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{
"id": "jvasp-48092",
"created_at": "2022-09-04T14:35:48.537188Z",
"updated_at": "2022-09-04T14:35:48.537208Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 4.602751 -0.000084\n2.980835 0.000000 0.000000\n0.000000 -0.000563 -13.875224\nMn O F\n6 8 4\ndirect\n0.077276 0.000000 0.825700 Mn\n0.000000 0.000000 0.500000 Mn\n0.922724 0.000000 0.174299 Mn\n0.577273 0.499999 0.674295 Mn\n0.422727 0.499999 0.325705 Mn\n0.500000 0.499999 -0.000000 Mn\n0.176642 0.499999 0.433757 O\n0.260672 0.499999 0.767832 O\n0.323362 0.000000 0.933753 O\n0.239331 0.000000 0.267838 O\n0.760670 0.000000 0.732162 O\n0.739328 0.499999 0.232167 O\n0.823358 0.499999 0.566243 O\n0.676639 0.000000 0.066246 O\n0.349395 0.000000 0.607254 F\n0.849402 0.499999 0.892739 F\n0.650605 0.000000 0.392746 F\n0.150598 0.499999 0.107260 F\n",
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{
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{
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"created_at": "2022-09-04T14:38:52.723991Z",
"updated_at": "2022-09-04T14:38:52.724027Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n5.236409 -0.038112 1.903981\n1.240748 5.128240 2.013646\n0.002181 0.097972 7.500519\nLi V O F\n1 6 7 5\ndirect\n0.630345 0.142578 0.363594 Li\n0.277115 0.322668 0.151430 V\n0.658093 0.666032 0.317495 V\n0.016732 0.988765 0.512824 V\n0.331309 0.341065 0.687646 V\n0.673383 0.699623 0.840531 V\n0.023236 0.962774 0.000313 V\n0.310787 0.673284 0.991768 O\n0.229654 0.207988 0.967240 O\n0.629133 0.044067 0.648809 O\n0.379248 0.983363 0.344878 O\n0.932217 0.341374 0.329415 O\n0.758498 0.778591 0.034675 O\n0.045665 0.646019 0.676733 O\n0.588530 0.559204 0.634676 F\n0.393001 0.456097 0.369526 F\n0.924019 0.867645 0.307963 F\n0.083990 0.120656 0.701526 F\n0.698414 0.290239 0.027278 F\n",
"nsites": 19,
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"volume": 200.94727138504788,
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{
"id": "jvasp-69411",
"created_at": "2022-09-04T14:36:10.708568Z",
"updated_at": "2022-09-04T14:36:10.708597Z",
"structure_string": "Be2 Cu1 Rh1\n1.0\n2.825755 0.000000 -0.000000\n-0.000000 2.825755 0.000000\n-0.000000 0.000000 5.298124\nBe Cu Rh\n2 1 1\ndirect\n0.000000 0.000000 0.007524 Be\n0.499999 0.499999 0.238344 Be\n0.000000 0.000000 0.461422 Cu\n0.499999 0.499999 0.792709 Rh\n",
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{
"id": "jvasp-112282",
"created_at": "2022-09-04T14:38:26.653003Z",
"updated_at": "2022-09-04T14:38:26.653031Z",
"structure_string": "Mn5 Cr1 O12\n1.0\n4.985606 0.002480 0.236159\n-2.512716 4.306104 0.236159\n0.402968 0.702103 8.942016\nMn Cr O\n5 1 12\ndirect\n0.166704 0.833352 0.499999 Mn\n0.666634 0.333295 0.000000 Mn\n0.333295 0.666633 0.000001 Mn\n0.833353 0.166704 0.499999 Mn\n0.500029 0.500029 0.499999 Mn\n-0.000036 -0.000036 0.000002 Cr\n0.700274 0.035734 0.892001 O\n0.628770 0.628769 0.108000 O\n-0.035804 0.299660 0.107998 O\n0.464239 0.130997 0.607884 O\n0.797749 0.797748 0.607907 O\n0.535817 0.869058 0.392118 O\n0.869059 0.535817 0.392118 O\n0.371159 0.371158 0.891999 O\n0.035734 0.700272 0.892001 O\n0.299660 -0.035803 0.107998 O\n0.130997 0.464238 0.607885 O\n0.202307 0.202307 0.392095 O\n",
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"volume": 190.37489858517284,
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"formula_full": "Mn5 Cr1 O12",
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{
"id": "jvasp-117071",
"created_at": "2022-09-04T14:38:48.306735Z",
"updated_at": "2022-09-04T14:38:48.306768Z",
"structure_string": "Li2 Mn4 Ni2 O12\n1.0\n4.944299 0.006243 -0.400146\n-2.513527 4.257628 0.400535\n-0.180573 0.102841 10.060659\nLi Mn Ni O\n2 4 2 12\ndirect\n0.354182 0.854278 0.249992 Li\n0.645818 0.145722 0.750007 Li\n0.166355 0.834264 0.504826 Mn\n0.334264 0.666356 0.995180 Mn\n0.665735 0.333643 0.004819 Mn\n0.833644 0.165735 0.495173 Mn\n0.499999 0.500000 0.500000 Ni\n0.000002 -0.000000 0.000000 Ni\n0.179169 0.158243 0.597087 O\n0.658268 0.679208 0.902911 O\n0.980346 0.341727 0.901351 O\n0.019654 0.658273 0.098647 O\n0.820830 0.841756 0.402912 O\n0.653764 0.981315 0.103298 O\n0.841702 0.480311 0.598648 O\n0.346236 0.018685 0.896700 O\n0.341731 0.320791 0.097086 O\n0.518662 0.846196 0.603295 O\n0.481337 0.153803 0.396704 O\n0.158298 0.519688 0.401351 O\n",
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"formula_full": "Li2 Mn4 Ni2 O12",
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{
"id": "jvasp-119316",
"created_at": "2022-09-04T14:38:30.342863Z",
"updated_at": "2022-09-04T14:38:30.342900Z",
"structure_string": "Mn4 Cu2 O8\n1.0\n5.073329 0.031575 3.295366\n1.461346 4.846530 2.687996\n0.007138 0.031575 6.049632\nMn Cu O\n4 2 8\ndirect\n0.021527 0.978474 0.021526 Mn\n0.228474 0.271527 0.228474 Mn\n0.125001 0.625001 0.625000 Mn\n0.625000 0.625001 0.125000 Mn\n0.625000 0.125001 0.625000 Cu\n0.625001 0.625001 0.625000 Cu\n0.364542 0.406855 0.364541 O\n0.358094 0.407930 0.826048 O\n0.364542 0.864065 0.364541 O\n0.423952 0.842073 0.891906 O\n0.826049 0.407930 0.358094 O\n0.891907 0.842073 0.423951 O\n0.885459 0.385938 0.885458 O\n0.885460 0.843148 0.885458 O\n",
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{
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"created_at": "2022-09-04T14:37:58.156835Z",
"updated_at": "2022-09-04T14:37:58.156861Z",
"structure_string": "H3 Pb1\n1.0\n-1.955852 1.955852 2.765142\n1.955852 -1.955852 2.765142\n1.955852 1.955852 -2.765142\nH Pb\n3 1\ndirect\n0.749999 0.249999 0.500001 H\n0.249999 0.749999 0.500001 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:04.746328Z",
"updated_at": "2022-09-04T14:38:04.746352Z",
"structure_string": "Co8 O4 F12\n1.0\n0.000000 -0.000000 -5.957952\n4.771730 4.771730 0.000000\n4.464777 -4.464777 2.978976\nCo O F\n8 4 12\ndirect\n0.014492 -0.000000 -0.000000 Co\n0.485508 -0.000000 -0.000000 Co\n0.487003 0.000000 0.474006 Co\n0.750000 0.500000 -0.000000 Co\n0.250000 0.500000 -0.000000 Co\n0.012997 0.000000 0.525995 Co\n0.250000 0.500000 0.500000 Co\n0.750000 0.500000 0.500000 Co\n0.905673 0.500000 0.311347 O\n0.594327 0.500000 0.688653 O\n0.344014 0.000000 0.188031 O\n0.155986 0.000000 0.811971 O\n0.250000 0.798358 0.500000 F\n0.849041 0.000000 0.198082 F\n0.002927 0.287755 -0.000000 F\n0.497073 0.287755 -0.000000 F\n0.250000 0.201642 0.500000 F\n0.750000 0.201642 0.500000 F\n0.002927 0.712245 -0.000000 F\n0.497073 0.712245 -0.000000 F\n0.398553 0.500000 0.297107 F\n0.650958 0.000000 0.801919 F\n0.101446 0.500000 0.702893 F\n0.750000 0.798358 0.500000 F\n",
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{
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"structure_string": "Ca1 Fe1 O3\n1.0\n3.753680 -0.000000 -0.000000\n-0.000000 3.753680 0.000000\n-0.000000 -0.000000 3.753680\nCa Fe O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Fe2 H16 Cl4 O8\n1.0\n5.464512 0.000000 -2.092345\n0.000000 6.906605 0.000000\n-0.001212 0.000000 8.409228\nFe H Cl O\n2 16 4 8\ndirect\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.370422 0.770902 -0.001049 H\n0.629578 0.270902 0.501048 H\n0.629578 0.229099 0.001048 H\n0.372138 0.774571 0.185264 H\n0.627862 0.274570 0.314735 H\n0.627862 0.225430 0.814735 H\n0.372138 0.725430 0.685265 H\n0.370422 0.729099 0.498952 H\n0.109491 0.426615 0.206600 H\n0.109491 0.073385 0.706600 H\n0.890509 0.573385 0.793400 H\n0.112676 0.073087 0.348035 H\n0.887324 0.573087 0.151965 H\n0.887324 0.926914 0.651965 H\n0.112676 0.426913 0.848035 H\n0.890509 0.926616 0.293400 H\n0.323136 0.262617 0.080268 Cl\n0.676864 0.762618 0.419731 Cl\n0.676864 0.737383 0.919732 Cl\n0.323136 0.237383 0.580268 Cl\n0.739514 0.280603 0.435146 O\n0.001359 0.500460 0.750206 O\n0.998641 0.000459 0.749794 O\n0.998641 0.499541 0.249794 O\n0.001359 0.999541 0.250206 O\n0.260486 0.719397 0.564853 O\n0.739514 0.219397 0.935147 O\n0.260485 0.780604 0.064853 O\n",
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{
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"created_at": "2022-09-04T14:38:44.432305Z",
"updated_at": "2022-09-04T14:38:44.432334Z",
"structure_string": "Li1 As1 O2\n1.0\n1.563828 0.902876 4.995231\n-1.563828 0.902876 4.995231\n-0.000000 -1.805753 4.995231\nLi As O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 As\n0.250206 0.250206 0.250206 O\n0.749793 0.749793 0.749794 O\n",
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}
]
}