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{
"id": "jvasp-18016",
"created_at": "2022-09-04T14:38:13.224844Z",
"updated_at": "2022-09-04T14:38:13.224862Z",
"structure_string": "Mn2 V1 Ga1\n1.0\n3.553486 -0.000000 2.051607\n1.184495 3.350259 2.051607\n-0.000000 -0.000000 4.103212\nMn V Ga\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Mn\n0.750002 0.750000 0.750000 Mn\n0.500001 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Al1 Cr1 Cu2\n1.0\n3.642454 -0.000000 2.102972\n1.214151 3.434139 2.102972\n-0.000000 0.000000 4.205944\nAl Cr Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.499999 Cr\n0.250000 0.250000 0.250000 Cu\n0.749999 0.750000 0.749999 Cu\n",
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{
"id": "jvasp-109952",
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"structure_string": "Er1 Mg1 Au2\n1.0\n4.206813 -0.000000 2.428805\n1.402271 3.966221 2.428805\n-0.000000 -0.000000 4.857609\nEr Mg Au\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Er\n0.000000 0.000000 0.000000 Mg\n0.749999 0.750000 0.749999 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"density": 11.995578647215693,
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"formula_full": "Er1 Mg1 Au2",
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},
{
"id": "jvasp-16517",
"created_at": "2022-09-04T14:38:13.232100Z",
"updated_at": "2022-09-04T14:38:13.232126Z",
"structure_string": "Tm2 Ga4 Pd2\n1.0\n4.397400 0.000000 0.000000\n-2.198700 5.019518 -0.000000\n0.000000 -0.000000 6.555270\nTm Ga Pd\n2 4 2\ndirect\n0.089374 0.178749 0.750000 Tm\n0.910626 0.821252 0.250000 Tm\n0.373881 0.747763 0.948267 Ga\n0.626119 0.252238 0.051733 Ga\n0.626119 0.252238 0.448267 Ga\n0.373881 0.747763 0.551733 Ga\n0.800579 0.601158 0.750000 Pd\n0.199421 0.398842 0.250000 Pd\n",
"nsites": 8,
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"elements": [
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"Pd"
],
"chemical_system": "Ga-Pd-Tm",
"density": 9.520713325230744,
"density_atomic": 0.05528934115048879,
"volume": 144.69335017440835,
"volume_molar": 10.892046522328222,
"formula_full": "Tm2 Ga4 Pd2",
"formula_reduced": "TmGa2Pd",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-36806",
"created_at": "2022-09-04T14:38:13.218951Z",
"updated_at": "2022-09-04T14:38:13.218965Z",
"structure_string": "Ag2 As2 O4\n1.0\n2.551539 3.145221 1.959806\n-0.030194 0.044610 -5.196979\n-5.608525 3.204289 2.159485\nAg As O\n2 2 4\ndirect\n0.366661 0.768135 0.168154 Ag\n0.598526 0.231863 0.831845 Ag\n0.263647 0.671868 0.667567 As\n0.591778 0.328131 0.332431 As\n0.201971 0.446749 0.821830 O\n0.755221 0.553250 0.178169 O\n0.824982 0.581022 0.598681 O\n0.243958 0.418976 0.401318 O\n",
"nsites": 8,
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"elements": [
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"density": 5.28719825233319,
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"volume": 134.91639402888967,
"volume_molar": 10.156068945919964,
"formula_full": "Ag2 As2 O4",
"formula_reduced": "AgAsO2",
"formula_anonymous": "ABC2",
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"spacegroup": 5
},
{
"id": "jvasp-76945",
"created_at": "2022-09-04T14:38:13.204567Z",
"updated_at": "2022-09-04T14:38:13.204591Z",
"structure_string": "Sr2 Cd1 Ag1\n1.0\n-11.747654 -0.000008 -6.782497\n-7.438103 -1.217065 -0.681853\n-5.821519 3.355302 -3.481840\nSr Cd Ag\n2 1 1\ndirect\n0.775016 -0.000001 -0.000000 Sr\n0.224985 0.000000 -0.000001 Sr\n0.500001 -0.000001 -0.000001 Cd\n-0.000000 0.000000 0.000000 Ag\n",
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},
{
"id": "jvasp-37089",
"created_at": "2022-09-04T14:38:05.395224Z",
"updated_at": "2022-09-04T14:38:05.395249Z",
"structure_string": "Si1 Hg1 P2\n1.0\n3.328477 3.328477 0.000000\n3.328477 -0.000000 -3.328477\n-0.000000 3.328477 -3.328477\nSi Hg P\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 P\n0.750001 0.750001 0.750001 P\n",
"nsites": 4,
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"spacegroup": 225
},
{
"id": "jvasp-9577",
"created_at": "2022-09-04T14:38:13.166606Z",
"updated_at": "2022-09-04T14:38:13.166623Z",
"structure_string": "Er4 Ag4 Se8\n1.0\n4.201839 0.000000 0.000000\n0.000000 6.771065 0.000000\n0.000000 0.000000 13.691594\nEr Ag Se\n4 4 8\ndirect\n0.215651 0.292322 0.127739 Er\n0.715652 0.207679 0.872261 Er\n0.784349 0.792322 0.372261 Er\n0.284349 0.707679 0.627739 Er\n0.508484 0.708560 0.872734 Ag\n0.491516 0.208559 0.627265 Ag\n0.008484 0.791442 0.127265 Ag\n0.991516 0.291441 0.372735 Ag\n0.776640 0.510849 0.526851 Se\n0.276640 0.989152 0.473149 Se\n0.223360 0.010849 0.973149 Se\n0.723361 0.489151 0.026851 Se\n0.784150 0.913874 0.725793 Se\n0.715851 0.086126 0.225793 Se\n0.215851 0.413874 0.774207 Se\n0.284149 0.586127 0.274207 Se\n",
"nsites": 16,
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"elements": [
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],
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"density": 7.384037959608627,
"density_atomic": 0.04107424408730822,
"volume": 389.53851386747584,
"volume_molar": 14.661598512194697,
"formula_full": "Er4 Ag4 Se8",
"formula_reduced": "ErAgSe2",
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},
{
"id": "jvasp-108634",
"created_at": "2022-09-04T14:38:05.108990Z",
"updated_at": "2022-09-04T14:38:05.109012Z",
"structure_string": "Ho2 Mg1 Cd1\n1.0\n4.550303 -0.000000 2.627119\n1.516768 4.290067 2.627119\n-0.000000 -0.000000 5.254238\nHo Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750001 Ho\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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],
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"density": 7.553669101056759,
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"volume": 102.56853032846963,
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"formula_full": "Ho2 Mg1 Cd1",
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},
{
"id": "jvasp-17293",
"created_at": "2022-09-04T14:38:30.512023Z",
"updated_at": "2022-09-04T14:38:30.512054Z",
"structure_string": "Mg4 Si2 Pt2\n1.0\n2.157104 -3.736214 -0.000000\n2.157104 3.736214 -0.000000\n0.000000 0.000000 8.520476\nMg Si Pt\n4 2 2\ndirect\n0.333332 0.666666 0.416706 Mg\n0.666666 0.333332 0.916707 Mg\n0.666666 0.333332 0.583294 Mg\n0.333332 0.666666 0.083294 Mg\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n0.666666 0.333332 0.250000 Pt\n0.333332 0.666666 0.750000 Pt\n",
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"elements": [
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"density": 6.572023499782949,
"density_atomic": 0.05824964812636412,
"volume": 137.3398854297826,
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"formula_full": "Mg4 Si2 Pt2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-38822",
"created_at": "2022-09-04T14:38:05.436033Z",
"updated_at": "2022-09-04T14:38:05.436055Z",
"structure_string": "Yb3 Al6 Cu3\n1.0\n-2.735760 4.737776 0.000308\n-5.470915 0.000350 0.000308\n-0.000281 -3.158121 8.541588\nYb Al Cu\n3 6 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.289748 0.855113 0.434633 Yb\n0.710254 0.144885 0.565367 Yb\n0.658243 0.419989 0.238255 Al\n0.658266 0.921746 0.238255 Al\n0.160003 0.420013 0.238255 Al\n0.839999 0.579986 0.761746 Al\n0.341734 0.078251 0.761746 Al\n0.341757 0.580010 0.761746 Al\n0.669649 0.665145 0.004503 Cu\n0.000000 0.500001 0.500000 Cu\n0.330353 0.334853 0.995499 Cu\n",
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{
"id": "jvasp-9455",
"created_at": "2022-09-04T14:38:05.442269Z",
"updated_at": "2022-09-04T14:38:05.442304Z",
"structure_string": "Ca4 Co4 O8\n1.0\n3.245027 -0.001667 -0.002177\n0.003644 6.930588 0.227930\n0.006218 1.055417 8.552747\nCa Co O\n4 4 8\ndirect\n0.741937 0.755265 0.965035 Ca\n0.241940 0.216535 0.055047 Ca\n0.741947 0.886403 0.349212 Ca\n0.241933 0.085394 0.670872 Ca\n0.741946 0.417917 0.759713 Co\n0.241941 0.653134 0.650504 Co\n0.741948 0.318661 0.369579 Co\n0.241939 0.553882 0.260371 Co\n0.741945 0.435076 0.152285 O\n0.741939 0.313838 0.578181 O\n0.241945 0.657957 0.441901 O\n0.241934 0.536722 0.867798 O\n0.741937 0.139004 0.885151 O\n0.741934 0.842363 0.665606 O\n0.241945 0.832795 0.134932 O\n0.241949 0.129437 0.354476 O\n",
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}