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{
"id": "jvasp-34322",
"created_at": "2022-09-04T14:36:36.156152Z",
"updated_at": "2022-09-04T14:36:36.156178Z",
"structure_string": "Li4 Be2 Si2 O8\n1.0\n4.898332 0.002455 0.000000\n-0.050152 4.898076 -0.000000\n0.000000 -0.000000 6.108301\nLi Be Si O\n4 2 2 8\ndirect\n0.681546 0.681548 0.000000 Li\n0.803595 0.196406 0.750000 Li\n0.318454 0.318454 0.500000 Li\n0.196405 0.803596 0.250000 Li\n0.679951 0.679952 0.500000 Be\n0.320049 0.320049 0.000000 Be\n0.179482 0.820519 0.750000 Si\n0.820518 0.179483 0.250000 Si\n0.715795 0.343803 0.468415 O\n0.656198 0.284206 0.031585 O\n0.154502 0.219821 0.220311 O\n0.845498 0.780180 0.720311 O\n0.780179 0.845499 0.279689 O\n0.284205 0.656199 0.968415 O\n0.219821 0.154503 0.779689 O\n0.343802 0.715796 0.531585 O\n",
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{
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"structure_string": "Al4 O6\n1.0\n4.849062 -0.000000 -0.000000\n-2.424530 1.399803 4.497827\n2.424530 -4.199410 -0.000000\nAl O\n4 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Al\n0.305630 0.916894 0.305631 Al\n0.694369 0.083107 0.694370 Al\n0.279468 0.775341 0.604090 O\n0.395910 0.224659 0.108217 O\n0.108217 0.224659 0.720532 O\n0.891783 0.775341 0.279469 O\n0.604089 0.775341 0.891784 O\n0.720531 0.224659 0.395911 O\n",
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{
"id": "jvasp-97869",
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"updated_at": "2022-09-04T14:36:09.753349Z",
"structure_string": "Bi4 B12 O24\n1.0\n4.279900 -0.005041 0.000000\n-0.144957 7.278994 0.000000\n0.000000 0.000000 11.760028\nBi B O\n4 12 24\ndirect\n0.828061 0.627531 0.615674 Bi\n0.171938 0.872469 0.115674 Bi\n0.828062 0.127531 0.884326 Bi\n0.171938 0.372469 0.384326 Bi\n0.321333 0.792596 0.837165 B\n0.688726 0.068329 0.375651 B\n0.803256 0.629937 0.906900 B\n0.311273 0.431671 0.875651 B\n0.321333 0.292597 0.662835 B\n0.803257 0.129937 0.593101 B\n0.196743 0.870062 0.406900 B\n0.678666 0.707403 0.337165 B\n0.688726 0.568329 0.124349 B\n0.678667 0.207403 0.162835 B\n0.196743 0.370062 0.093101 B\n0.311273 0.931671 0.624349 B\n0.195339 0.819072 0.528092 O\n0.195339 0.319072 0.971908 O\n0.238114 0.940395 0.918233 O\n0.788286 0.179754 0.279004 O\n0.211714 0.820245 0.720997 O\n0.804660 0.680928 0.028092 O\n0.339738 0.728147 0.338576 O\n0.788285 0.679754 0.220996 O\n0.353631 0.543992 0.116503 O\n0.151194 0.615569 0.873966 O\n0.848805 0.884430 0.373966 O\n0.761885 0.059604 0.081767 O\n0.804661 0.180928 0.471908 O\n0.238114 0.440395 0.581767 O\n0.660261 0.271852 0.661424 O\n0.646368 0.956007 0.616503 O\n0.353631 0.043993 0.383498 O\n0.211714 0.320246 0.779004 O\n0.848805 0.384431 0.126034 O\n0.761885 0.559604 0.418233 O\n0.646369 0.456007 0.883498 O\n0.660261 0.771852 0.838576 O\n0.339738 0.228148 0.161424 O\n0.151195 0.115569 0.626034 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 6.117354225965243,
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"formula_full": "Bi4 B12 O24",
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{
"id": "jvasp-37010",
"created_at": "2022-09-04T14:38:01.579618Z",
"updated_at": "2022-09-04T14:38:01.579643Z",
"structure_string": "Ti1 N1\n1.0\n2.636069 0.000000 -0.000000\n-0.000000 2.636069 0.000000\n0.000000 0.000000 2.636069\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 N\n",
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{
"id": "jvasp-48878",
"created_at": "2022-09-04T14:36:20.976226Z",
"updated_at": "2022-09-04T14:36:20.976250Z",
"structure_string": "Li7 Ni1 O4 F2\n1.0\n5.399724 0.024358 -0.001948\n-1.953829 4.985487 0.036055\n-2.579698 -1.156188 4.746840\nLi Ni O F\n7 1 4 2\ndirect\n0.590252 0.127533 0.311272 Li\n0.751217 0.520618 0.701540 Li\n0.115275 0.197779 0.639276 Li\n0.313029 0.651512 0.984244 Li\n0.901104 0.764745 0.358651 Li\n0.169864 0.455568 0.297695 Li\n0.459137 0.933553 0.682952 Li\n0.013414 0.000283 0.002577 Ni\n0.856201 0.218227 0.763621 O\n0.874208 0.083574 0.227345 O\n0.124307 0.878308 0.767267 O\n0.207982 0.813494 0.254542 O\n0.543589 0.471912 0.289454 F\n0.414984 0.543870 0.711533 F\n",
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},
{
"id": "jvasp-42218",
"created_at": "2022-09-04T14:36:56.153578Z",
"updated_at": "2022-09-04T14:36:56.153615Z",
"structure_string": "Fe6 O10 F2\n1.0\n4.375482 -0.030235 0.011622\n0.201769 5.248420 0.006152\n0.157104 0.559259 7.176649\nFe O F\n6 10 2\ndirect\n0.522978 0.678953 0.839903 Fe\n0.477021 0.321048 0.160096 Fe\n0.499999 0.000001 0.500000 Fe\n0.986105 0.150408 0.830471 Fe\n-0.000000 0.500000 0.500000 Fe\n0.013894 0.849593 0.169528 Fe\n0.200015 0.127230 0.062738 O\n0.193795 0.796831 0.396663 O\n0.296395 0.629961 0.062770 O\n0.296959 0.297227 0.395958 O\n0.304599 0.959727 0.731579 O\n0.695400 0.040274 0.268421 O\n0.703603 0.370040 0.937230 O\n0.799984 0.872771 0.937261 O\n0.806204 0.203171 0.603337 O\n0.703040 0.702774 0.604041 O\n0.792653 0.538115 0.268334 F\n0.207345 0.461886 0.731665 F\n",
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"formula_full": "Fe6 O10 F2",
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"formula_anonymous": "AB3C5",
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"spacegroup": 2
},
{
"id": "jvasp-46741",
"created_at": "2022-09-04T14:38:00.248048Z",
"updated_at": "2022-09-04T14:38:00.248076Z",
"structure_string": "Li4 Mn2 V2 O8\n1.0\n5.993303 -0.427543 0.026304\n-0.061954 6.008215 0.026304\n-2.953064 -2.778469 4.045033\nLi Mn V O\n4 2 2 8\ndirect\n0.000000 0.500000 0.499999 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000001 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.500000 -0.000001 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.230144 0.769870 0.014401 O\n0.238029 0.244142 0.491147 O\n0.230130 0.769855 0.485596 O\n0.755857 0.761971 0.008850 O\n0.244142 0.238029 -0.008852 O\n0.769869 0.230144 0.514401 O\n0.761970 0.755858 0.508850 O\n0.769855 0.230130 0.985596 O\n",
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],
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"volume": 146.49312324962594,
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"formula_full": "Li4 Mn2 V2 O8",
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},
{
"id": "jvasp-112166",
"created_at": "2022-09-04T14:38:43.380966Z",
"updated_at": "2022-09-04T14:38:43.380992Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.979400 0.039162 0.281456\n-0.843888 3.869634 -0.193331\n0.671732 -0.060153 7.762560\nCd H C O\n1 4 4 4\ndirect\n0.809636 0.265858 0.261407 Cd\n0.527550 0.081858 0.665318 H\n0.066680 -0.017719 0.709304 H\n0.552565 0.549323 0.813498 H\n0.091696 0.449865 0.857521 H\n0.282759 0.653794 0.516814 C\n0.301206 0.872191 0.684095 C\n0.318080 0.659483 0.838716 C\n0.336673 0.877881 0.005992 C\n0.522543 0.724611 0.387047 O\n0.027199 0.402465 0.511672 O\n0.592308 0.129160 0.011085 O\n0.096987 0.807100 0.135803 O\n",
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"formula_full": "Cd1 H4 C4 O4",
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},
{
"id": "jvasp-92189",
"created_at": "2022-09-04T14:35:51.636212Z",
"updated_at": "2022-09-04T14:35:51.636238Z",
"structure_string": "Mg3 C1 O4\n1.0\n4.183978 0.000000 -0.000000\n-0.000000 4.183978 0.000000\n0.000000 -0.000000 4.183978\nMg C O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-98300",
"created_at": "2022-09-04T14:37:52.390297Z",
"updated_at": "2022-09-04T14:37:52.390323Z",
"structure_string": "H20 I4 O24\n1.0\n4.976296 0.000000 -1.990501\n0.000000 18.354046 0.000000\n-0.081397 0.000000 4.843950\nH I O\n20 4 24\ndirect\n0.151856 0.497143 0.811743 H\n0.142005 0.282606 0.283686 H\n0.357996 0.782607 0.216315 H\n0.857996 0.717394 0.716315 H\n0.872257 0.131576 0.484703 H\n0.372257 0.368424 0.984703 H\n0.127743 0.868424 0.515297 H\n0.627744 0.631576 0.015298 H\n0.412215 0.198186 0.099244 H\n0.642005 0.217394 0.783686 H\n0.912215 0.301814 0.599244 H\n0.087785 0.698186 0.400757 H\n0.154455 0.057558 0.001664 H\n0.654455 0.442442 0.501664 H\n0.845546 0.942442 -0.001663 H\n0.345545 0.557559 0.498337 H\n0.348144 -0.002857 0.688257 H\n0.848145 0.502857 0.188258 H\n0.651856 0.002857 0.311743 H\n0.587785 0.801814 0.900757 H\n0.829371 0.378337 0.983781 I\n0.329371 0.121663 0.483781 I\n0.170629 0.621663 0.016220 I\n0.670629 0.878337 0.516220 I\n0.448187 0.824544 0.158903 O\n0.948187 0.675456 0.658903 O\n0.031527 0.167294 0.535977 O\n0.531528 0.332706 0.035977 O\n0.968473 0.832707 0.464023 O\n0.468472 0.667294 0.964023 O\n0.334901 0.208467 0.254455 O\n0.834901 0.291533 0.754456 O\n0.665099 0.791533 0.745545 O\n0.165099 0.708467 0.245545 O\n0.071528 0.069712 0.150038 O\n0.571528 0.430289 0.650038 O\n0.428472 0.569712 0.349962 O\n0.623421 0.081409 0.434910 O\n0.123420 0.418591 0.934910 O\n0.376579 0.918591 0.565090 O\n0.876580 0.581409 0.065091 O\n0.311227 0.047157 0.756967 O\n0.811228 0.452843 0.256967 O\n0.688773 0.952844 0.243034 O\n0.188772 0.547157 0.743033 O\n0.051813 0.324544 0.341097 O\n0.928472 0.930289 0.849963 O\n0.551813 0.175456 0.841098 O\n",
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],
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"formula_full": "H20 I4 O24",
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},
{
"id": "jvasp-42792",
"created_at": "2022-09-04T14:35:45.387018Z",
"updated_at": "2022-09-04T14:35:45.387034Z",
"structure_string": "Li3 Cr3 Fe1 O8\n1.0\n2.826465 1.643819 4.736856\n5.755699 -0.022725 -0.016113\n2.826465 5.013949 -0.016113\nLi Cr Fe O\n3 3 1 8\ndirect\n0.500004 0.999999 1.000000 Li\n1.000001 0.999999 0.500003 Li\n1.000001 0.500003 0.999999 Li\n0.500001 0.999999 0.500001 Cr\n0.500001 0.500000 0.999999 Cr\n1.000000 0.500000 0.500000 Cr\n0.500000 0.499999 0.499999 Fe\n0.257225 0.257224 0.257224 O\n0.718369 0.265808 0.265807 O\n0.265808 0.265808 0.718368 O\n0.265808 0.718368 0.265808 O\n0.734194 0.281633 0.734193 O\n0.734194 0.734193 0.281633 O\n0.281634 0.734193 0.734193 O\n0.742775 0.742773 0.742773 O\n",
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],
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"density": 4.3614524428888135,
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"volume": 137.3111166566392,
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"formula_full": "Li3 Cr3 Fe1 O8",
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{
"id": "jvasp-118627",
"created_at": "2022-09-04T14:38:53.339228Z",
"updated_at": "2022-09-04T14:38:53.339258Z",
"structure_string": "Li1 O3\n1.0\n2.737723 -0.114957 0.534342\n-0.172867 -5.222087 -0.172366\n-0.932763 -2.386261 -2.803775\nLi O\n1 3\ndirect\n-0.030944 0.089233 0.894645 Li\n-0.031764 0.584776 0.892875 O\n0.195041 0.506726 0.349465 O\n0.749837 0.953595 0.456259 O\n",
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}
]
}