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{
"id": "jvasp-74869",
"created_at": "2022-09-04T14:36:16.265040Z",
"updated_at": "2022-09-04T14:36:16.265057Z",
"structure_string": "Sr1 Be1 Hg2\n1.0\n-2.558543 2.558543 3.615486\n2.558543 -2.558543 3.615486\n2.558543 2.558543 -3.615486\nSr Be Hg\n1 1 2\ndirect\n0.250000 0.750000 0.499999 Sr\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.000000 Hg\n",
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{
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"structure_string": "Sr1 Be2 Hg1\n1.0\n-2.355136 2.355136 3.330131\n2.355136 -2.355136 3.330131\n2.355136 2.355136 -3.330131\nSr Be Hg\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Sr\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.750001 0.500001 Hg\n",
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"formula_full": "Sr1 Be2 Hg1",
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{
"id": "jvasp-69818",
"created_at": "2022-09-04T14:36:10.187949Z",
"updated_at": "2022-09-04T14:36:10.187978Z",
"structure_string": "Sr1 Be1 Hg1\n1.0\n2.205436 -3.819927 -0.000000\n2.205436 3.819927 0.000000\n0.000000 0.000000 4.364994\nSr Be Hg\n1 1 1\ndirect\n0.333334 0.666668 0.333355 Sr\n0.000000 0.000000 0.833281 Be\n0.666668 0.333334 0.833362 Hg\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Be-Hg-Sr",
"density": 6.710689519489152,
"density_atomic": 0.040790411359996885,
"volume": 73.54669639203729,
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"formula_full": "Sr1 Be1 Hg1",
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"spacegroup": 187
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{
"id": "jvasp-74545",
"created_at": "2022-09-04T14:36:14.443565Z",
"updated_at": "2022-09-04T14:36:14.443591Z",
"structure_string": "Ta1 Be2 Hg1\n1.0\n-1.821231 1.821231 4.359087\n1.821231 -1.821231 4.359087\n1.821231 1.821231 -4.359087\nTa Be Hg\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Be",
"Hg"
],
"chemical_system": "Be-Hg-Ta",
"density": 11.472232625820189,
"density_atomic": 0.06916309112332318,
"volume": 57.83431502313406,
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"formula_full": "Ta1 Be2 Hg1",
"formula_reduced": "TaBe2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3196965,
"spacegroup": 119
},
{
"id": "jvasp-67148",
"created_at": "2022-09-04T14:36:18.312621Z",
"updated_at": "2022-09-04T14:36:18.312652Z",
"structure_string": "Be1 Tc1 Hg1\n1.0\n-1.479208 1.479208 5.045388\n1.479208 -1.479208 5.045388\n1.479208 1.479208 -5.045388\nBe Tc Hg\n1 1 1\ndirect\n0.023233 0.023233 0.000000 Be\n0.634700 0.634700 0.000000 Tc\n0.342067 0.342067 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"Tc",
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],
"chemical_system": "Be-Hg-Tc",
"density": 11.567125674764688,
"density_atomic": 0.06793728695927997,
"volume": 44.1583721439764,
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"formula_full": "Be1 Tc1 Hg1",
"formula_reduced": "BeTcHg",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-72263",
"created_at": "2022-09-04T14:35:58.933284Z",
"updated_at": "2022-09-04T14:35:58.933311Z",
"structure_string": "Be1 Tc1 Hg2\n1.0\n-1.954106 1.954106 4.418501\n1.954106 -1.954106 4.418501\n1.954106 1.954106 -4.418501\nBe Tc Hg\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Be\n0.250000 0.750001 0.500001 Tc\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Hg-Tc",
"density": 12.50391151450325,
"density_atomic": 0.05926916460666491,
"volume": 67.4887190758581,
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"formula_full": "Be1 Tc1 Hg2",
"formula_reduced": "BeTcHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-71356",
"created_at": "2022-09-04T14:36:19.787028Z",
"updated_at": "2022-09-04T14:36:19.787055Z",
"structure_string": "Be2 Tc1 Hg1\n1.0\n3.056458 -0.000000 0.000000\n0.000000 3.056458 -0.000000\n-0.000000 -0.000000 5.733200\nBe Tc Hg\n2 1 1\ndirect\n0.000000 0.000000 0.182087 Be\n0.000000 0.000000 0.817913 Be\n0.500000 0.500000 0.000000 Tc\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Hg-Tc",
"density": 9.81625325303969,
"density_atomic": 0.07468373588513721,
"volume": 53.55918464164617,
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"formula_full": "Be2 Tc1 Hg1",
"formula_reduced": "Be2TcHg",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-71078",
"created_at": "2022-09-04T14:36:08.543113Z",
"updated_at": "2022-09-04T14:36:08.543144Z",
"structure_string": "Be1 Tc2 Hg1\n1.0\n2.961179 0.000000 0.000000\n0.000000 2.961179 0.000000\n0.000000 0.000000 6.731630\nBe Tc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.458514 Be\n0.000000 0.000000 0.049599 Tc\n0.500000 0.500000 0.269246 Tc\n0.500000 0.500000 0.722641 Hg\n",
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"elements": [
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"density": 11.410372468607957,
"density_atomic": 0.06776577859113408,
"volume": 59.0268433885201,
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"formula_full": "Be1 Tc2 Hg1",
"formula_reduced": "BeTc2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.816070925,
"spacegroup": 99
},
{
"id": "jvasp-69812",
"created_at": "2022-09-04T14:36:06.320261Z",
"updated_at": "2022-09-04T14:36:06.320291Z",
"structure_string": "Be2 Hg1 Te1\n1.0\n-1.786474 1.786474 6.418912\n1.786474 -1.786474 6.418912\n1.786474 1.786474 -6.418912\nBe Hg Te\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Hg\n0.749999 0.250000 0.499999 Te\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Hg-Te",
"density": 7.015835001295702,
"density_atomic": 0.04881408784222288,
"volume": 81.94355721505681,
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"formula_full": "Be2 Hg1 Te1",
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},
{
"id": "jvasp-68901",
"created_at": "2022-09-04T14:36:02.230056Z",
"updated_at": "2022-09-04T14:36:02.230081Z",
"structure_string": "Be2 Hg1 Te1\n1.0\n3.583552 0.000000 0.000000\n0.000000 3.583552 -0.000000\n0.000000 0.000000 5.958674\nBe Hg Te\n2 1 1\ndirect\n0.000000 0.000000 0.860858 Be\n0.500000 0.500000 0.321858 Be\n0.000000 0.000000 0.406728 Hg\n0.500000 0.500000 0.910554 Te\n",
"nsites": 4,
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"elements": [
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"density": 7.513064761049717,
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"formula_full": "Be2 Hg1 Te1",
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},
{
"id": "jvasp-71243",
"created_at": "2022-09-04T14:35:46.632006Z",
"updated_at": "2022-09-04T14:35:46.632032Z",
"structure_string": "Be2 Hg1 Te1\n1.0\n3.503487 0.000000 -0.000000\n-0.000000 3.503487 -0.000000\n0.000000 -0.000000 6.029303\nBe Hg Te\n2 1 1\ndirect\n-0.000000 0.000000 0.308998 Be\n-0.000000 0.000000 0.691001 Be\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Te\n",
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{
"id": "jvasp-67655",
"created_at": "2022-09-04T14:35:44.872662Z",
"updated_at": "2022-09-04T14:35:44.872689Z",
"structure_string": "Be1 Hg1 Te2\n1.0\n3.915003 -0.000000 -0.000000\n-0.000000 3.915003 0.000000\n-0.000000 0.000000 6.863694\nBe Hg Te\n1 1 2\ndirect\n0.000000 0.000000 0.319369 Be\n0.500000 0.500000 0.812103 Hg\n0.000000 0.000000 0.967840 Te\n0.500000 0.500000 0.400684 Te\n",
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