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{
"id": "jvasp-71727",
"created_at": "2022-09-04T14:36:14.342675Z",
"updated_at": "2022-09-04T14:36:14.342697Z",
"structure_string": "Be1 Si1 Ir2\n1.0\n-1.762388 1.762388 4.120512\n1.762388 -1.762388 4.120512\n1.762388 1.762388 -4.120512\nBe Si Ir\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ir\n0.250000 0.750000 0.500000 Ir\n",
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{
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"structure_string": "Be1 Si1 Ir2\n1.0\n0.000000 2.900389 2.900389\n2.900389 0.000000 2.900389\n2.900389 2.900389 0.000000\nBe Si Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
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{
"id": "jvasp-67978",
"created_at": "2022-09-04T14:36:02.422913Z",
"updated_at": "2022-09-04T14:36:02.422936Z",
"structure_string": "Be1 Si2 Ir1\n1.0\n-1.854344 1.854344 3.657675\n1.854344 -1.854344 3.657675\n1.854344 1.854344 -3.657675\nBe Si Ir\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.749999 0.499999 Si\n0.749999 0.250000 0.499999 Ir\n",
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"chemical_system": "Be-Ir-Si",
"density": 8.495955618052893,
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"volume": 50.30900315118491,
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"formula_full": "Be1 Si2 Ir1",
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"spacegroup": 119
},
{
"id": "jvasp-64961",
"created_at": "2022-09-04T14:36:06.062502Z",
"updated_at": "2022-09-04T14:36:06.062531Z",
"structure_string": "Be1 Ir4 Se1\n1.0\n-0.000000 3.675521 3.675521\n3.675521 0.000000 3.675521\n3.675521 3.675521 -0.000000\nBe Ir Se\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625260 0.124218 0.625260 Ir\n0.124218 0.625260 0.625260 Ir\n0.625260 0.625260 0.625260 Ir\n0.625260 0.625260 0.124218 Ir\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
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"elements": [
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"Ir",
"Se"
],
"chemical_system": "Be-Ir-Se",
"density": 14.327228960434427,
"density_atomic": 0.060417747446607,
"volume": 99.30856831930687,
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"formula_full": "Be1 Ir4 Se1",
"formula_reduced": "BeIr4Se",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-71924",
"created_at": "2022-09-04T14:35:41.789568Z",
"updated_at": "2022-09-04T14:35:41.789583Z",
"structure_string": "Be1 Ir2 Se1\n1.0\n-1.812699 1.812699 4.336261\n1.812699 -1.812699 4.336261\n1.812699 1.812699 -4.336261\nBe Ir Se\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Ir-Se",
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"density_atomic": 0.07018320471147116,
"volume": 56.99369267112159,
"volume_molar": 8.580600992441866,
"formula_full": "Be1 Ir2 Se1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-70997",
"created_at": "2022-09-04T14:35:47.409746Z",
"updated_at": "2022-09-04T14:35:47.409765Z",
"structure_string": "Be1 Ir1 Se2\n1.0\n3.012999 0.000000 -0.000000\n0.000000 3.012999 0.000000\n-0.000000 0.000000 7.552613\nBe Ir Se\n1 1 2\ndirect\n0.000000 0.000000 0.544894 Be\n0.500000 0.500000 0.676192 Ir\n0.000000 0.000000 0.934026 Se\n0.500000 0.500000 0.344886 Se\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.698187641410783,
"density_atomic": 0.058339779653537,
"volume": 68.56385169355863,
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"formula_full": "Be1 Ir1 Se2",
"formula_reduced": "BeIrSe2",
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"spacegroup": 99
},
{
"id": "jvasp-70978",
"created_at": "2022-09-04T14:35:41.560892Z",
"updated_at": "2022-09-04T14:35:41.560914Z",
"structure_string": "Sc2 Be1 Ir1\n1.0\n3.037344 0.000000 0.000000\n0.000000 3.037344 -0.000000\n0.000000 0.000000 7.341559\nSc Be Ir\n2 1 1\ndirect\n0.000000 0.000000 0.942126 Sc\n0.499999 0.499999 0.306539 Sc\n0.000000 0.000000 0.557002 Be\n0.499999 0.499999 0.694334 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.137994671293217,
"density_atomic": 0.05905867986114293,
"volume": 67.72924842554363,
"volume_molar": 10.196876689690804,
"formula_full": "Sc2 Be1 Ir1",
"formula_reduced": "Sc2BeIr",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-68383",
"created_at": "2022-09-04T14:36:09.839937Z",
"updated_at": "2022-09-04T14:36:09.839967Z",
"structure_string": "Sc1 Be2 Ir2\n1.0\n-2.063387 2.063387 4.072372\n2.063387 -2.063387 4.072372\n2.063387 2.063387 -4.072372\nSc Be Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.641955 0.641955 0.000000 Be\n0.358044 0.358044 0.000000 Be\n0.750001 0.250000 0.500001 Ir\n0.250000 0.750001 0.500001 Ir\n",
"nsites": 5,
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"Be",
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],
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"density": 10.712482382625595,
"density_atomic": 0.0720943432965978,
"volume": 69.35356882897018,
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"formula_full": "Sc1 Be2 Ir2",
"formula_reduced": "Sc(BeIr)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-69651",
"created_at": "2022-09-04T14:36:06.349457Z",
"updated_at": "2022-09-04T14:36:06.349475Z",
"structure_string": "Be2 Sb1 Ir1\n1.0\n-1.901230 1.901230 3.825142\n1.901230 -1.901230 3.825142\n1.901230 1.901230 -3.825142\nBe Sb Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Sb\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.968093317766892,
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},
{
"id": "jvasp-107162",
"created_at": "2022-09-04T14:36:57.216239Z",
"updated_at": "2022-09-04T14:36:57.216263Z",
"structure_string": "Be2 Ir1 Ru1\n1.0\n3.422132 -0.000000 1.975769\n1.140711 3.226417 1.975769\n-0.000000 -0.000000 3.951538\nBe Ir Ru\n2 1 1\ndirect\n0.749999 0.750001 0.750001 Be\n0.250000 0.250000 0.250000 Be\n0.499999 0.500000 0.500001 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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},
{
"id": "jvasp-74497",
"created_at": "2022-09-04T14:36:10.042057Z",
"updated_at": "2022-09-04T14:36:10.042086Z",
"structure_string": "Be2 Ir1 Ru1\n1.0\n2.792757 -0.000000 0.000000\n-0.000000 2.792757 0.000000\n0.000000 -0.000000 5.624740\nBe Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.257200 Be\n0.000000 0.000000 0.742800 Be\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ru\n",
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},
{
"id": "jvasp-73703",
"created_at": "2022-09-04T14:36:18.637363Z",
"updated_at": "2022-09-04T14:36:18.637391Z",
"structure_string": "Be2 Ir1 Ru1\n1.0\n2.795165 -0.000000 0.000000\n-0.000000 2.795165 0.000000\n-0.000000 -0.000000 5.644725\nBe Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.028919 Be\n0.499999 0.499999 0.222109 Be\n0.000000 0.000000 0.459406 Ir\n0.499999 0.499999 0.789565 Ru\n",
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}