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{
"id": "jvasp-120880",
"created_at": "2022-09-04T14:38:52.179995Z",
"updated_at": "2022-09-04T14:38:52.180013Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n3.963191 0.000000 -0.000000\n0.000000 3.963191 0.000000\n-0.000000 -0.000000 8.162748\nSr Be Br\n1 1 1\ndirect\n0.000000 0.000000 0.023164 Sr\n0.000000 0.000000 0.394239 Be\n0.000000 0.000000 0.649434 Br\n",
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"volume": 128.21132699846098,
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{
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"structure_string": "Sr1 Be1 Br1\n1.0\n5.478461 -0.000000 -0.000000\n-2.739230 4.744486 0.000000\n0.000000 0.000000 3.857754\nSr Be Br\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Sr\n0.000000 0.000000 0.000000 Be\n0.333334 0.666668 0.000000 Br\n",
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"formula_full": "Sr1 Be1 Br1",
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},
{
"id": "jvasp-71212",
"created_at": "2022-09-04T14:35:52.862960Z",
"updated_at": "2022-09-04T14:35:52.862975Z",
"structure_string": "Be1 Sn2 Br1\n1.0\n3.586924 -0.000000 0.000000\n-0.000000 3.586924 0.000000\n-0.000000 -0.000000 7.983160\nBe Sn Br\n1 2 1\ndirect\n0.000000 0.000000 0.398610 Be\n0.000000 0.000000 0.012599 Sn\n0.499999 0.499999 0.321578 Sn\n0.499999 0.499999 0.767213 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Br-Sn",
"density": 5.275882833960954,
"density_atomic": 0.038944022542202,
"volume": 102.71152641372288,
"volume_molar": 15.463581743447431,
"formula_full": "Be1 Sn2 Br1",
"formula_reduced": "BeSn2Br",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-73382",
"created_at": "2022-09-04T14:35:54.876133Z",
"updated_at": "2022-09-04T14:35:54.876155Z",
"structure_string": "Be1 Sn2 Br2\n1.0\n-2.104311 2.104311 8.581944\n2.104311 -2.104311 8.581944\n2.104311 2.104311 -8.581944\nBe Sn Br\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.599409 0.599409 0.000000 Br\n0.400590 0.400590 0.000000 Br\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Be-Br-Sn",
"density": 4.43778703597094,
"density_atomic": 0.03289307580454433,
"volume": 152.00767570995072,
"volume_molar": 18.308232394515123,
"formula_full": "Be1 Sn2 Br2",
"formula_reduced": "Be(SnBr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6048235419999999,
"spacegroup": 139
},
{
"id": "jvasp-69591",
"created_at": "2022-09-04T14:35:52.704580Z",
"updated_at": "2022-09-04T14:35:52.704599Z",
"structure_string": "Be2 Sn1 Br1\n1.0\n-1.757011 1.757011 7.043441\n1.757011 -1.757011 7.043441\n1.757011 1.757011 -7.043441\nBe Sn Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Sn\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Br-Sn",
"density": 4.13609620182697,
"density_atomic": 0.0459902910509629,
"volume": 86.97487901451869,
"volume_molar": 13.094374100235042,
"formula_full": "Be2 Sn1 Br1",
"formula_reduced": "Be2SnBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.16544200125,
"spacegroup": 119
},
{
"id": "jvasp-67793",
"created_at": "2022-09-04T14:36:11.891940Z",
"updated_at": "2022-09-04T14:36:11.891969Z",
"structure_string": "Be1 Si2 Br1\n1.0\n-2.482793 2.482793 2.854028\n2.482793 -2.482793 2.854028\n2.482793 2.482793 -2.854028\nBe Si Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.499999 Si\n0.750000 0.250000 0.499999 Br\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Br-Si",
"density": 3.423567521227405,
"density_atomic": 0.05684087384458426,
"volume": 70.37189489621325,
"volume_molar": 10.594736415323046,
"formula_full": "Be1 Si2 Br1",
"formula_reduced": "BeSi2Br",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-67647",
"created_at": "2022-09-04T14:36:03.287211Z",
"updated_at": "2022-09-04T14:36:03.287243Z",
"structure_string": "Be1 Si1 Br1\n1.0\n-1.693553 1.693553 5.187348\n1.693553 -1.693553 5.187348\n1.693553 1.693553 -5.187348\nBe Si Br\n1 1 1\ndirect\n0.110516 0.110516 0.000000 Be\n0.564297 0.564297 0.000000 Si\n0.325188 0.325188 0.000000 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Be-Br-Si",
"density": 3.264662134788614,
"density_atomic": 0.05041018534160892,
"volume": 59.511782781004364,
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"formula_full": "Be1 Si1 Br1",
"formula_reduced": "BeSiBr",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-74910",
"created_at": "2022-09-04T14:36:05.765212Z",
"updated_at": "2022-09-04T14:36:05.765242Z",
"structure_string": "Be1 Se1 Br1\n1.0\n1.656300 -2.868796 0.000000\n1.656300 2.868796 -0.000000\n-0.000000 -0.000000 6.433392\nBe Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.988351 Be\n0.666667 0.333333 0.236322 Se\n0.333333 0.666667 0.775326 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Be-Br-Se",
"density": 4.559628946687231,
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"volume": 61.137641203279614,
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"formula_full": "Be1 Se1 Br1",
"formula_reduced": "BeSeBr",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-65211",
"created_at": "2022-09-04T14:35:44.994128Z",
"updated_at": "2022-09-04T14:35:44.994154Z",
"structure_string": "Be1 Se1 Br4\n1.0\n-0.000000 4.399210 4.399210\n4.399210 0.000000 4.399210\n4.399210 4.399210 -0.000000\nBe Se Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Se\n0.124304 0.625232 0.625232 Br\n0.625232 0.625232 0.625232 Br\n0.625232 0.124304 0.625232 Br\n0.625232 0.625232 0.124304 Br\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Be-Br-Se",
"density": 3.9748121009028012,
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"volume": 170.27625007525393,
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"formula_full": "Be1 Se1 Br4",
"formula_reduced": "BeSeBr4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-71110",
"created_at": "2022-09-04T14:35:59.157663Z",
"updated_at": "2022-09-04T14:35:59.157681Z",
"structure_string": "Be1 Se2 Br1\n1.0\n3.387417 -0.000000 -0.000000\n-0.000000 3.387417 0.000000\n0.000000 0.000000 7.887947\nBe Se Br\n1 2 1\ndirect\n-0.000000 -0.000000 0.327990 Be\n-0.000000 -0.000000 0.061750 Se\n0.500000 0.500000 0.402526 Se\n0.500000 0.500000 0.707733 Br\n",
"nsites": 4,
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"density": 4.528523318333728,
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"volume": 90.51098878126204,
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"formula_full": "Be1 Se2 Br1",
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"spacegroup": 99
},
{
"id": "jvasp-69904",
"created_at": "2022-09-04T14:35:54.607922Z",
"updated_at": "2022-09-04T14:35:54.607948Z",
"structure_string": "Be2 Se1 Br1\n1.0\n-1.673163 1.673163 6.884220\n1.673163 -1.673163 6.884220\n1.673163 1.673163 -6.884220\nBe Se Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Se\n0.500000 0.500000 0.000000 Br\n",
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"density": 3.8102820646744475,
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"formula_full": "Be2 Se1 Br1",
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},
{
"id": "jvasp-67808",
"created_at": "2022-09-04T14:36:02.074958Z",
"updated_at": "2022-09-04T14:36:02.074990Z",
"structure_string": "Be1 Se1 Br1\n1.0\n-1.589179 1.589179 6.837927\n1.589179 -1.589179 6.837927\n1.589179 1.589179 -6.837927\nBe Se Br\n1 1 1\ndirect\n0.139921 0.139921 0.000000 Be\n0.567662 0.567662 0.000000 Se\n0.292418 0.292418 0.000000 Br\n",
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}