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{
"id": "jvasp-113731",
"created_at": "2022-09-04T14:38:48.624237Z",
"updated_at": "2022-09-04T14:38:48.624253Z",
"structure_string": "Sr1 Te1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nSr Te O\n1 1 1\ndirect\n0.070312 0.371263 0.000000 Sr\n-0.068721 -0.031433 0.000000 Te\n0.298396 0.011205 0.000000 O\n",
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{
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"structure_string": "Be1 Te1 Pd1\n1.0\n3.917661 -0.839524 0.000000\n-1.315355 5.282069 0.000000\n0.000000 0.000000 3.017525\nBe Te Pd\n1 1 1\ndirect\n0.419185 0.036465 0.000000 Be\n0.051224 0.421027 0.000000 Te\n-0.178375 -0.156139 0.000000 Pd\n",
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{
"id": "jvasp-115651",
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"structure_string": "Be1 Sb1 Se1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBe Sb Se\n1 1 1\ndirect\n0.275145 0.006591 0.000000 Be\n0.066860 0.364970 0.000000 Sb\n-0.054755 -0.077455 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:38:47.718537Z",
"updated_at": "2022-09-04T14:38:47.718567Z",
"structure_string": "Li1 Br1 N1\n1.0\n3.884784 1.699985 0.000000\n2.038109 6.447041 0.000000\n0.000000 0.000000 4.079593\nLi Br N\n1 1 1\ndirect\n0.269971 0.019555 0.000000 Li\n0.007427 -0.205853 0.000000 Br\n-0.005372 0.408482 0.000000 N\n",
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"volume": 88.04009323573102,
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{
"id": "jvasp-113590",
"created_at": "2022-09-04T14:38:47.740990Z",
"updated_at": "2022-09-04T14:38:47.741014Z",
"structure_string": "Co1 Te1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nCo Te O\n1 1 1\ndirect\n0.352277 -0.051391 0.000000 Co\n0.015534 0.350574 0.000000 Te\n-0.127272 -0.061588 0.000000 O\n",
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"volume": 192.04741855379137,
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"formula_full": "Co1 Te1 O1",
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{
"id": "jvasp-117003",
"created_at": "2022-09-04T14:38:47.741490Z",
"updated_at": "2022-09-04T14:38:47.741513Z",
"structure_string": "Sr1 Pr3 Fe4 O12\n1.0\n7.659663 -0.000000 0.000000\n0.000000 5.474863 0.004945\n-0.000000 -0.011676 5.412356\nSr Pr Fe O\n1 3 4 12\ndirect\n0.500000 0.496058 0.510387 Sr\n0.500000 0.004698 0.015033 Pr\n-0.000000 0.505266 0.485008 Pr\n-0.000000 0.000774 0.985904 Pr\n0.251888 0.498919 -0.000562 Fe\n0.747818 0.000727 0.500409 Fe\n0.748111 0.498919 -0.000562 Fe\n0.252181 0.000727 0.500409 Fe\n0.500000 0.954126 0.492626 O\n0.500000 0.559810 0.001894 O\n0.272163 0.257203 0.257744 O\n0.723176 0.229064 0.770352 O\n0.783937 0.737536 0.737132 O\n0.727837 0.257203 0.257744 O\n0.216063 0.737536 0.737132 O\n0.785208 0.763571 0.236057 O\n-0.000000 0.443922 -0.000697 O\n0.276824 0.229064 0.770352 O\n0.214791 0.763571 0.236057 O\n-0.000000 0.061292 0.507592 O\n",
"nsites": 20,
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"elements": [
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"density": 6.7726187819684025,
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{
"id": "jvasp-116906",
"created_at": "2022-09-04T14:38:47.742625Z",
"updated_at": "2022-09-04T14:38:47.742656Z",
"structure_string": "Li4 V2 Fe2 P4 O16\n1.0\n4.687853 -0.009043 0.003367\n0.009010 10.191387 -0.001666\n0.003931 -0.000766 5.963939\nLi V Fe P O\n4 2 2 4 16\ndirect\n0.002107 0.002179 -0.001042 Li\n0.001831 0.002420 0.500957 Li\n0.499970 0.495899 0.001766 Li\n0.499855 0.495611 0.498018 Li\n0.514178 0.775239 0.250142 V\n0.482869 0.226455 0.750381 V\n0.979615 0.272376 0.249557 Fe\n0.028400 0.720709 0.750185 Fe\n0.078211 0.587619 0.250005 P\n0.916351 0.404755 0.749949 P\n0.584475 0.910349 0.750069 P\n0.418837 0.097465 0.250090 P\n0.778151 0.332297 0.957732 O\n0.778353 0.332054 0.542618 O\n0.721545 0.840573 0.958144 O\n0.720826 0.839566 0.542399 O\n0.278120 0.169308 0.456296 O\n0.278191 0.167696 0.042603 O\n0.789675 0.544845 0.749798 O\n0.295290 0.955914 0.251150 O\n0.751426 0.593131 0.249955 O\n0.243613 0.404129 0.750017 O\n0.257817 0.909839 0.750687 O\n0.746405 0.099856 0.249484 O\n0.220726 0.660901 0.045631 O\n0.712837 0.051657 0.748935 O\n0.199886 0.446174 0.250191 O\n0.220427 0.660984 0.454284 O\n",
"nsites": 28,
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"density_atomic": 0.0982691126158959,
"volume": 284.9318494351678,
"volume_molar": 6.128213229663238,
"formula_full": "Li4 V2 Fe2 P4 O16",
"formula_reduced": "Li2VFe(PO4)2",
"formula_anonymous": "ABC2D2E8",
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{
"id": "jvasp-114020",
"created_at": "2022-09-04T14:38:47.950604Z",
"updated_at": "2022-09-04T14:38:47.950629Z",
"structure_string": "Ba1 Br1 O1\n1.0\n4.628866 0.570681 0.000000\n-1.658944 5.261331 0.000000\n0.000000 0.000000 4.966639\nBa Br O\n1 1 1\ndirect\n0.316646 -0.097989 0.000000 Ba\n0.895602 0.335447 0.000000 Br\n0.787754 0.762541 0.000000 O\n",
"nsites": 3,
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"formula_full": "Ba1 Br1 O1",
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{
"id": "jvasp-115762",
"created_at": "2022-09-04T14:38:47.908057Z",
"updated_at": "2022-09-04T14:38:47.908091Z",
"structure_string": "Na1 C1 O1\n1.0\n3.897023 -0.967862 0.000000\n-2.570556 4.597798 0.000000\n0.000000 0.000000 3.076527\nNa C O\n1 1 1\ndirect\n0.014186 0.337755 0.000000 Na\n0.199727 -0.067341 0.000000 C\n0.786086 0.729586 0.000000 O\n",
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"spacegroup": 6
},
{
"id": "jvasp-120656",
"created_at": "2022-09-04T14:38:48.162052Z",
"updated_at": "2022-09-04T14:38:48.162081Z",
"structure_string": "Ca1 Nd3 Mn4 O12\n1.0\n7.697486 -0.000000 0.000000\n0.000000 5.426657 0.027736\n-0.000000 -0.035903 5.497381\nCa Nd Mn O\n1 3 4 12\ndirect\n0.500000 0.490026 0.542844 Ca\n0.500000 0.009615 0.043862 Nd\n-0.000000 0.509498 0.457040 Nd\n-0.000000 0.991950 0.956470 Nd\n0.253551 0.000708 0.500754 Mn\n0.746795 0.499857 0.998569 Mn\n0.746450 0.000708 0.500754 Mn\n0.253206 0.499857 0.998569 Mn\n0.285539 0.208815 0.791089 O\n0.708273 0.286879 0.287222 O\n0.714461 0.208815 0.791089 O\n0.291728 0.286879 0.287222 O\n0.210034 0.786893 0.212789 O\n0.500000 0.920140 0.484974 O\n-0.000000 0.075428 0.510334 O\n-0.000000 0.427615 0.015252 O\n0.205431 0.716927 0.715609 O\n0.500000 0.575584 0.977165 O\n0.794569 0.716927 0.715609 O\n0.789966 0.786893 0.212789 O\n",
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{
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"created_at": "2022-09-04T14:38:48.286174Z",
"updated_at": "2022-09-04T14:38:48.286200Z",
"structure_string": "Rb1 Al1 O1\n1.0\n7.524084 1.036977 0.000000\n1.616703 3.831676 0.000000\n0.000000 0.000000 3.943947\nRb Al O\n1 1 1\ndirect\n-0.108313 -0.003202 0.000000 Rb\n0.391167 0.003168 0.000000 Al\n0.136310 0.268293 0.000000 O\n",
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{
"id": "jvasp-118394",
"created_at": "2022-09-04T14:38:48.403686Z",
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"structure_string": "Ge1 Pb1 S1\n1.0\n5.731381 1.597531 0.000000\n1.365183 5.498062 0.000000\n0.000000 0.000000 3.134846\nGe Pb S\n1 1 1\ndirect\n-0.055161 -0.029666 0.000000 Ge\n0.478128 -0.099814 0.000000 Pb\n-0.088984 0.386481 0.000000 S\n",
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}