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{
"id": "jvasp-11321",
"created_at": "2022-09-04T14:37:08.622703Z",
"updated_at": "2022-09-04T14:37:08.622729Z",
"structure_string": "Zn2 Sb2 F10\n1.0\n5.152903 0.191607 1.218077\n-1.392738 4.788259 0.695479\n0.057869 -1.292264 7.943801\nZn Sb F\n2 2 10\ndirect\n0.383976 0.556674 0.222189 Zn\n0.732943 0.574151 0.781469 Zn\n0.043074 0.082920 0.013871 Sb\n0.480314 0.073090 0.513767 Sb\n0.070883 0.840476 0.788995 F\n0.784009 -0.022596 0.344810 F\n0.605787 0.875664 0.686250 F\n0.817612 0.256634 0.901831 F\n0.350623 0.325761 0.841998 F\n0.785119 0.394133 0.557653 F\n0.635367 0.741073 0.026926 F\n0.320395 0.657863 0.454872 F\n0.059451 0.481541 0.135327 F\n0.416601 0.178632 0.232096 F\n",
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{
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"structure_string": "Ga1 As1 Pd5\n1.0\n3.989787 -0.000000 0.000000\n-0.000000 3.989787 -0.000000\n0.000000 -0.000000 6.967300\nGa As Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.277548 Pd\n0.000000 0.500000 0.722452 Pd\n0.500000 0.000000 0.277548 Pd\n0.500000 0.000000 0.722452 Pd\n0.000000 0.000000 0.000000 Pd\n",
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},
{
"id": "jvasp-11616",
"created_at": "2022-09-04T14:37:28.338392Z",
"updated_at": "2022-09-04T14:37:28.338425Z",
"structure_string": "Ca2 Ti2 F10\n1.0\n5.303656 0.016153 1.920978\n1.149965 5.177509 1.920978\n-0.003666 -0.002951 7.718675\nCa Ti F\n2 2 10\ndirect\n0.456772 0.543228 0.750001 Ca\n0.543229 0.456771 0.250000 Ca\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.204798 0.255058 0.879569 F\n0.744943 0.795201 0.620432 F\n0.795203 0.744942 0.120432 F\n0.255058 0.204799 0.379569 F\n0.093184 0.906816 0.750001 F\n0.906817 0.093183 0.250000 F\n0.286342 0.684824 0.469672 F\n0.315176 0.713658 0.030329 F\n0.713659 0.315175 0.530329 F\n0.684824 0.286342 0.969672 F\n",
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"elements": [
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],
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"density_atomic": 0.06607849794965232,
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"formula_full": "Ca2 Ti2 F10",
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"formula_anonymous": "ABC5",
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"spacegroup": 15
},
{
"id": "jvasp-35449",
"created_at": "2022-09-04T14:37:29.857742Z",
"updated_at": "2022-09-04T14:37:29.857763Z",
"structure_string": "Al1 P1 Pt5\n1.0\n3.952265 -0.000000 0.000000\n-0.000000 3.952265 -0.000000\n0.000000 -0.000000 6.899590\nAl P Pt\n1 1 5\ndirect\n0.499999 0.499999 0.000000 Al\n0.000000 0.000000 0.500000 P\n0.000000 0.499999 0.285957 Pt\n0.000000 0.499999 0.714043 Pt\n0.499999 0.000000 0.285957 Pt\n0.499999 0.000000 0.714043 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
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"elements": [
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],
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"density": 15.921785822374382,
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"volume": 107.77434618511411,
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"formula_full": "Al1 P1 Pt5",
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"spacegroup": 123
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{
"id": "jvasp-35450",
"created_at": "2022-09-04T14:37:29.895373Z",
"updated_at": "2022-09-04T14:37:29.895391Z",
"structure_string": "Zn1 P1 Pt5\n1.0\n3.928420 -0.000000 0.000000\n0.000000 3.928420 -0.000000\n-0.000000 -0.000000 7.014220\nZn P Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.289868 Pt\n0.000000 0.500000 0.710132 Pt\n0.500000 0.000000 0.289868 Pt\n0.500000 0.000000 0.710132 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-34571",
"created_at": "2022-09-04T14:37:10.914131Z",
"updated_at": "2022-09-04T14:37:10.914153Z",
"structure_string": "Mn2 Al2 F10\n1.0\n3.617598 0.000000 0.000000\n-1.808799 4.974814 0.000000\n0.000000 -0.000000 9.584191\nMn Al F\n2 2 10\ndirect\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.794276 0.588551 0.250000 Al\n0.205724 0.411449 0.750000 Al\n0.305541 0.611082 0.250000 F\n0.694459 0.388918 0.750000 F\n0.072415 0.144830 0.615107 F\n0.927585 0.855169 0.384893 F\n0.330866 0.661733 0.884332 F\n0.669134 0.338266 0.115668 F\n0.669134 0.338266 0.384332 F\n0.330866 0.661733 0.615668 F\n0.072415 0.144830 0.884893 F\n0.927585 0.855169 0.115107 F\n",
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"elements": [
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"density_atomic": 0.08116623906996413,
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"formula_full": "Mn2 Al2 F10",
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"spacegroup": 63
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{
"id": "jvasp-11307",
"created_at": "2022-09-04T14:37:11.329525Z",
"updated_at": "2022-09-04T14:37:11.329548Z",
"structure_string": "Mg2 Mo2 F10\n1.0\n5.026263 0.091902 -1.927761\n-2.015747 4.942476 -0.704778\n-0.112508 -0.038466 7.649214\nMg Mo F\n2 2 10\ndirect\n0.271838 0.521839 0.749999 Mg\n0.728160 0.478161 0.250000 Mg\n0.000000 0.000000 0.000000 Mo\n0.499999 -0.000001 0.500000 Mo\n0.391194 0.141195 0.250000 F\n0.608804 0.858805 0.749999 F\n0.563670 0.696756 0.355077 F\n0.841677 0.208593 0.144922 F\n0.759181 0.668488 0.049348 F\n0.119139 0.709834 0.450651 F\n0.240818 0.331512 0.950651 F\n0.880859 0.290166 0.549348 F\n0.158321 0.791407 0.855076 F\n0.436329 0.303243 0.644922 F\n",
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{
"id": "jvasp-94885",
"created_at": "2022-09-04T14:35:59.024560Z",
"updated_at": "2022-09-04T14:35:59.024579Z",
"structure_string": "Si1 Sb1 Pt5\n1.0\n3.955398 -0.000000 -0.000000\n-0.000000 3.955398 -0.000000\n0.000000 0.000000 7.682351\nSi Sb Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.748537 Pt\n0.000000 0.500000 0.748537 Pt\n0.500000 0.000000 0.251463 Pt\n0.000000 0.500000 0.251463 Pt\n",
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{
"id": "jvasp-13990",
"created_at": "2022-09-04T14:36:04.566853Z",
"updated_at": "2022-09-04T14:36:04.566867Z",
"structure_string": "Ta2 Te10 Pt2\n1.0\n3.782283 0.000000 0.000000\n-1.891142 6.802384 -0.000000\n0.000000 0.000000 15.687891\nTa Te Pt\n2 10 2\ndirect\n0.489007 0.978013 0.750000 Ta\n0.510992 0.021987 0.250000 Ta\n0.831653 0.663308 0.750000 Te\n0.168346 0.336691 0.250000 Te\n0.609490 0.218981 0.080384 Te\n0.390509 0.781018 0.919616 Te\n0.100391 0.200783 0.851399 Te\n0.899608 0.799217 0.148601 Te\n0.899608 0.799217 0.351399 Te\n0.100391 0.200783 0.648601 Te\n0.609490 0.218981 0.419616 Te\n0.390509 0.781018 0.580384 Te\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:35:48.411472Z",
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{
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"created_at": "2022-09-04T14:35:50.321314Z",
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"structure_string": "Ca1 Ni5 H1\n1.0\n0.000000 0.000000 -3.955429\n-2.522031 -4.255436 0.000000\n-2.522157 4.255564 0.000000\nCa Ni H\n1 5 1\ndirect\n0.000000 0.002278 0.997728 Ca\n0.000000 0.660683 0.339342 Ni\n0.000000 0.338382 0.661610 Ni\n0.500000 0.502928 0.497069 Ni\n0.500000 0.007842 0.505671 Ni\n0.500000 0.494358 0.992166 Ni\n0.500000 0.857635 0.142413 H\n",
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{
"id": "jvasp-63236",
"created_at": "2022-09-04T14:35:47.861491Z",
"updated_at": "2022-09-04T14:35:47.861529Z",
"structure_string": "Sb4 As4 Pd20\n1.0\n-0.000000 6.204188 6.204188\n6.204188 0.000000 6.204188\n6.204188 6.204188 -0.000000\nSb As Pd\n4 4 20\ndirect\n0.375000 0.875000 0.875000 Sb\n0.875000 0.875000 0.375000 Sb\n0.875000 0.375000 0.875000 Sb\n0.875000 0.875000 0.875000 Sb\n0.375000 0.875000 0.375000 As\n0.375000 0.375000 0.875000 As\n0.375000 0.375000 0.375000 As\n0.875000 0.375000 0.375000 As\n0.714137 0.714137 0.285863 Pd\n0.728463 0.090513 0.090513 Pd\n0.090513 0.090513 0.090513 Pd\n0.090513 0.728463 0.090513 Pd\n0.090513 0.090513 0.728463 Pd\n0.021537 0.659487 0.659487 Pd\n0.659487 0.659487 0.659487 Pd\n0.659487 0.659487 0.021537 Pd\n0.659487 0.021537 0.659487 Pd\n0.464137 0.035863 0.035863 Pd\n0.035863 0.464137 0.464137 Pd\n0.035863 0.035863 0.464137 Pd\n0.035863 0.464137 0.035863 Pd\n0.464137 0.035863 0.464137 Pd\n0.285863 0.714137 0.714137 Pd\n0.714137 0.285863 0.285863 Pd\n0.285863 0.714137 0.285863 Pd\n0.714137 0.285863 0.714137 Pd\n0.285863 0.285863 0.714137 Pd\n0.464137 0.464137 0.035863 Pd\n",
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],
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"formula_full": "Sb4 As4 Pd20",
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}
]
}