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{
"id": "jvasp-42113",
"created_at": "2022-09-04T14:37:33.978211Z",
"updated_at": "2022-09-04T14:37:33.978233Z",
"structure_string": "Ac1 Ag2 Sn1\n1.0\n-0.000000 3.710313 3.710313\n3.710313 -0.000000 3.710313\n3.710313 3.710313 0.000000\nAc Ag Sn\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ac\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.749998 0.749998 0.749998 Sn\n",
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{
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{
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"structure_string": "Y2 Ag1 Hg1\n1.0\n-14.152834 7.229491 5.799551\n-11.505824 4.356836 6.941553\n-9.243231 7.985575 3.754667\nY Ag Hg\n2 1 1\ndirect\n0.444104 0.202717 0.103670 Y\n0.555894 0.797284 0.896332 Y\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-3888",
"created_at": "2022-09-04T14:36:12.310896Z",
"updated_at": "2022-09-04T14:36:12.310921Z",
"structure_string": "K2 Ti1 Cl6\n1.0\n5.954463 -0.000000 3.437811\n1.984821 5.613921 3.437811\n0.000000 0.000000 6.875621\nK Ti Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.241988 0.758012 0.758012 Cl\n0.241988 0.758012 0.241988 Cl\n0.758011 0.241988 0.758012 Cl\n0.758011 0.241988 0.241988 Cl\n0.758011 0.758012 0.241988 Cl\n0.241988 0.241988 0.758012 Cl\n",
"nsites": 9,
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"elements": [
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"density": 2.4476430607488484,
"density_atomic": 0.039158106409688656,
"volume": 229.8374672625432,
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"formula_full": "K2 Ti1 Cl6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
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{
"id": "jvasp-13339",
"created_at": "2022-09-04T14:36:56.030078Z",
"updated_at": "2022-09-04T14:36:56.030102Z",
"structure_string": "Nd4 Cd2 Se8\n1.0\n7.746365 0.184813 -0.000002\n-2.407878 7.364938 -0.000003\n-2.669245 -3.774879 6.218179\nNd Cd Se\n4 2 8\ndirect\n0.117155 0.750000 0.867156 Nd\n0.249999 0.617155 0.367156 Nd\n0.382844 0.250000 0.632845 Nd\n0.750000 0.882845 0.132845 Nd\n0.625000 0.375001 0.250001 Cd\n0.874999 0.124999 0.750000 Cd\n0.005466 0.879321 0.512836 Se\n0.992629 0.366485 0.487164 Se\n0.494532 0.007370 0.873856 Se\n0.120678 0.133515 0.126145 Se\n0.379322 0.505467 0.012837 Se\n0.633514 0.620679 0.626146 Se\n0.507369 0.994533 0.373856 Se\n0.866485 0.492630 0.987164 Se\n",
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"formula_full": "Nd4 Cd2 Se8",
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{
"id": "jvasp-102756",
"created_at": "2022-09-04T14:37:11.592145Z",
"updated_at": "2022-09-04T14:37:11.592172Z",
"structure_string": "Ga1 Ag1 Se2\n1.0\n4.007063 0.000000 0.000000\n0.000000 4.007063 0.000000\n0.000000 -0.000000 6.361776\nGa Ag Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ag\n-0.000000 0.500000 0.271962 Se\n0.500000 0.000000 0.728039 Se\n",
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"volume": 102.1481991544643,
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"formula_full": "Ga1 Ag1 Se2",
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{
"id": "jvasp-8707",
"created_at": "2022-09-04T14:36:47.645442Z",
"updated_at": "2022-09-04T14:36:47.645456Z",
"structure_string": "Sr2 Ag4\n1.0\n4.437432 0.000000 1.891372\n2.053508 5.629316 1.333287\n0.005322 0.031014 6.138629\nSr Ag\n2 4\ndirect\n0.958578 0.791422 0.291422 Sr\n0.041421 0.208578 0.708579 Sr\n0.663469 0.786255 0.886807 Ag\n0.336530 0.213745 0.113194 Ag\n0.336530 0.613193 0.713745 Ag\n0.663469 0.386807 0.286256 Ag\n",
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{
"id": "jvasp-40393",
"created_at": "2022-09-04T14:37:43.315505Z",
"updated_at": "2022-09-04T14:37:43.315522Z",
"structure_string": "Li1 Ce1 Tl2\n1.0\n-0.000224 3.710000 3.710083\n3.710126 -0.000239 3.710097\n3.710146 3.710036 -0.000258\nLi Ce Tl\n1 1 2\ndirect\n0.750001 0.749999 0.750003 Li\n0.249998 0.250004 0.249998 Ce\n0.999974 0.999976 0.999987 Tl\n0.500026 0.500025 0.500019 Tl\n",
"nsites": 4,
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"formula_full": "Li1 Ce1 Tl2",
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{
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"created_at": "2022-09-04T14:38:01.558497Z",
"updated_at": "2022-09-04T14:38:01.558525Z",
"structure_string": "Sm1 Tm1 Hg2\n1.0\n0.000000 3.710063 3.710063\n3.710063 0.000000 3.710063\n3.710063 3.710063 0.000000\nSm Tm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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"volume": 102.13482491815043,
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{
"id": "jvasp-38558",
"created_at": "2022-09-04T14:37:48.110583Z",
"updated_at": "2022-09-04T14:37:48.110609Z",
"structure_string": "Nd2 Zn1 Ag1\n1.0\n0.000000 3.710044 3.710044\n3.710044 0.000000 3.710044\n3.710044 3.710044 0.000000\nNd Zn Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.749999 0.749999 0.749999 Zn\n0.250000 0.250000 0.250000 Ag\n",
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{
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"created_at": "2022-09-04T14:38:00.844259Z",
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"structure_string": "Li1 Tl2 In1 Cl6\n1.0\n-0.000000 5.035304 5.035304\n5.035304 0.000000 5.035304\n5.035304 5.035304 0.000000\nLi Tl In Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Tl\n0.000000 0.000000 0.000000 In\n0.250783 0.749217 0.749217 Cl\n0.250783 0.749217 0.250783 Cl\n0.749217 0.250783 0.749217 Cl\n0.749217 0.749217 0.250783 Cl\n0.250783 0.250783 0.749217 Cl\n0.749217 0.250783 0.250783 Cl\n",
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"formula_full": "Li1 Tl2 In1 Cl6",
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{
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"updated_at": "2022-09-04T14:38:09.326371Z",
"structure_string": "Tm1 Lu1 Mg2\n1.0\n0.000000 3.710043 3.710043\n3.710043 0.000000 3.710043\n3.710043 3.710043 -0.000000\nTm Lu Mg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n",
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