999 Li\n0.500000 0.500000 -0.000001 Li\n0.213991 0.786009 -0.000001 Co\n0.786010 0.213991 -0.000001 Co\n0.641295 0.358706 -0.000001 Co\n0.070195 0.929805 -0.000001 Co\n0.929806 0.070195 -0.000001 Co\n0.358706 0.641295 -0.000001 Co\n0.826948 0.674229 0.775362 O\n0.383457 0.097621 0.781406 O\n0.954482 0.524999 0.781937 O\n0.524998 0.954481 0.781937 O\n0.097621 0.383456 0.781406 O\n0.173054 0.325773 0.224636 O\n0.780394 0.780394 0.229032 O\n0.902381 0.616545 0.218592 O\n0.475004 0.045521 0.218061 O\n0.045521 0.475003 0.218061 O\n0.616545 0.902381 0.218592 O\n0.219608 0.219608 0.770966 O\n0.325773 0.173054 0.224636 O\n0.674229 0.826948 0.775362 O\n",
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{
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"updated_at": "2022-09-04T14:36:15.419832Z",
"structure_string": "Li8 Ni4 O12\n1.0\n4.744639 0.000397 1.171953\n2.372097 4.235563 0.585449\n-0.648801 0.001136 9.478982\nLi Ni O\n8 4 12\ndirect\n0.672888 0.164033 0.500221 Li\n0.836961 0.835946 0.000230 Li\n0.999982 0.499993 0.500006 Li\n0.915952 0.168106 0.749999 Li\n0.084048 0.831896 0.250000 Li\n0.163079 0.164035 0.999776 Li\n0.500025 0.499994 0.999993 Li\n0.327094 0.835944 0.499771 Li\n0.417148 0.165695 0.250001 Ni\n0.750330 0.499331 0.250001 Ni\n0.249667 0.500677 0.750001 Ni\n0.582849 0.834314 0.750001 Ni\n0.878596 0.523732 0.862065 O\n0.046111 0.187787 0.363489 O\n0.121403 0.476278 0.137934 O\n0.309493 0.167945 0.638064 O\n0.402310 0.476278 0.362065 O\n0.522571 0.167946 0.861935 O\n0.233908 0.812219 0.863489 O\n0.766093 0.187787 0.136511 O\n0.477431 0.832062 0.138063 O\n0.597685 0.523731 0.637934 O\n0.690499 0.832063 0.361936 O\n0.953884 0.812219 0.636509 O\n",
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{
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"created_at": "2022-09-04T14:37:54.177663Z",
"updated_at": "2022-09-04T14:37:54.177690Z",
"structure_string": "Fe4 H4 O8\n1.0\n0.000000 2.903543 -0.029268\n9.897508 0.000000 0.000000\n0.000000 -0.045717 -4.493083\nFe H O\n4 4 8\ndirect\n-0.000094 0.616686 0.711292 Fe\n0.000093 0.116686 0.288707 Fe\n0.499988 0.345758 0.760119 Fe\n0.500010 0.845758 0.239881 Fe\n0.000083 0.359767 0.234129 H\n-0.000084 0.859767 0.765871 H\n0.499851 0.583937 0.173351 H\n0.500147 0.083937 0.826649 H\n0.000066 0.288539 0.068671 O\n-0.000067 0.788539 0.931328 O\n0.499872 0.678284 0.468136 O\n0.500125 0.178284 0.531864 O\n-0.000058 0.439779 0.545712 O\n0.000057 0.939779 0.454287 O\n0.499911 0.548291 0.960819 O\n0.500087 0.048291 0.039181 O\n",
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{
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"created_at": "2022-09-04T14:37:50.922335Z",
"updated_at": "2022-09-04T14:37:50.922364Z",
"structure_string": "Li4 Ni2 O6\n1.0\n4.820336 0.000527 -0.805924\n-2.607189 4.054406 -0.805924\n-0.006297 -0.011538 4.959707\nLi Ni O\n4 2 6\ndirect\n0.336745 0.663256 0.500001 Li\n-0.000000 -0.000000 0.500000 Li\n0.663256 0.336745 0.500001 Li\n0.500001 0.500001 0.000001 Li\n0.166835 0.833166 0.000001 Ni\n0.833166 0.166836 0.000001 Ni\n0.574878 0.930952 0.223930 O\n0.425123 0.069049 0.776072 O\n0.779576 0.779576 0.772749 O\n0.930952 0.574878 0.223930 O\n0.069049 0.425123 0.776072 O\n0.220425 0.220425 0.227254 O\n",
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"density": 4.134680988432184,
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"formula_full": "Li4 Ni2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-112115",
"created_at": "2022-09-04T14:38:44.235275Z",
"updated_at": "2022-09-04T14:38:44.235300Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.702612 -0.144358 0.575068\n-1.034794 4.402592 -0.628361\n-0.144726 1.296573 12.330036\nCd H C O\n1 12 8 4\ndirect\n0.629415 0.562930 0.179050 Cd\n0.747809 0.852521 0.541566 H\n0.947536 0.714182 0.935931 H\n0.413177 0.737775 0.889125 H\n0.852284 0.783108 0.738319 H\n0.328515 0.819409 0.694719 H\n0.930697 0.306710 0.663349 H\n0.223863 0.884813 0.497505 H\n0.035071 0.241151 0.860565 H\n0.511176 0.273496 0.816556 H\n0.845639 0.388111 0.468923 H\n0.311303 0.411772 0.422120 H\n0.406888 0.342909 0.619714 H\n0.348616 0.013207 0.025051 C\n0.225231 0.879313 0.918219 C\n0.231461 0.108604 0.830725 C\n0.130402 0.951826 0.723657 C\n0.027525 0.017396 0.527358 C\n0.033645 0.246607 0.439848 C\n0.910272 0.112586 0.333031 C\n0.128745 0.174240 0.634405 C\n0.254841 0.836937 0.109492 O\n0.709918 0.837931 0.332173 O\n0.003938 0.288773 0.248572 O\n0.549092 0.287812 0.025939 O\n",
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"formula_full": "Cd1 H12 C8 O4",
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},
{
"id": "jvasp-103932",
"created_at": "2022-09-04T14:36:42.174480Z",
"updated_at": "2022-09-04T14:36:42.174501Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.117495 0.000010 0.270033\n1.990623 4.062914 0.195969\n0.169367 -0.353923 16.404992\nZn H C O\n1 18 11 4\ndirect\n0.083245 0.016706 0.154078 Zn\n0.770312 0.295581 0.499355 H\n0.364230 0.787341 0.419780 H\n0.925948 0.594341 0.893182 H\n0.239418 0.784658 0.732012 H\n0.937907 0.605267 0.732766 H\n0.282265 0.790114 0.574933 H\n0.982638 0.609679 0.573031 H\n0.463338 0.125056 0.494650 H\n0.240616 0.759625 0.890376 H\n0.693940 0.229507 0.953805 H\n0.368119 0.080802 0.961522 H\n0.685172 0.283763 0.803820 H\n0.376572 0.112451 0.806484 H\n0.713131 0.299715 0.651656 H\n0.410153 0.122866 0.651271 H\n0.865040 0.259789 0.350296 H\n0.531373 0.135555 0.333189 H\n0.059945 0.615589 0.412517 H\n0.281793 0.457917 0.045546 C\n0.398544 0.310046 0.960403 C\n0.218326 0.526618 0.888428 C\n0.392979 0.349183 0.807212 C\n0.228129 0.545766 0.731203 C\n0.348057 0.551235 0.417451 C\n0.271955 0.550763 0.574074 C\n0.479936 0.361483 0.496395 C\n0.574742 0.355785 0.342175 C\n0.499392 0.544694 0.262781 C\n0.422528 0.361402 0.651966 C\n0.132079 0.772012 0.052742 O\n0.724589 0.455762 0.200874 O\n0.198306 0.804700 0.261056 O\n0.357673 0.260363 0.105555 O\n",
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{
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"created_at": "2022-09-04T14:37:01.070898Z",
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"structure_string": "Fe2 N2\n1.0\n1.368280 -2.369931 0.000000\n1.368280 2.369931 0.000000\n0.000000 0.000000 4.976092\nFe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
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},
{
"id": "jvasp-16743",
"created_at": "2022-09-04T14:37:52.787132Z",
"updated_at": "2022-09-04T14:37:52.787153Z",
"structure_string": "Fe2 N2\n1.0\n1.368280 -2.369930 0.000000\n1.368280 2.369930 -0.000000\n-0.000000 -0.000000 4.976093\nFe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
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{
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"structure_string": "Li7 Si2 Ni3 O12\n1.0\n4.799199 0.000059 -0.814867\n-2.399525 4.211444 0.407211\n0.004136 -0.000034 9.579287\nLi Si Ni O\n7 2 3 12\ndirect\n0.583293 0.666575 0.750001 Li\n0.340290 0.666691 0.996758 Li\n0.826409 0.666701 0.503243 Li\n0.177597 0.342659 0.502743 Li\n0.665080 0.342676 0.997264 Li\n0.501549 0.990659 0.502718 Li\n0.989113 0.990677 0.997274 Li\n0.916571 0.333139 0.750000 Si\n0.250031 0.000050 0.750001 Si\n0.083356 0.666707 0.250000 Ni\n0.748818 -0.002372 0.249998 Ni\n0.417916 0.335834 0.250002 Ni\n0.618291 0.037641 0.855652 O\n0.461417 0.666664 0.370023 O\n0.705292 0.666749 0.129977 O\n0.177995 0.666593 0.644529 O\n0.988618 0.666616 0.855471 O\n0.049981 0.338063 0.137936 O\n0.788072 0.338005 0.362050 O\n0.378643 -0.004538 0.137961 O\n0.116776 -0.004597 0.362053 O\n0.247252 0.295574 0.855646 O\n0.919352 0.037625 0.644348 O\n0.548320 0.295559 0.644356 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:50.530124Z",
"updated_at": "2022-09-04T14:38:50.530147Z",
"structure_string": "Li7 Co5 O12\n1.0\n6.295973 -0.024855 0.808755\n0.598064 6.267553 0.808755\n-0.008120 -0.007353 4.902482\nLi Co O\n7 5 12\ndirect\n0.081034 0.409719 0.255322 Li\n0.757405 0.757405 0.257112 Li\n0.409719 0.081034 0.255322 Li\n0.590280 0.918965 0.744676 Li\n0.242594 0.242595 0.742886 Li\n0.918965 0.590280 0.744676 Li\n-0.000000 0.000000 0.500000 Li\n0.330037 0.669962 0.499999 Co\n0.499999 0.499999 -0.000001 Co\n0.669962 0.330037 0.499999 Co\n0.835936 0.164063 -0.000001 Co\n0.164063 0.835936 -0.000001 Co\n0.608340 0.608340 0.631619 O\n0.708746 0.064659 0.359573 O\n0.391659 0.391659 0.368379 O\n0.064659 0.708746 0.359573 O\n0.225119 0.558260 0.868077 O\n0.885399 0.885399 0.893556 O\n0.558260 0.225120 0.868077 O\n0.441739 0.774879 0.131921 O\n0.114600 0.114600 0.106442 O\n0.774879 0.441739 0.131921 O\n0.935340 0.291253 0.640425 O\n0.291253 0.935340 0.640425 O\n",
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}
]
}