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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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"elements": [
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{
"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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},
{
"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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],
"chemical_system": "Ag-B-Zr",
"density": 6.195810039468587,
"density_atomic": 0.05332749599738627,
"volume": 56.2561572391668,
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"formula_full": "Zr1 Ag1 B1",
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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",
"nsites": 2,
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"elements": [
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"C"
],
"chemical_system": "Ag-C",
"density": 7.961210234609238,
"density_atomic": 0.07998660092699836,
"volume": 25.004187911739702,
"volume_molar": 7.5289369596993465,
"formula_full": "Ag1 C1",
"formula_reduced": "AgC",
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"spacegroup": 225
},
{
"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",
"nsites": 2,
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"elements": [
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],
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"density": 6.701797526679267,
"density_atomic": 0.0673332305595558,
"volume": 29.703015634026546,
"volume_molar": 8.943787057229425,
"formula_full": "Ag1 C1",
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"spacegroup": 216
},
{
"id": "jvasp-93693",
"created_at": "2022-09-04T14:36:05.902887Z",
"updated_at": "2022-09-04T14:36:05.902913Z",
"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",
"nsites": 6,
"nelements": 2,
"elements": [
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"Ag"
],
"chemical_system": "Ag-Ca",
"density": 6.14821797047966,
"density_atomic": 0.04342066051111888,
"volume": 138.18306606514102,
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"formula_full": "Ca2 Ag4",
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"spacegroup": 74
},
{
"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",
"nsites": 2,
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"elements": [
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"chemical_system": "Ag-Ca",
"density": 4.31571910784695,
"density_atomic": 0.03513421494713279,
"volume": 56.92456777558408,
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"formula_full": "Ca1 Ag1",
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"spacegroup": 123
},
{
"id": "jvasp-107163",
"created_at": "2022-09-04T14:36:57.811521Z",
"updated_at": "2022-09-04T14:36:57.811550Z",
"structure_string": "Ca3 Ag1\n1.0\n4.976409 -0.000000 0.000000\n0.000000 4.976409 0.000000\n-0.000000 -0.000000 4.976409\nCa Ag\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 3.0734798549970628,
"density_atomic": 0.032457255241226064,
"volume": 123.2390098999912,
"volume_molar": 18.554066618519514,
"formula_full": "Ca3 Ag1",
"formula_reduced": "Ca3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-107898",
"created_at": "2022-09-04T14:36:03.987112Z",
"updated_at": "2022-09-04T14:36:03.987137Z",
"structure_string": "Ca1 Ag3\n1.0\n4.237288 0.000000 2.446400\n1.412429 3.994954 2.446400\n-0.000000 -0.000000 4.892799\nCa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ag\n0.750001 0.749999 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 7.291459696571355,
"density_atomic": 0.04829507560031084,
"volume": 82.82417928287195,
"volume_molar": 12.46947164932327,
"formula_full": "Ca1 Ag3",
"formula_reduced": "CaAg3",
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"spacegroup": 225
},
{
"id": "jvasp-99384",
"created_at": "2022-09-04T14:36:20.444698Z",
"updated_at": "2022-09-04T14:36:20.444721Z",
"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",
"nsites": 4,
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"density": 7.365669233857941,
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"volume": 81.98972095660473,
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"formula_full": "Ca1 Ag3",
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"spacegroup": 139
},
{
"id": "jvasp-14766",
"created_at": "2022-09-04T14:38:07.799122Z",
"updated_at": "2022-09-04T14:38:07.799139Z",
"structure_string": "Ca2 Ag2\n1.0\n3.796300 -0.000000 -1.344627\n-0.000000 4.660555 0.000000\n-0.023404 -0.000000 5.965307\nCa Ag\n2 2\ndirect\n0.859524 0.250000 0.719046 Ca\n0.140477 0.749999 0.280954 Ca\n0.577919 0.250000 0.155837 Ag\n0.422082 0.749999 0.844164 Ag\n",
"nsites": 4,
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],
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"density": 4.661824004272796,
"density_atomic": 0.03795185055348423,
"volume": 105.39670507931986,
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"formula_full": "Ca2 Ag2",
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"energy_above_hull": 0.0,
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},
{
"id": "jvasp-80165",
"created_at": "2022-09-04T14:37:15.487635Z",
"updated_at": "2022-09-04T14:37:15.487663Z",
"structure_string": "Ca2 Cd1 Ag1\n1.0\n-8.732372 -1.930096 -8.193523\n-3.622746 -1.739804 -7.547525\n-4.377570 -3.874808 -6.240110\nCa Cd Ag\n2 1 1\ndirect\n0.750351 0.002017 0.002025 Ca\n0.249648 -0.002018 -0.002023 Ca\n0.500000 -0.000001 0.000001 Cd\n-0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"spacegroup": 12
}
]
}