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{
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"results": [
{
"id": "jvasp-21629",
"created_at": "2022-09-04T14:38:34.315104Z",
"updated_at": "2022-09-04T14:38:34.315129Z",
"structure_string": "Sb4 Te4 Pd4\n1.0\n6.653619 -0.000000 0.000000\n-0.000000 6.653619 0.000000\n-0.000000 0.000000 6.653619\nSb Te Pd\n4 4 4\ndirect\n0.626873 0.626873 0.626873 Sb\n0.873127 0.373127 0.126873 Sb\n0.126873 0.873127 0.373127 Sb\n0.373127 0.126873 0.873127 Sb\n0.373933 0.373933 0.373933 Te\n0.126067 0.626067 0.873933 Te\n0.873933 0.126067 0.626067 Te\n0.626067 0.873933 0.126067 Te\n0.004631 0.004631 0.004631 Pd\n0.495369 0.995369 0.504631 Pd\n0.504631 0.495369 0.995369 Pd\n0.995369 0.504631 0.495369 Pd\n",
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{
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"structure_string": "Tl2 In10 S14\n1.0\n0.000000 9.220332 -0.011768\n3.941399 0.000000 0.000000\n0.000000 -3.720690 -17.114957\nTl In S\n2 10 14\ndirect\n0.974213 0.250000 0.274780 Tl\n0.025787 0.750000 0.725221 Tl\n0.565864 0.250000 0.119583 In\n0.476509 0.750000 0.397466 In\n0.827652 0.250000 0.467548 In\n0.319705 0.250000 0.188858 In\n0.680295 0.750000 0.811143 In\n0.434136 0.750000 0.880417 In\n0.854883 0.750000 0.045853 In\n0.523491 0.250000 0.602534 In\n0.145117 0.250000 0.954148 In\n0.172348 0.750000 0.532453 In\n0.739684 0.250000 0.728119 S\n0.335718 0.750000 0.006670 S\n0.614995 0.250000 0.347203 S\n0.385005 0.750000 0.652797 S\n0.035785 0.250000 0.588909 S\n0.742895 0.750000 0.172456 S\n0.964215 0.750000 0.411091 S\n0.669641 0.750000 0.532994 S\n0.056912 0.250000 0.090154 S\n0.664282 0.250000 0.993331 S\n0.330359 0.250000 0.467007 S\n0.257105 0.250000 0.827544 S\n0.260316 0.750000 0.271881 S\n0.943088 0.750000 0.909846 S\n",
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"formula_full": "Tl2 In10 S14",
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},
{
"id": "jvasp-16404",
"created_at": "2022-09-04T14:38:34.320570Z",
"updated_at": "2022-09-04T14:38:34.320597Z",
"structure_string": "Tm3 Mg3 Ga3\n1.0\n3.582491 -6.205055 -0.000000\n3.582491 6.205055 0.000000\n-0.000000 -0.000000 4.359013\nTm Mg Ga\n3 3 3\ndirect\n0.425909 -0.000000 0.000000 Tm\n0.574091 0.574091 0.000000 Tm\n-0.000000 0.425909 0.000000 Tm\n0.755510 -0.000000 0.500000 Mg\n0.244490 0.244490 0.500000 Mg\n-0.000000 0.755510 0.500000 Mg\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
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"density_atomic": 0.04644014918408794,
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"spacegroup": 189
},
{
"id": "jvasp-9831",
"created_at": "2022-09-04T14:38:34.338953Z",
"updated_at": "2022-09-04T14:38:34.338970Z",
"structure_string": "Zn4 Fe4 O8\n1.0\n3.014382 -0.054479 -0.020586\n-1.280678 -7.814727 0.028831\n-1.314013 0.229709 -8.090007\nZn Fe O\n4 4 8\ndirect\n0.413674 0.052696 0.295718 Zn\n0.590523 0.927221 0.732476 Zn\n0.839124 0.735379 0.100482 Zn\n0.165027 0.244534 0.927723 Zn\n0.357762 0.305399 0.597452 Fe\n0.816887 0.404223 0.266596 Fe\n0.187238 0.575696 0.761606 Fe\n0.646396 0.674524 0.430753 Fe\n0.225915 0.736187 0.574839 O\n0.681347 0.394149 0.820555 O\n0.322802 0.585766 0.207653 O\n0.778237 0.243735 0.453365 O\n0.156980 0.086865 0.743304 O\n0.231508 0.246648 0.159227 O\n-0.152792 0.893050 0.284899 O\n0.772605 0.733265 0.868976 O\n",
"nsites": 16,
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"elements": [
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],
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"volume": 191.3368228647376,
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"formula_full": "Zn4 Fe4 O8",
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"spacegroup": 2
},
{
"id": "jvasp-21459",
"created_at": "2022-09-04T14:38:34.339807Z",
"updated_at": "2022-09-04T14:38:34.339836Z",
"structure_string": "Nb6 Co2 S12\n1.0\n2.896823 -5.017444 0.000000\n2.896823 5.017444 -0.000000\n-0.000000 -0.000000 11.667138\nNb Co S\n6 2 12\ndirect\n0.333333 0.666666 0.004154 Nb\n0.666666 0.333333 0.504154 Nb\n0.333333 0.666666 0.495846 Nb\n0.000000 0.000000 0.000000 Nb\n0.666666 0.333333 0.995846 Nb\n0.000000 0.000000 0.500000 Nb\n0.666666 0.333333 0.250000 Co\n0.333333 0.666666 0.750000 Co\n0.331556 0.335572 0.636037 S\n0.668443 0.664427 0.136037 S\n0.995983 0.331556 0.136037 S\n0.664427 0.995983 0.636037 S\n0.335572 0.004016 0.136037 S\n0.668443 0.004016 0.363963 S\n0.331556 0.995983 0.863964 S\n0.004016 0.668443 0.636037 S\n0.664427 0.668443 0.863964 S\n0.004016 0.335572 0.863964 S\n0.335572 0.331556 0.363963 S\n0.995983 0.664427 0.363963 S\n",
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],
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"density": 5.190280476095348,
"density_atomic": 0.05897000589910919,
"volume": 339.1554688703554,
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"formula_full": "Nb6 Co2 S12",
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"formula_anonymous": "AB3C6",
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"spacegroup": 182
},
{
"id": "jvasp-21724",
"created_at": "2022-09-04T14:38:34.367365Z",
"updated_at": "2022-09-04T14:38:34.367380Z",
"structure_string": "Th2 Mn2 Se6\n1.0\n4.047230 0.000000 0.000000\n-2.023615 6.340571 -0.000000\n0.000000 -0.000000 9.354454\nTh Mn Se\n2 2 6\ndirect\n0.249616 0.499234 0.250000 Th\n0.750382 0.500766 0.750000 Th\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.080508 0.161018 0.750000 Se\n0.919490 0.838982 0.250000 Se\n0.357368 0.714739 0.942294 Se\n0.642630 0.285261 0.057706 Se\n0.642630 0.285261 0.442294 Se\n0.357368 0.714739 0.557706 Se\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.247469615988211,
"density_atomic": 0.041657701208223034,
"volume": 240.05165215468122,
"volume_molar": 14.456248389460475,
"formula_full": "Th2 Mn2 Se6",
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"spacegroup": 63
},
{
"id": "jvasp-21045",
"created_at": "2022-09-04T14:38:34.370810Z",
"updated_at": "2022-09-04T14:38:34.370834Z",
"structure_string": "Zn8 Se8 O24\n1.0\n6.261640 -0.000000 0.000000\n-0.000000 7.175826 0.000000\n0.000000 0.000000 12.139121\nZn Se O\n8 8 24\ndirect\n0.863043 0.393070 0.595069 Zn\n0.363043 0.606931 0.904931 Zn\n0.636957 0.893070 0.404931 Zn\n0.136957 0.106931 0.095069 Zn\n0.136957 0.606931 0.404931 Zn\n0.636957 0.393070 0.095069 Zn\n0.363043 0.106931 0.595069 Zn\n0.863043 0.893070 0.904931 Zn\n0.888778 0.450176 0.855554 Se\n0.388778 0.549825 0.644446 Se\n0.111222 0.049824 0.355554 Se\n0.611222 0.950176 0.144446 Se\n0.611222 0.450176 0.355554 Se\n0.388778 0.049824 0.855554 Se\n0.888778 0.950176 0.644446 Se\n0.111222 0.549825 0.144446 Se\n0.345673 0.539064 0.067602 O\n0.703419 0.038157 0.267348 O\n0.203419 0.961844 0.232652 O\n0.203419 0.461844 0.267348 O\n0.703419 0.538157 0.232652 O\n0.296581 0.961844 0.732652 O\n0.796581 0.038157 0.767348 O\n0.654327 0.960937 0.567602 O\n0.154327 0.039064 0.932398 O\n0.845673 0.460937 0.432398 O\n0.345673 0.039064 0.432398 O\n0.982922 0.849562 0.408533 O\n0.154327 0.539064 0.567602 O\n0.654327 0.460937 0.932398 O\n0.017078 0.150438 0.591467 O\n0.517078 0.849562 0.908533 O\n0.482922 0.650439 0.408533 O\n0.982922 0.349562 0.091467 O\n0.296581 0.461844 0.767348 O\n0.482922 0.150438 0.091467 O\n0.517078 0.349562 0.591467 O\n0.017078 0.650439 0.908533 O\n0.845673 0.960937 0.067602 O\n0.796581 0.538157 0.732652 O\n",
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"elements": [
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],
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"density": 4.685143240183414,
"density_atomic": 0.0733352465568386,
"volume": 545.4403152377478,
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"formula_full": "Zn8 Se8 O24",
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},
{
"id": "jvasp-57278",
"created_at": "2022-09-04T14:38:34.376000Z",
"updated_at": "2022-09-04T14:38:34.376011Z",
"structure_string": "Ta4 Ni6 S16\n1.0\n3.347752 0.000000 0.000000\n0.000000 10.137473 0.000000\n0.000000 0.000000 14.200292\nTa Ni S\n4 6 16\ndirect\n0.500000 0.201918 0.119115 Ta\n0.500000 0.701918 0.380885 Ta\n0.500000 0.298082 0.619114 Ta\n0.500000 0.798082 0.880885 Ta\n0.000000 0.500000 0.500000 Ni\n0.000000 0.869115 0.274705 Ni\n0.000000 0.130884 0.725295 Ni\n0.000000 0.630884 0.774705 Ni\n0.000000 0.369115 0.225295 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.280335 0.491795 S\n0.000000 0.780334 0.008205 S\n0.500000 0.941498 0.368721 S\n0.000000 0.027079 0.154988 S\n0.500000 0.058502 0.631279 S\n0.500000 0.441498 0.131279 S\n0.500000 0.558502 0.868721 S\n0.500000 0.753735 0.713685 S\n0.000000 0.719665 0.508205 S\n0.500000 0.246265 0.286315 S\n0.000000 0.527078 0.345012 S\n0.500000 0.253735 0.786315 S\n0.500000 0.746265 0.213685 S\n0.000000 0.972921 0.845012 S\n0.000000 0.219665 0.991795 S\n0.000000 0.472921 0.654988 S\n",
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},
{
"id": "jvasp-28827",
"created_at": "2022-09-04T14:38:34.380384Z",
"updated_at": "2022-09-04T14:38:34.380412Z",
"structure_string": "W4 Se2 S6\n1.0\n3.225604 0.000000 0.000000\n-1.612802 2.793531 0.005920\n0.000000 0.065340 30.615741\nW Se S\n4 2 6\ndirect\n0.331949 0.663897 0.068193 W\n0.334444 0.668889 0.476316 W\n0.668211 0.336424 0.271312 W\n0.665292 0.330585 0.687107 W\n0.330796 0.661593 0.743272 Se\n0.333460 0.666922 0.630884 Se\n0.333585 0.667173 0.322399 S\n0.666476 0.332953 0.017132 S\n0.669050 0.338102 0.425235 S\n0.664373 0.328747 0.119288 S\n0.666456 0.332913 0.527393 S\n0.335901 0.671804 0.220217 S\n",
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],
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"spacegroup": 156
},
{
"id": "jvasp-20868",
"created_at": "2022-09-04T14:38:34.405449Z",
"updated_at": "2022-09-04T14:38:34.405465Z",
"structure_string": "Er4 Si4 Pd8\n1.0\n5.514620 0.000000 0.000000\n-0.000000 6.976656 0.000000\n0.000000 0.000000 7.277331\nEr Si Pd\n4 4 8\ndirect\n0.142043 0.750000 0.527746 Er\n0.642043 0.250000 0.972254 Er\n0.857957 0.250000 0.472254 Er\n0.357957 0.750000 0.027746 Er\n0.857581 0.750000 0.879511 Si\n0.357581 0.250000 0.620489 Si\n0.142419 0.250000 0.120489 Si\n0.642419 0.750000 0.379511 Si\n0.908204 0.949275 0.180679 Pd\n0.408204 0.050726 0.319321 Pd\n0.091796 0.449275 0.819321 Pd\n0.591796 0.550726 0.680679 Pd\n0.091796 0.050726 0.819321 Pd\n0.591796 0.949275 0.680679 Pd\n0.908204 0.550726 0.180679 Pd\n0.408204 0.449275 0.319321 Pd\n",
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],
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},
{
"id": "jvasp-47739",
"created_at": "2022-09-04T14:38:34.408453Z",
"updated_at": "2022-09-04T14:38:34.408473Z",
"structure_string": "Li4 Cu2 F10\n1.0\n2.924130 -0.002470 -0.001821\n0.006480 7.173438 -0.000002\n0.005609 0.000304 8.487794\nLi Cu F\n4 2 10\ndirect\n0.504121 0.430705 0.141206 Li\n0.504123 0.930644 0.357961 Li\n0.504235 0.067690 0.641186 Li\n0.504196 0.567736 0.857974 Li\n0.004214 0.999244 0.999601 Cu\n0.004187 0.499189 0.499595 Cu\n0.004152 0.499195 0.999579 F\n0.504192 0.163936 0.063186 F\n0.004198 0.898245 0.203985 F\n0.004176 0.398250 0.295190 F\n0.504168 0.663893 0.436031 F\n0.004161 -0.000854 0.499589 F\n0.504235 0.334482 0.563155 F\n0.004220 0.600154 0.703988 F\n0.004262 0.100186 0.795192 F\n0.504281 0.834533 0.936050 F\n",
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{
"id": "jvasp-54567",
"created_at": "2022-09-04T14:38:34.424934Z",
"updated_at": "2022-09-04T14:38:34.424950Z",
"structure_string": "Y4 Ge10 Ru6\n1.0\n5.462472 -0.000000 1.978594\n2.105500 7.743620 2.716822\n0.020833 -0.016233 8.472143\nY Ge Ru\n4 10 6\ndirect\n0.860429 0.370904 0.908237 Y\n0.639570 0.091762 0.629096 Y\n0.139570 0.629096 0.091762 Y\n0.360429 0.908238 0.370903 Y\n0.542234 0.707765 0.707765 Ge\n0.912917 0.762855 0.411308 Ge\n0.042234 0.707765 0.707765 Ge\n0.587081 0.588692 0.237145 Ge\n0.250000 -0.000000 -0.000000 Ge\n0.750000 -0.000000 -0.000000 Ge\n0.087081 0.237146 0.588691 Ge\n0.412917 0.411309 0.762854 Ge\n0.457765 0.292235 0.292235 Ge\n0.957764 0.292235 0.292234 Ge\n0.749999 0.500000 0.499999 Ru\n0.647405 0.760321 0.944865 Ru\n0.852593 0.055135 0.239679 Ru\n0.147406 0.944866 0.760321 Ru\n0.352594 0.239679 0.055134 Ru\n0.250000 0.500000 0.500000 Ru\n",
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}
]
}