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{
"id": "jvasp-63967",
"created_at": "2022-09-04T14:38:16.061276Z",
"updated_at": "2022-09-04T14:38:16.061307Z",
"structure_string": "K1 Ba1 Te1\n1.0\n0.000000 4.117027 4.117027\n4.117027 0.000000 4.117027\n4.117027 4.117027 0.000000\nK Ba Te\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Te\n",
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{
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{
"id": "jvasp-14510",
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"nsites": 8,
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{
"id": "jvasp-77001",
"created_at": "2022-09-04T14:38:08.304635Z",
"updated_at": "2022-09-04T14:38:08.304661Z",
"structure_string": "Ba2 Li1 Hg1\n1.0\n-12.430218 -7.508740 -1.045727\n-8.945695 -4.376201 2.611130\n-5.910996 0.299013 0.545918\nBa Li Hg\n2 1 1\ndirect\n0.749989 0.000009 0.999991 Ba\n0.250012 0.999990 0.000011 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Hg\n",
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"volume": 148.4721024705098,
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"formula_full": "Ba2 Li1 Hg1",
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{
"id": "jvasp-37638",
"created_at": "2022-09-04T14:38:05.435858Z",
"updated_at": "2022-09-04T14:38:05.435881Z",
"structure_string": "Sr3 Yb1\n1.0\n0.000000 4.578885 4.578885\n4.578885 -0.000000 4.578885\n4.578885 4.578885 0.000000\nYb Sr\n1 3\ndirect\n0.749999 0.749999 0.749999 Yb\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sr\n0.250000 0.250000 0.250000 Sr\n",
"nsites": 4,
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"elements": [
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"volume": 192.00352604505056,
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{
"id": "jvasp-33819",
"created_at": "2022-09-04T14:38:05.455802Z",
"updated_at": "2022-09-04T14:38:05.455829Z",
"structure_string": "Dy2 Br6\n1.0\n9.577890 -0.000246 0.000000\n-4.789160 8.294886 -0.000010\n-0.000000 -0.000004 3.741623\nDy Br\n2 6\ndirect\n0.333337 0.666671 0.750006 Dy\n0.666665 0.333330 0.249994 Dy\n0.206400 0.412800 0.249997 Br\n0.587208 0.793603 0.249997 Br\n0.206399 0.793601 0.249997 Br\n0.793600 0.587200 0.750003 Br\n0.412792 0.206398 0.750003 Br\n0.793602 0.206399 0.750003 Br\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-10267",
"created_at": "2022-09-04T14:38:11.463099Z",
"updated_at": "2022-09-04T14:38:11.463131Z",
"structure_string": "K10 As4 Au2\n1.0\n2.849213 -4.934982 -0.000000\n2.849213 4.934982 0.000000\n-0.000000 -0.000000 19.333929\nK As Au\n10 4 2\ndirect\n0.333333 0.666666 0.549702 K\n0.666666 0.333333 0.049702 K\n0.666666 0.333333 0.450298 K\n0.333333 0.666666 0.950298 K\n0.000000 0.000000 0.148006 K\n0.000000 0.000000 0.648006 K\n0.000000 0.000000 0.851994 K\n0.000000 0.000000 0.351994 K\n0.333333 0.666666 0.750000 K\n0.666666 0.333333 0.250000 K\n0.333333 0.666666 0.119724 As\n0.666666 0.333333 0.619724 As\n0.333333 0.666666 0.380276 As\n0.666666 0.333333 0.880276 As\n0.666666 0.333333 0.750000 Au\n0.333333 0.666666 0.250000 Au\n",
"nsites": 16,
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"elements": [
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"density": 3.3125245726340817,
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"volume": 543.7015927251995,
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{
"id": "jvasp-108696",
"created_at": "2022-09-04T14:38:11.509696Z",
"updated_at": "2022-09-04T14:38:11.509720Z",
"structure_string": "Yb2 Tl2 Br6\n1.0\n7.274570 0.034543 0.000000\n-6.069962 4.009505 0.000000\n-0.000000 -0.000000 10.845157\nYb Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.256504 0.743494 0.250000 Tl\n0.743494 0.256504 0.750000 Tl\n0.635954 0.364044 0.048689 Br\n0.364044 0.635954 0.951311 Br\n0.364044 0.635954 0.548689 Br\n0.635954 0.364044 0.451311 Br\n0.937570 0.062428 0.250000 Br\n0.062428 0.937570 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Tl",
"Br"
],
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"density": 6.4330173742538985,
"density_atomic": 0.03138739280727458,
"volume": 318.5992561217867,
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"formula_full": "Yb2 Tl2 Br6",
"formula_reduced": "YbTlBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "jvasp-37918",
"created_at": "2022-09-04T14:38:05.353013Z",
"updated_at": "2022-09-04T14:38:05.353033Z",
"structure_string": "Ca6 Tl2\n1.0\n3.621002 -6.271759 0.000000\n3.621002 6.271759 0.000000\n-0.000000 -0.000000 5.574463\nCa Tl\n6 2\ndirect\n0.650628 0.825314 0.250000 Ca\n0.174685 0.825314 0.250000 Ca\n0.174685 0.349371 0.250000 Ca\n0.349371 0.174685 0.750000 Ca\n0.825314 0.174685 0.750000 Ca\n0.825314 0.650628 0.750000 Ca\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
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"elements": [
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"density": 4.257940565559536,
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"volume": 253.1926878943539,
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"formula_full": "Ca6 Tl2",
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},
{
"id": "jvasp-109888",
"created_at": "2022-09-04T14:38:11.428156Z",
"updated_at": "2022-09-04T14:38:11.428179Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n6.428489 -0.000000 3.711490\n2.142830 6.060837 3.711490\n-0.000000 -0.000000 7.422979\nRb Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.756205 0.243796 0.243795 Cl\n0.243796 0.243796 0.756205 Cl\n0.243795 0.756205 0.756204 Cl\n0.243795 0.756205 0.243795 Cl\n0.756205 0.243796 0.756205 Cl\n0.756205 0.756205 0.243795 Cl\n",
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"volume": 289.2142858403262,
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"formula_full": "Rb2 Lu1 Ag1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-108019",
"created_at": "2022-09-04T14:38:05.522447Z",
"updated_at": "2022-09-04T14:38:05.522474Z",
"structure_string": "In1 Ag3 F6\n1.0\n5.346470 -0.000000 3.086786\n1.782157 5.040701 3.086786\n-0.000000 -0.000000 6.173572\nIn Ag F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750001 Ag\n0.500000 0.500000 0.500000 Ag\n0.762056 0.237944 0.237944 F\n0.237944 0.762056 0.762056 F\n0.237944 0.762056 0.237944 F\n0.762056 0.237944 0.762056 F\n0.237944 0.237944 0.762056 F\n0.762057 0.762056 0.237945 F\n",
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{
"id": "jvasp-77362",
"created_at": "2022-09-04T14:38:05.525487Z",
"updated_at": "2022-09-04T14:38:05.525505Z",
"structure_string": "Ba1 Sr1 Zn2\n1.0\n-11.928827 -6.834277 -1.306946\n-8.622294 -3.985779 2.262089\n-5.607733 0.405891 0.416762\nBa Sr Zn\n1 1 2\ndirect\n0.500001 -0.000001 -0.000000 Ba\n0.000000 0.000000 0.000000 Sr\n0.750011 0.000091 -0.000092 Zn\n0.249991 -0.000092 0.000092 Zn\n",
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