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{
"id": "jvasp-105050",
"created_at": "2022-09-04T14:36:50.208866Z",
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"structure_string": "Na2 Li1 Tb1 Cl6\n1.0\n6.225001 -0.000000 3.594006\n2.075000 5.868987 3.594006\n-0.000000 -0.000000 7.188012\nTb Na Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.743106 0.256894 0.256894 Cl\n0.256893 0.256894 0.743106 Cl\n0.256893 0.743107 0.743107 Cl\n0.256893 0.743107 0.256894 Cl\n0.743106 0.256894 0.743107 Cl\n0.743106 0.743107 0.256894 Cl\n",
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{
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"structure_string": "Pr1 Eu1 Zn2\n1.0\n4.473236 -0.000000 2.582624\n1.491079 4.217407 2.582624\n-0.000000 -0.000000 5.165249\nPr Eu Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.499999 Eu\n0.250000 0.250000 0.249999 Zn\n0.750001 0.750001 0.749998 Zn\n",
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{
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"updated_at": "2022-09-04T14:37:04.709262Z",
"structure_string": "Sr1 Cd2 As2\n1.0\n2.252222 -3.900964 0.000000\n2.252222 3.900964 -0.000000\n-0.000000 -0.000000 7.435878\nSr Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666666 0.633102 Cd\n0.666666 0.333333 0.366899 Cd\n0.666666 0.333333 0.752964 As\n0.333333 0.666666 0.247037 As\n",
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{
"id": "jvasp-106417",
"created_at": "2022-09-04T14:36:57.911297Z",
"updated_at": "2022-09-04T14:36:57.911306Z",
"structure_string": "K2 Rb1 Ti1 F6\n1.0\n5.579405 -0.000000 3.221271\n1.859802 5.260313 3.221271\n-0.000000 -0.000000 6.442542\nK Rb Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ti\n0.216838 0.216838 0.783162 F\n0.216838 0.783162 0.783162 F\n0.783163 0.783162 0.216837 F\n0.216838 0.783162 0.216838 F\n0.783163 0.216838 0.783162 F\n0.783163 0.216838 0.216837 F\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.0528863101838581,
"volume": 189.08484946738048,
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"formula_full": "K2 Rb1 Ti1 F6",
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{
"id": "jvasp-104583",
"created_at": "2022-09-04T14:36:51.260402Z",
"updated_at": "2022-09-04T14:36:51.260431Z",
"structure_string": "K1 Cd3\n1.0\n4.700258 -0.000000 2.713695\n1.566753 4.431445 2.713695\n-0.000000 -0.000000 5.427390\nK Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750001 0.750001 Cd\n0.500000 0.500001 0.500001 Cd\n",
"nsites": 4,
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{
"id": "jvasp-103642",
"created_at": "2022-09-04T14:36:50.192330Z",
"updated_at": "2022-09-04T14:36:50.192345Z",
"structure_string": "Ca2 Tl2 Br6\n1.0\n7.314471 0.040535 0.000000\n-6.101615 4.034034 0.000000\n-0.000000 -0.000000 10.886444\nCa Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.256103 0.743895 0.250000 Tl\n0.743895 0.256103 0.750000 Tl\n0.636574 0.363424 0.049260 Br\n0.363424 0.636574 0.950739 Br\n0.363424 0.636574 0.549260 Br\n0.636574 0.363424 0.450740 Br\n0.935046 0.064951 0.250000 Br\n0.064952 0.935046 0.750000 Br\n",
"nsites": 10,
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"volume": 323.91692769627406,
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"formula_full": "Ca2 Tl2 Br6",
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"formula_anonymous": "ABC3",
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"spacegroup": 63
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{
"id": "jvasp-106465",
"created_at": "2022-09-04T14:36:50.185745Z",
"updated_at": "2022-09-04T14:36:50.185767Z",
"structure_string": "Rb2 Li1 Ti1 F6\n1.0\n5.059018 -0.000000 2.920825\n1.686339 4.769688 2.920825\n-0.000000 -0.000000 5.841651\nRb Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ti\n0.241949 0.241949 0.758052 F\n0.241949 0.758052 0.758052 F\n0.758052 0.758052 0.241949 F\n0.241949 0.758052 0.241949 F\n0.758052 0.241949 0.758052 F\n0.758052 0.241949 0.241949 F\n",
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"density": 4.002177363571968,
"density_atomic": 0.07094277898633565,
"volume": 140.95867321360655,
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"formula_full": "Rb2 Li1 Ti1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-106509",
"created_at": "2022-09-04T14:36:52.366835Z",
"updated_at": "2022-09-04T14:36:52.366847Z",
"structure_string": "Dy1 Ho1 Zn2\n1.0\n4.330139 -0.000000 2.500007\n1.443380 4.082494 2.500007\n-0.000000 -0.000000 5.000013\nDy Ho Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.750001 Zn\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-105081",
"created_at": "2022-09-04T14:36:52.634571Z",
"updated_at": "2022-09-04T14:36:52.634582Z",
"structure_string": "K1 Rb2 Al1 Cl6\n1.0\n6.406107 -0.000000 3.698568\n2.135369 6.039735 3.698568\n-0.000000 -0.000000 7.397135\nK Rb Al Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.777061 0.222939 0.222939 Cl\n0.222939 0.222939 0.777062 Cl\n0.222939 0.777062 0.777062 Cl\n0.222939 0.777062 0.222939 Cl\n0.777061 0.222939 0.777062 Cl\n0.777061 0.777062 0.222939 Cl\n",
"nsites": 10,
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],
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{
"id": "jvasp-106470",
"created_at": "2022-09-04T14:36:50.180193Z",
"updated_at": "2022-09-04T14:36:50.180223Z",
"structure_string": "Li1 Ag1 F2\n1.0\n2.926208 0.016162 5.811431\n1.393262 2.573281 5.811431\n0.026960 0.016162 6.506512\nLi Ag F\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Ag\n0.110186 0.110185 0.110186 F\n0.889815 0.889812 0.889814 F\n",
"nsites": 4,
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{
"id": "jvasp-8701",
"created_at": "2022-09-04T14:37:04.760785Z",
"updated_at": "2022-09-04T14:37:04.760820Z",
"structure_string": "Rb3 Br1 O1\n1.0\n5.464146 -0.000000 -0.000000\n0.000000 5.464146 0.000000\n0.000000 0.000000 5.464146\nRb Br O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:36:50.136433Z",
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"structure_string": "Th2 Hg6\n1.0\n3.399104 -5.887421 -0.000000\n3.399104 5.887421 -0.000000\n0.000000 -0.000000 5.047316\nTh Hg\n2 6\ndirect\n0.333332 0.666666 0.250000 Th\n0.666666 0.333332 0.750001 Th\n0.326543 0.163271 0.250000 Hg\n0.163271 0.326543 0.750001 Hg\n0.163271 0.836728 0.750001 Hg\n0.836728 0.163271 0.250000 Hg\n0.836727 0.673456 0.250000 Hg\n0.673456 0.836727 0.750001 Hg\n",
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