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{
"id": "jvasp-44629",
"created_at": "2022-09-04T14:38:13.525548Z",
"updated_at": "2022-09-04T14:38:13.525573Z",
"structure_string": "Mn1 Co4 O8\n1.0\n5.675760 0.003661 0.032900\n-2.834646 -4.899616 -0.026947\n-2.808991 1.470292 -4.691443\nMn Co O\n1 4 8\ndirect\n0.499999 -0.000001 0.000000 Mn\n-0.000002 0.500000 0.500000 Co\n-0.000000 -0.000001 -0.000000 Co\n0.499999 0.500000 0.000001 Co\n0.000002 0.500003 -0.000000 Co\n0.533989 0.273242 0.794545 O\n0.029406 0.763384 0.784300 O\n0.518473 0.763378 0.784320 O\n0.034694 0.279283 0.789884 O\n0.965305 0.720717 0.210116 O\n0.481527 0.236624 0.215679 O\n0.970596 0.236617 0.215701 O\n0.466010 0.726759 0.205454 O\n",
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{
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"structure_string": "Pr3 Al1\n1.0\n4.928110 -0.000000 0.000000\n0.000000 4.928110 0.000000\n0.000000 -0.000000 4.928110\nPr Al\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Al\n",
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{
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"updated_at": "2022-09-04T14:38:13.535960Z",
"structure_string": "Li4 Ti3 V3 Cr2 O16\n1.0\n5.830139 -0.000792 0.000540\n-2.914414 5.053909 0.002804\n-0.000963 -0.016588 9.521066\nLi Ti V Cr O\n4 3 3 2 16\ndirect\n0.669004 0.338023 0.893798 Li\n0.996468 0.992963 0.993911 Li\n-0.001945 -0.003875 0.498044 Li\n0.335061 0.670157 0.394016 Li\n0.340722 0.175861 0.215787 Ti\n0.835037 0.175783 0.215799 Ti\n0.166446 0.332904 0.717526 Ti\n0.650719 0.829839 0.709809 V\n0.179101 0.829837 0.709810 V\n0.830960 0.661887 0.208741 V\n0.669518 0.339053 0.487480 Cr\n0.334491 0.669004 0.984106 Cr\n0.164793 0.329619 0.100445 O\n0.163555 0.832284 0.103053 O\n0.328485 0.656985 0.596596 O\n0.479082 0.519627 0.840998 O\n0.040527 0.519630 0.841000 O\n0.835915 0.671847 0.604198 O\n0.962743 0.483419 0.340873 O\n0.521343 0.042718 0.340681 O\n0.832177 0.165901 0.601341 O\n-0.003481 -0.006938 0.809809 O\n0.001992 0.003993 0.313685 O\n0.661820 0.323647 0.099380 O\n0.482112 0.964242 0.841684 O\n0.333707 0.165900 0.601341 O\n0.520662 0.483431 0.340874 O\n0.668709 0.832264 0.103055 O\n",
"nsites": 28,
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"volume": 280.516456408726,
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"formula_full": "Li4 Ti3 V3 Cr2 O16",
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{
"id": "jvasp-11060",
"created_at": "2022-09-04T14:38:13.536686Z",
"updated_at": "2022-09-04T14:38:13.536701Z",
"structure_string": "Mg1 V4 O8\n1.0\n4.897227 -0.155301 3.467321\n1.709590 4.591759 3.467321\n-0.231275 -0.155301 5.995970\nMg V O\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Mg\n0.500001 0.999999 0.500000 V\n0.999999 0.500000 0.500000 V\n0.500000 0.500000 -0.000001 V\n0.000000 0.000000 0.000000 V\n0.754985 0.267749 0.754985 O\n0.245013 0.245015 0.732252 O\n0.245014 0.732253 0.245013 O\n0.732251 0.245015 0.245014 O\n0.265363 0.265365 0.265363 O\n0.734636 0.734637 0.734636 O\n0.267749 0.754987 0.754985 O\n0.754986 0.754987 0.267748 O\n",
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{
"id": "jvasp-43000",
"created_at": "2022-09-04T14:38:13.540469Z",
"updated_at": "2022-09-04T14:38:13.540478Z",
"structure_string": "Li2 V2 Si2 O10\n1.0\n0.000000 4.584665 0.056667\n6.229963 0.000000 0.000000\n0.000000 -0.355036 -6.401064\nLi V Si O\n2 2 2 10\ndirect\n0.499999 0.000000 0.499999 Li\n0.499999 0.500000 0.499999 Li\n0.892537 0.750000 0.244779 V\n0.107461 0.250000 0.755220 V\n0.983772 0.250000 0.254985 Si\n0.016226 0.750000 0.745014 Si\n0.150121 0.250000 0.035421 O\n0.246138 0.750000 0.295762 O\n0.773115 0.464213 0.265140 O\n0.773115 0.035787 0.265140 O\n0.229905 0.250000 0.451769 O\n0.770093 0.750000 0.548229 O\n0.226883 0.964213 0.734859 O\n0.226883 0.535786 0.734859 O\n0.753860 0.250000 0.704237 O\n0.849877 0.750000 0.964578 O\n",
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"density_atomic": 0.0875734730607286,
"volume": 182.70372797598947,
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"formula_full": "Li2 V2 Si2 O10",
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},
{
"id": "jvasp-58842",
"created_at": "2022-09-04T14:38:13.553542Z",
"updated_at": "2022-09-04T14:38:13.553559Z",
"structure_string": "Tl4 Cd4 Cl12\n1.0\n4.000012 0.000000 0.000000\n-0.000000 8.917183 0.000000\n0.000000 0.000000 14.852913\nTl Cd Cl\n4 4 12\ndirect\n0.250000 0.929397 0.323815 Tl\n0.750000 0.070602 0.676184 Tl\n0.250000 0.429398 0.176184 Tl\n0.750000 0.570602 0.823815 Tl\n0.250000 0.668536 0.557113 Cd\n0.750000 0.331464 0.442886 Cd\n0.250000 0.168536 0.942886 Cd\n0.750000 0.831464 0.057114 Cd\n0.250000 0.291007 0.787254 Cl\n0.750000 0.708993 0.212746 Cl\n0.750000 0.834759 0.494907 Cl\n0.250000 0.165240 0.505093 Cl\n0.750000 0.334760 0.005093 Cl\n0.750000 0.474976 0.602887 Cl\n0.750000 0.974976 0.897112 Cl\n0.250000 0.025024 0.102887 Cl\n0.750000 0.208993 0.287254 Cl\n0.250000 0.525024 0.397113 Cl\n0.250000 0.665240 0.994907 Cl\n0.250000 0.791006 0.712746 Cl\n",
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],
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"density": 5.305254349430621,
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{
"id": "jvasp-17513",
"created_at": "2022-09-04T14:38:13.565841Z",
"updated_at": "2022-09-04T14:38:13.565855Z",
"structure_string": "Dy3 Pb1 C1\n1.0\n4.893694 -0.000000 0.000000\n-0.000000 4.893694 -0.000000\n0.000000 -0.000000 4.893694\nDy Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
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],
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{
"id": "jvasp-9925",
"created_at": "2022-09-04T14:38:13.567008Z",
"updated_at": "2022-09-04T14:38:13.567029Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n3.162542 -0.000000 -0.000000\n-1.581272 5.618583 0.000000\n0.000000 0.000000 10.666518\nMg Sb O\n2 4 8\ndirect\n0.388074 0.776149 0.750000 Mg\n0.611925 0.223851 0.250000 Mg\n0.868415 0.736831 0.078681 Sb\n0.131585 0.263169 0.921320 Sb\n0.868415 0.736831 0.421320 Sb\n0.131585 0.263169 0.578681 Sb\n0.209942 0.419884 0.380473 O\n0.790058 0.580116 0.619528 O\n0.790058 0.580116 0.880473 O\n0.209942 0.419884 0.119527 O\n0.991101 0.982202 0.250000 O\n0.008899 0.017797 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"volume": 189.5334086664826,
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{
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"created_at": "2022-09-04T14:38:13.567798Z",
"updated_at": "2022-09-04T14:38:13.567809Z",
"structure_string": "Li6 Al2 H12\n1.0\n5.588140 -0.003682 -0.142466\n-0.146051 5.586233 -0.142466\n-0.003589 -0.003682 5.589955\nLi Al H\n6 2 12\ndirect\n0.433931 0.940599 0.251498 Li\n0.566069 0.059401 0.748500 Li\n0.940599 0.251499 0.433929 Li\n0.251499 0.433931 0.940598 Li\n0.059400 0.748501 0.566068 Li\n0.748501 0.566069 0.059400 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Al\n0.049011 0.704155 0.909362 H\n0.295844 0.090636 0.950988 H\n0.090636 0.950989 0.295844 H\n0.572903 0.431978 0.796260 H\n0.431977 0.796261 0.572902 H\n0.796261 0.572903 0.431976 H\n0.427097 0.568022 0.203738 H\n0.568022 0.203739 0.427096 H\n0.203739 0.427097 0.568022 H\n0.909364 0.049011 0.704154 H\n0.704155 0.909363 0.049010 H\n0.950989 0.295845 0.090635 H\n",
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{
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"created_at": "2022-09-04T14:38:13.573849Z",
"updated_at": "2022-09-04T14:38:13.573886Z",
"structure_string": "Tm3 In1 C1\n1.0\n5.468167 0.000000 0.000000\n0.000000 5.468167 0.000000\n-0.000000 -0.000000 5.468167\nTm In C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:38:13.577055Z",
"updated_at": "2022-09-04T14:38:13.577080Z",
"structure_string": "Na12 B4 O12\n1.0\n0.000000 5.692641 -0.003559\n7.458093 0.000000 0.000000\n0.000000 -5.320242 -8.009287\nNa B O\n12 4 12\ndirect\n0.400275 0.220150 0.776340 Na\n0.599726 0.720150 0.723660 Na\n0.599726 0.779850 0.223660 Na\n0.400274 0.279850 0.276340 Na\n0.791868 0.473952 0.045167 Na\n0.208132 0.973952 0.454834 Na\n0.208132 0.526047 0.954834 Na\n0.791868 0.026048 0.545167 Na\n0.954175 0.849463 0.070323 Na\n0.045825 0.349463 0.429677 Na\n0.045825 0.150537 0.929678 Na\n0.954176 0.650537 0.570323 Na\n0.720152 0.339938 0.653672 B\n0.279849 0.839938 0.846329 B\n0.279849 0.660061 0.346328 B\n0.720151 0.160061 0.153672 B\n0.941023 0.146758 0.130026 O\n0.058977 0.646757 0.369974 O\n0.058977 0.853242 0.869974 O\n0.941024 0.353242 0.630026 O\n0.485267 0.266406 0.047021 O\n0.514734 0.766406 0.452979 O\n0.514734 0.733594 0.952979 O\n0.485267 0.233594 0.547022 O\n0.747364 0.082713 0.293941 O\n0.252636 0.582713 0.206059 O\n0.252636 0.917287 0.706059 O\n0.747365 0.417287 0.793942 O\n",
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},
{
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"created_at": "2022-09-04T14:38:13.578028Z",
"updated_at": "2022-09-04T14:38:13.578047Z",
"structure_string": "K3 Zn2 F7\n1.0\n4.016945 -0.000000 -0.756551\n-0.142488 4.014418 -0.756551\n-0.006168 -0.006391 11.009619\nK Zn F\n3 2 7\ndirect\n0.315320 0.315321 0.630641 K\n0.684680 0.684680 0.369359 K\n0.500000 0.500000 0.000000 K\n0.097002 0.097002 0.194004 Zn\n0.902998 0.902999 0.805996 Zn\n0.000000 0.000000 0.000000 F\n0.404896 0.904897 0.809791 F\n0.904896 0.404896 0.809791 F\n0.595105 0.095104 0.190209 F\n0.095104 0.595104 0.190209 F\n0.192899 0.192899 0.385799 F\n0.807102 0.807102 0.614202 F\n",
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],
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}
]
}