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{
"id": "jvasp-18721",
"created_at": "2022-09-04T14:36:56.235309Z",
"updated_at": "2022-09-04T14:36:56.235333Z",
"structure_string": "Mg1 Cd1 Ag2\n1.0\n4.088641 -0.000000 2.360578\n1.362880 3.854808 2.360578\n0.000000 -0.000000 4.721156\nMg Cd Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750001 Ag\n0.250000 0.250000 0.250000 Ag\n",
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{
"id": "jvasp-39394",
"created_at": "2022-09-04T14:37:47.309846Z",
"updated_at": "2022-09-04T14:37:47.309869Z",
"structure_string": "Lu2 Cd1 Ag1\n1.0\n0.000000 3.587433 3.587433\n3.587433 -0.000000 3.587433\n3.587433 3.587433 0.000000\nLu Cd Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Lu\n0.749999 0.749999 0.749999 Cd\n0.250001 0.250001 0.250001 Ag\n",
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{
"id": "jvasp-39893",
"created_at": "2022-09-04T14:37:40.926212Z",
"updated_at": "2022-09-04T14:37:40.926237Z",
"structure_string": "Lu1 Cd1 Ag2\n1.0\n0.000000 3.432112 3.432112\n3.432112 -0.000000 3.432112\n3.432112 3.432112 -0.000000\nLu Cd Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250001 0.250001 0.250001 Cd\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n",
"nsites": 4,
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"elements": [
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"density": 10.332406748104322,
"density_atomic": 0.04947042489593707,
"volume": 80.85639062963686,
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"formula_full": "Lu1 Cd1 Ag2",
"formula_reduced": "LuCdAg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40307",
"created_at": "2022-09-04T14:37:55.499567Z",
"updated_at": "2022-09-04T14:37:55.499584Z",
"structure_string": "Li1 Cd2 Ag1\n1.0\n-0.000000 3.336751 3.336751\n3.336751 -0.000000 3.336751\n3.336751 3.336751 0.000000\nLi Cd Ag\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 7.590236070996049,
"density_atomic": 0.05383424142065132,
"volume": 74.30215220726716,
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"formula_full": "Li1 Cd2 Ag1",
"formula_reduced": "LiCd2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40583",
"created_at": "2022-09-04T14:37:57.397950Z",
"updated_at": "2022-09-04T14:37:57.397974Z",
"structure_string": "Li1 Cd1 Ag2\n1.0\n-0.000000 3.285829 3.285829\n3.285829 -0.000000 3.285829\n3.285829 3.285829 -0.000000\nLi Cd Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Cd\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Cd-Li",
"density": 7.84230305073799,
"density_atomic": 0.05637611193994468,
"volume": 70.95203734980957,
"volume_molar": 10.682078903233265,
"formula_full": "Li1 Cd1 Ag2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-101403",
"created_at": "2022-09-04T14:36:42.175708Z",
"updated_at": "2022-09-04T14:36:42.175731Z",
"structure_string": "Li2 Cd1 Ag1\n1.0\n3.939279 0.000000 2.274343\n1.313093 3.713988 2.274343\n0.000000 0.000000 4.548688\nLi Cd Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 5.842794965634258,
"density_atomic": 0.06010583090115431,
"volume": 66.54928382203234,
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"formula_full": "Li2 Cd1 Ag1",
"formula_reduced": "Li2CdAg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40327",
"created_at": "2022-09-04T14:37:45.453839Z",
"updated_at": "2022-09-04T14:37:45.453867Z",
"structure_string": "La1 Cd1 Ag2\n1.0\n-0.000000 3.611459 3.611459\n3.611459 -0.000000 3.611459\n3.611459 3.611459 -0.000000\nLa Cd Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 La\n0.249999 0.249999 0.249999 Cd\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Ag"
],
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"density": 8.232601248267349,
"density_atomic": 0.04246018961849072,
"volume": 94.20589111684195,
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"formula_full": "La1 Cd1 Ag2",
"formula_reduced": "LaCdAg2",
"formula_anonymous": "ABC2",
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{
"id": "jvasp-106373",
"created_at": "2022-09-04T14:38:39.029642Z",
"updated_at": "2022-09-04T14:38:39.029651Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n7.297240 -0.011318 3.274498\n5.836117 4.380591 3.274498\n0.004193 0.001395 6.549384\nCd In Ag Te\n1 1 1 3\ndirect\n0.664553 0.664551 0.336109 Cd\n0.335384 0.335382 0.652533 In\n-0.000473 -0.000473 0.011552 Ag\n0.500921 0.500919 0.241421 Te\n0.162952 0.162950 0.592697 Te\n0.836672 0.836669 0.915687 Te\n",
"nsites": 6,
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],
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"density_atomic": 0.028608932476435544,
"volume": 209.72470765702457,
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"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
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"spacegroup": 8
},
{
"id": "jvasp-111096",
"created_at": "2022-09-04T14:38:38.191080Z",
"updated_at": "2022-09-04T14:38:38.191103Z",
"structure_string": "Cd2 In1 Ag1 S4\n1.0\n7.091648 0.002711 3.491015\n5.873652 3.973875 3.491015\n-0.037354 -0.011457 7.218946\nCd In Ag S\n2 1 1 4\ndirect\n0.494739 0.494738 0.175433 Cd\n0.004407 0.004406 0.648309 Cd\n0.753155 0.753152 0.599658 In\n0.246886 0.246885 0.072776 Ag\n0.061099 0.061098 0.263274 S\n0.566816 0.566813 0.770498 S\n0.817878 0.817874 0.855153 S\n0.302822 0.302820 0.366897 S\n",
"nsites": 8,
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],
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"density_atomic": 0.0392366384642227,
"volume": 203.8910649110441,
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"formula_full": "Cd2 In1 Ag1 S4",
"formula_reduced": "Cd2InAgS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 8
},
{
"id": "jvasp-35528",
"created_at": "2022-09-04T14:37:45.977682Z",
"updated_at": "2022-09-04T14:37:45.977694Z",
"structure_string": "Cd1 Ag2 I4\n1.0\n6.412628 0.000000 0.000000\n-0.000000 6.412628 -0.000000\n-3.206314 -3.206314 6.335271\nCd Ag I\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750001 0.500000 Ag\n0.750001 0.250000 0.500000 Ag\n0.383659 0.383659 0.231242 I\n0.847583 0.847583 0.231242 I\n0.152417 0.616342 0.768758 I\n0.616342 0.152417 0.768758 I\n",
"nsites": 7,
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"density": 5.327164793551711,
"density_atomic": 0.02686957201033747,
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"formula_anonymous": "AB2C4",
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"spacegroup": 121
},
{
"id": "jvasp-41158",
"created_at": "2022-09-04T14:38:04.914692Z",
"updated_at": "2022-09-04T14:38:04.914721Z",
"structure_string": "Ho1 Cd1 Ag2\n1.0\n0.000004 3.466391 3.466384\n3.466386 0.000001 3.466387\n3.466383 3.466390 0.000004\nHo Cd Ag\n1 1 2\ndirect\n0.750000 0.749999 0.750000 Ho\n0.250000 0.250000 0.250000 Cd\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-108799",
"created_at": "2022-09-04T14:38:27.927055Z",
"updated_at": "2022-09-04T14:38:27.927074Z",
"structure_string": "Cd2 Ga1 Ag1 Se4\n1.0\n4.223239 -0.000000 0.000000\n0.000000 7.053313 0.054916\n-0.000000 0.013289 7.504859\nCd Ga Ag Se\n2 1 1 4\ndirect\n0.500000 0.004341 0.170599 Cd\n0.500000 0.461450 0.819639 Cd\n-0.000000 0.480056 0.337774 Ga\n-0.000000 0.979797 0.671047 Ag\n0.500000 0.605445 0.175980 Se\n0.500000 0.093894 0.837085 Se\n-0.000000 0.134863 0.348384 Se\n-0.000000 0.608953 0.639494 Se\n",
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}