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{
"id": "jvasp-113540",
"created_at": "2022-09-04T14:38:49.273156Z",
"updated_at": "2022-09-04T14:38:49.273166Z",
"structure_string": "Ca1 Ag1\n1.0\n3.103347 -0.000000 0.000000\n-0.000000 3.103347 -0.000000\n0.000000 -0.000000 5.910702\nCa Ag\n1 1\ndirect\n0.000000 0.000000 0.749997 Ca\n0.000000 0.000000 0.250003 Ag\n",
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{
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"structure_string": "Ca1 Ag3\n1.0\n3.939816 -0.171633 -3.365287\n-0.947155 3.828121 -3.365287\n0.140474 0.171633 5.179534\nCa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750001 0.250000 0.500000 Ag\n0.250001 0.750000 0.499999 Ag\n0.500001 0.500000 0.000000 Ag\n",
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{
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"structure_string": "Ca2 Ag4\n1.0\n4.315461 -0.000000 1.851651\n1.898075 5.407034 1.530978\n0.009986 0.038284 5.931360\nCa Ag\n2 4\ndirect\n0.957360 0.292640 0.292640 Ca\n0.042642 0.707359 0.707360 Ca\n0.662762 0.290921 0.883557 Ag\n0.337241 0.709078 0.116443 Ag\n0.337241 0.116442 0.709078 Ag\n0.662762 0.883556 0.290922 Ag\n",
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{
"id": "jvasp-36266",
"created_at": "2022-09-04T14:37:19.152982Z",
"updated_at": "2022-09-04T14:37:19.153012Z",
"structure_string": "Ag1 C1\n1.0\n2.458047 2.458047 0.000000\n2.458047 0.000000 -2.458047\n-0.000000 2.458047 -2.458047\nAg C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750001 0.750001 0.750001 C\n",
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"volume": 29.703015634026546,
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"spacegroup": 216
},
{
"id": "jvasp-36218",
"created_at": "2022-09-04T14:36:36.574414Z",
"updated_at": "2022-09-04T14:36:36.574441Z",
"structure_string": "Ag1 C1\n1.0\n2.320924 2.320924 0.000000\n2.320924 -0.000000 -2.320924\n0.000000 2.320924 -2.320924\nAg C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 C\n",
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"elements": [
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"density": 7.961210234609238,
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"volume": 25.004187911739702,
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},
{
"id": "jvasp-40814",
"created_at": "2022-09-04T14:37:46.392313Z",
"updated_at": "2022-09-04T14:37:46.392326Z",
"structure_string": "Zr1 Ag1 B1\n1.0\n3.724709 -0.000000 2.150462\n1.241570 3.511689 2.150462\n-0.000000 -0.000000 4.300923\nZr Ag B\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Zr\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.499999 B\n",
"nsites": 3,
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"elements": [
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{
"id": "jvasp-36880",
"created_at": "2022-09-04T14:37:14.996211Z",
"updated_at": "2022-09-04T14:37:14.996242Z",
"structure_string": "Tl1 Ag1 Br3\n1.0\n5.334201 -0.006722 -0.008246\n-0.000255 5.331730 -0.004026\n0.006679 0.004952 5.331359\nTl Ag Br\n1 1 3\ndirect\n0.020703 0.994496 0.995619 Tl\n0.481856 0.501045 0.498470 Ag\n0.477881 0.001132 0.498565 Br\n0.981339 0.501708 0.498845 Br\n0.478217 0.501615 0.998497 Br\n",
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],
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"volume": 151.62701063338102,
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"formula_full": "Tl1 Ag1 Br3",
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"formula_anonymous": "ABC3",
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"spacegroup": 99
},
{
"id": "jvasp-36969",
"created_at": "2022-09-04T14:38:34.199750Z",
"updated_at": "2022-09-04T14:38:34.199777Z",
"structure_string": "Tl2 Ag2 Br6\n1.0\n6.492793 -0.055255 3.575430\n2.087553 6.148295 3.575430\n-0.077811 -0.055255 7.411748\nTl Ag Br\n2 2 6\ndirect\n0.255485 0.255486 0.255485 Tl\n0.755484 0.755487 0.755485 Tl\n0.005763 0.005763 0.005763 Ag\n0.505762 0.505764 0.505763 Ag\n0.255718 0.812323 0.699211 Br\n0.812321 0.699212 0.255718 Br\n0.699210 0.255720 0.812322 Br\n0.199211 0.312323 0.755718 Br\n0.755718 0.199212 0.312322 Br\n0.312321 0.755719 0.199211 Br\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.03340848342329245,
"volume": 299.3251705950825,
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"formula_full": "Tl2 Ag2 Br6",
"formula_reduced": "TlAgBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 167
},
{
"id": "jvasp-119414",
"created_at": "2022-09-04T14:38:32.789407Z",
"updated_at": "2022-09-04T14:38:32.789433Z",
"structure_string": "Ag12 S4 Br4\n1.0\n6.760810 0.119213 0.000000\n-0.004782 6.761859 0.000000\n0.000000 -0.000000 9.897123\nAg S Br\n12 4 4\ndirect\n0.550622 -0.000893 0.750000 Ag\n0.671411 0.328589 0.500000 Ag\n0.671411 0.328589 -0.000000 Ag\n0.328589 0.671411 -0.000000 Ag\n0.793469 0.793468 0.423061 Ag\n0.206532 0.206532 0.576938 Ag\n0.328589 0.671411 0.500000 Ag\n0.206532 0.206532 -0.076938 Ag\n-0.000893 0.550622 0.750000 Ag\n0.449378 0.000893 0.250000 Ag\n0.000893 0.449378 0.250000 Ag\n0.793469 0.793468 0.076938 Ag\n0.500000 -0.000000 -0.000000 S\n0.000000 0.500000 -0.000000 S\n0.500000 -0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.519012 0.519012 0.750000 Br\n-0.021374 -0.021374 0.750000 Br\n0.021374 0.021374 0.250000 Br\n0.480988 0.480988 0.250000 Br\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ag-Br-S",
"density": 6.394276519483495,
"density_atomic": 0.04420290080941518,
"volume": 452.45899327358217,
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"formula_full": "Ag12 S4 Br4",
"formula_reduced": "Ag3SBr",
"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "jvasp-105667",
"created_at": "2022-09-04T14:35:41.330637Z",
"updated_at": "2022-09-04T14:35:41.330656Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.028906965206048317,
"volume": 345.93738667204195,
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"formula_full": "Rb2 Y1 Ag1 Br6",
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{
"id": "jvasp-99714",
"created_at": "2022-09-04T14:36:18.415366Z",
"updated_at": "2022-09-04T14:36:18.415392Z",
"structure_string": "Rb2 Ta1 Ag1 Br6\n1.0\n6.642942 -0.000000 3.835304\n2.214314 6.263026 3.835304\n0.000000 0.000000 7.670609\nRb Ta Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.741994 0.258005 0.258005 Br\n0.258005 0.258005 0.741995 Br\n0.258005 0.741995 0.741994 Br\n0.258005 0.741995 0.258005 Br\n0.741994 0.258005 0.741994 Br\n0.741994 0.741995 0.258005 Br\n",
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"volume": 319.13506200265726,
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"formula_full": "Rb2 Ta1 Ag1 Br6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-109885",
"created_at": "2022-09-04T14:38:07.114089Z",
"updated_at": "2022-09-04T14:38:07.114118Z",
"structure_string": "Rb2 Sc1 Ag1 Br6\n1.0\n6.675413 -0.000000 3.854051\n2.225138 6.293639 3.854051\n-0.000000 -0.000000 7.708103\nRb Sc Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.757475 0.242525 0.242524 Br\n0.242525 0.242525 0.757475 Br\n0.242525 0.757475 0.757475 Br\n0.242525 0.757475 0.242524 Br\n0.757475 0.242525 0.757475 Br\n0.757475 0.757475 0.242524 Br\n",
"nsites": 10,
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}