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{
"id": "jvasp-8018",
"created_at": "2022-09-04T14:36:35.922243Z",
"updated_at": "2022-09-04T14:36:35.922269Z",
"structure_string": "Mn2 Ir2\n1.0\n3.658031 0.000000 0.000000\n0.000000 3.764966 0.000000\n0.000000 0.000000 3.764966\nMn Ir\n2 2\ndirect\n0.500000 0.500001 0.000000 Mn\n0.500000 0.000000 0.500001 Mn\n0.000000 0.500001 0.500001 Ir\n0.000000 0.000000 0.000000 Ir\n",
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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",
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"volume": 284.9318494351678,
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"formula_full": "Li4 V2 Fe2 P4 O16",
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{
"id": "jvasp-59044",
"created_at": "2022-09-04T14:38:18.226974Z",
"updated_at": "2022-09-04T14:38:18.226999Z",
"structure_string": "Ca4 Nb8 O16\n1.0\n5.114132 -0.000000 0.000000\n-0.000000 5.907895 0.000000\n0.000000 0.000000 11.958302\nCa Nb O\n4 8 16\ndirect\n0.309460 0.250000 0.996197 Ca\n0.309460 0.749999 0.503802 Ca\n0.690540 0.749999 0.003802 Ca\n0.690540 0.250000 0.496197 Ca\n0.844185 0.000000 0.250000 Nb\n0.155815 0.500000 0.750000 Nb\n0.844185 0.500000 0.250000 Nb\n0.155815 0.000000 0.750000 Nb\n0.659209 0.250000 0.753877 Nb\n0.340791 0.250000 0.253877 Nb\n0.340791 0.749999 0.246123 Nb\n0.659209 0.749999 0.746123 Nb\n0.006401 0.749999 0.138813 O\n0.014155 0.250000 0.142382 O\n0.014155 0.749999 0.357618 O\n0.993599 0.749999 0.638813 O\n0.993599 0.250000 0.861186 O\n0.006401 0.250000 0.361187 O\n0.507787 0.995358 0.363177 O\n0.507787 0.504641 0.363177 O\n0.492212 0.495359 0.636823 O\n0.492212 0.504641 0.863177 O\n0.492212 0.004641 0.636823 O\n0.492212 0.995358 0.863177 O\n0.985845 0.250000 0.642382 O\n0.507787 0.495359 0.136823 O\n0.507787 0.004641 0.136823 O\n0.985845 0.749999 0.857618 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.329244524034999,
"density_atomic": 0.07749680765209802,
"volume": 361.30520531502145,
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"formula_full": "Ca4 Nb8 O16",
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{
"id": "jvasp-42982",
"created_at": "2022-09-04T14:37:26.994469Z",
"updated_at": "2022-09-04T14:37:26.994480Z",
"structure_string": "Li4 Mn4 Fe2 O12\n1.0\n4.872842 0.018773 -0.000000\n-2.432547 4.222280 0.000000\n0.000000 0.000000 10.010598\nLi Mn Fe O\n4 4 2 12\ndirect\n0.160020 0.660021 0.750000 Li\n0.339979 0.839979 0.250000 Li\n0.660020 0.160020 0.750000 Li\n0.839979 0.339979 0.250000 Li\n0.162568 0.837431 0.500000 Mn\n0.337431 0.662568 0.000000 Mn\n0.662568 0.337431 0.000000 Mn\n0.837431 0.162568 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n0.503162 0.162070 0.393495 O\n0.834027 0.834027 0.396607 O\n0.337928 0.996837 0.893495 O\n0.665971 0.665972 0.896606 O\n0.334028 0.334028 0.103393 O\n0.003162 0.662071 0.106505 O\n0.496836 0.837929 0.606505 O\n0.162071 0.503163 0.393495 O\n0.996836 0.337928 0.893495 O\n0.837928 0.496837 0.606505 O\n0.165972 0.165972 0.603394 O\n0.662070 0.003162 0.106505 O\n",
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],
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"density": 4.4340976148697315,
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"volume": 206.4202278025316,
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"formula_full": "Li4 Mn4 Fe2 O12",
"formula_reduced": "Li2Mn2FeO6",
"formula_anonymous": "AB2C2D6",
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{
"id": "jvasp-92582",
"created_at": "2022-09-04T14:36:21.245866Z",
"updated_at": "2022-09-04T14:36:21.245881Z",
"structure_string": "Tb1 Co1 Si3\n1.0\n4.093345 0.000000 0.000000\n0.000000 4.093345 -0.000000\n-2.046672 -2.046672 4.774165\nTb Co Si\n1 1 3\ndirect\n0.003516 0.003516 0.007032 Tb\n0.660728 0.660728 0.321458 Co\n0.428666 0.428666 0.857332 Si\n0.761044 0.261045 0.522090 Si\n0.261045 0.761044 0.522090 Si\n",
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"elements": [
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"density_atomic": 0.06250516125829311,
"volume": 79.99339413489804,
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"formula_full": "Tb1 Co1 Si3",
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{
"id": "jvasp-114718",
"created_at": "2022-09-04T14:38:42.820864Z",
"updated_at": "2022-09-04T14:38:42.820880Z",
"structure_string": "Ca1 V1 N1\n1.0\n3.111749 -0.000000 -0.000000\n-0.000000 3.111749 0.000000\n0.000000 -0.000000 6.819653\nCa V N\n1 1 1\ndirect\n0.000000 0.000000 0.308785 Ca\n0.000000 0.000000 0.752565 V\n0.000000 0.000000 -0.010748 N\n",
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},
{
"id": "jvasp-17220",
"created_at": "2022-09-04T14:37:44.173179Z",
"updated_at": "2022-09-04T14:37:44.173199Z",
"structure_string": "Yb1 Mn2 Si2\n1.0\n3.708963 0.000000 -1.296548\n-0.453236 3.681167 -1.296548\n-0.030298 -0.034257 5.866614\nYb Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.249999 0.750000 0.499999 Mn\n0.749999 0.250000 0.499999 Mn\n0.623433 0.623434 0.246867 Si\n0.376565 0.376566 0.753131 Si\n",
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{
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"created_at": "2022-09-04T14:36:20.642659Z",
"updated_at": "2022-09-04T14:36:20.642686Z",
"structure_string": "Yb1 Mn2 Si2\n1.0\n3.928988 -0.000000 0.000000\n-0.000000 3.928988 0.000000\n-1.964494 -1.964494 5.167224\nYb Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.750001 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.623434 0.623434 0.246866 Si\n0.376568 0.376568 0.753133 Si\n",
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},
{
"id": "jvasp-35643",
"created_at": "2022-09-04T14:37:42.023340Z",
"updated_at": "2022-09-04T14:37:42.023367Z",
"structure_string": "Al4 V8 O16\n1.0\n2.864280 1.653693 9.712699\n-2.864280 -4.961080 0.000000\n2.864280 -4.961080 -0.000000\nAl V O\n4 8 16\ndirect\n0.544731 0.363154 0.818423 Al\n0.455269 0.636846 0.181577 Al\n0.922309 0.614873 0.692563 Al\n0.077691 0.385127 0.307437 Al\n0.748747 0.454051 0.272975 V\n0.251253 0.545950 0.727025 V\n0.251253 0.978278 0.727025 V\n0.748747 0.021722 0.272975 V\n0.251253 0.978278 0.294697 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.748747 0.021722 0.705303 V\n0.617274 0.739502 0.630249 O\n0.135821 0.254186 0.118364 O\n0.864179 0.745815 0.881636 O\n0.135821 0.254186 0.627451 O\n0.864179 0.745815 0.372549 O\n0.382726 0.260498 0.369752 O\n0.382726 0.752478 0.369752 O\n0.638042 0.758696 0.120653 O\n0.382726 0.752478 0.877772 O\n0.617274 0.247523 0.122228 O\n0.894119 0.262747 0.368627 O\n0.105881 0.737254 0.631373 O\n0.864179 0.236728 0.881636 O\n0.361958 0.241305 0.879347 O\n0.617274 0.247523 0.630249 O\n0.135821 0.763272 0.118365 O\n",
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{
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"created_at": "2022-09-04T14:38:55.080251Z",
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"structure_string": "Np4 Pd12\n1.0\n5.841564 0.007661 0.000000\n-2.928160 5.054681 0.000000\n-0.000000 0.000000 9.613913\nNp Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.666730 0.333269 0.750000 Np\n0.333269 0.666730 0.250000 Np\n0.500000 -0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.500000 0.500000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.172440 0.827559 0.750000 Pd\n0.655248 0.827535 0.750000 Pd\n0.172464 0.344751 0.750000 Pd\n0.827559 0.172440 0.250000 Pd\n0.344751 0.172464 0.250000 Pd\n0.827535 0.655248 0.250000 Pd\n",
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{
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"formula_full": "As4 Os4 S4",
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{
"id": "jvasp-106988",
"created_at": "2022-09-04T14:38:01.503333Z",
"updated_at": "2022-09-04T14:38:01.503357Z",
"structure_string": "Th1 In1 Ru2\n1.0\n4.155594 -0.000000 2.399233\n1.385198 3.917931 2.399233\n-0.000000 -0.000000 4.798467\nTh In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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}
]
}