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{
"id": "jvasp-51174",
"created_at": "2022-09-04T14:37:03.638575Z",
"updated_at": "2022-09-04T14:37:03.638592Z",
"structure_string": "Sr1 Hf1 Re2\n1.0\n0.000016 3.368522 3.368519\n3.368526 0.000007 3.368527\n3.368542 3.368547 -0.000009\nSr Hf Re\n1 1 2\ndirect\n0.250000 0.249999 0.250000 Sr\n0.500000 0.500001 0.500001 Hf\n0.000002 0.000000 0.999999 Re\n0.749999 0.749999 0.750002 Re\n",
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{
"id": "jvasp-51118",
"created_at": "2022-09-04T14:36:55.999163Z",
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"structure_string": "Sr1 Hf2 Mo1\n1.0\n0.000000 3.569090 3.569090\n3.569090 0.000000 3.569090\n3.569090 3.569090 0.000000\nSr Hf Mo\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Hf\n0.500000 0.500000 0.500000 Mo\n",
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"density": 9.87130204192431,
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{
"id": "jvasp-14770",
"created_at": "2022-09-04T14:38:06.804909Z",
"updated_at": "2022-09-04T14:38:06.804929Z",
"structure_string": "Sr1 Hg1\n1.0\n3.958816 -0.000000 -0.000000\n0.000000 3.958816 -0.000000\n0.000000 0.000000 3.958816\nSr Hg\n1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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"density": 7.713690195693451,
"density_atomic": 0.032235472852122436,
"volume": 62.04345160918949,
"volume_molar": 18.68171994133938,
"formula_full": "Sr1 Hg1",
"formula_reduced": "SrHg",
"formula_anonymous": "AB",
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"spacegroup": 221
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{
"id": "jvasp-37313",
"created_at": "2022-09-04T14:38:16.715686Z",
"updated_at": "2022-09-04T14:38:16.715716Z",
"structure_string": "Sr1 Hg1 O2\n1.0\n1.921000 1.109090 6.417080\n-1.921000 1.109090 6.417080\n-0.000000 -2.218181 6.417080\nSr Hg O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hg\n0.896436 0.896436 0.896436 O\n0.103564 0.103564 0.103564 O\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-O-Sr",
"density": 6.481855896705693,
"density_atomic": 0.04876149388709772,
"volume": 82.03194121290856,
"volume_molar": 12.350197420004513,
"formula_full": "Sr1 Hg1 O2",
"formula_reduced": "SrHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1988194774999999,
"spacegroup": 166
},
{
"id": "jvasp-16556",
"created_at": "2022-09-04T14:37:43.459127Z",
"updated_at": "2022-09-04T14:37:43.459153Z",
"structure_string": "Sr1 Hg2\n1.0\n2.544897 -4.407892 0.000000\n2.544897 4.407892 -0.000000\n0.000000 -0.000000 3.849200\nSr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"chemical_system": "Hg-Sr",
"density": 9.398935451773967,
"density_atomic": 0.034739185129478746,
"volume": 86.35781146905141,
"volume_molar": 17.33529654640567,
"formula_full": "Sr1 Hg2",
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"energy_above_hull": 0.1130066666666666,
"spacegroup": 191
},
{
"id": "jvasp-81217",
"created_at": "2022-09-04T14:37:09.903898Z",
"updated_at": "2022-09-04T14:37:09.903933Z",
"structure_string": "Sr1 Hg2 Bi1\n1.0\n-12.573485 1.940406 -4.090634\n-8.363999 -0.441259 0.378860\n-6.652623 4.399250 -2.585334\nSr Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.752477 -0.002023 -0.002023 Hg\n0.247521 0.002025 0.002025 Hg\n0.499999 0.000001 0.000001 Bi\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.475158691316716,
"density_atomic": 0.032709855067391186,
"volume": 122.28730429281674,
"volume_molar": 18.41078399030737,
"formula_full": "Sr1 Hg2 Bi1",
"formula_reduced": "SrHg2Bi",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-77191",
"created_at": "2022-09-04T14:37:01.413973Z",
"updated_at": "2022-09-04T14:37:01.414008Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-10.715288 -0.000000 -6.186475\n-10.904510 -0.040664 6.514217\n-7.187431 10.472827 0.076047\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.737849 0.000000 0.000000 Hg\n0.262151 0.000000 0.000000 Hg\n0.500000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Pb-Sr",
"density": 0.8029482825076504,
"density_atomic": 0.002779004357432385,
"volume": 1439.3644217584938,
"volume_molar": 216.70137881914138,
"formula_full": "Sr1 Hg2 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-81731",
"created_at": "2022-09-04T14:36:51.327386Z",
"updated_at": "2022-09-04T14:36:51.327401Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-11.097574 -0.000001 -6.407187\n-7.125554 -1.338632 -0.472552\n-5.443340 3.419392 -3.386235\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.742635 -0.000001 -0.000000 Hg\n0.257366 -0.000000 -0.000000 Hg\n0.500000 -0.000001 -0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 8.588869140226608,
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"volume": 134.56197451427315,
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"formula_full": "Sr1 Hg2 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-111300",
"created_at": "2022-09-04T14:38:49.791892Z",
"updated_at": "2022-09-04T14:38:49.791924Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n4.716171 -0.000000 2.722883\n1.572057 4.446449 2.722883\n-0.000000 -0.000000 5.445766\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 10.120372598680829,
"density_atomic": 0.03502661399653143,
"volume": 114.19887747060298,
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"formula_full": "Sr1 Hg2 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-119452",
"created_at": "2022-09-04T14:38:44.406785Z",
"updated_at": "2022-09-04T14:38:44.406809Z",
"structure_string": "Sr1 Ho2 Al2 O7\n1.0\n3.648199 0.007363 -9.418779\n-0.120577 3.646213 -9.418779\n-0.007109 -0.007363 10.100628\nSr Ho Al O\n1 2 2 7\ndirect\n0.500000 0.499999 -0.000001 Sr\n0.318034 0.318033 -0.000001 Ho\n0.681966 0.681965 -0.000002 Ho\n0.096882 0.096882 -0.000000 Al\n0.903118 0.903116 -0.000002 Al\n0.606408 0.106408 0.500000 O\n0.393591 0.893591 0.499999 O\n0.106408 0.606408 0.499999 O\n0.893592 0.393591 0.499999 O\n0.000000 0.000000 0.000000 O\n0.205174 0.205174 -0.000000 O\n0.794825 0.794824 -0.000002 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 7.237396539234683,
"density_atomic": 0.08964347342004837,
"volume": 133.8636215463317,
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"formula_full": "Sr1 Ho2 Al2 O7",
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"formula_anonymous": "AB2C2D7",
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{
"id": "jvasp-100803",
"created_at": "2022-09-04T14:36:41.286402Z",
"updated_at": "2022-09-04T14:36:41.286431Z",
"structure_string": "Sr1 In1 Au5\n1.0\n5.738472 -0.006972 -1.299861\n-3.662957 4.417336 -1.299861\n0.003281 0.006972 5.883850\nSr In Au\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 In\n0.306561 0.693440 0.000000 Au\n0.693439 0.306561 0.000000 Au\n0.693439 0.693440 0.386878 Au\n0.306561 0.306561 0.613123 Au\n0.250000 0.750001 0.500000 Au\n",
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"elements": [
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"density": 13.222547335705126,
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"volume": 149.10210345278807,
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"formula_full": "Sr1 In1 Au5",
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"formula_anonymous": "ABC5",
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"spacegroup": 119
},
{
"id": "jvasp-115998",
"created_at": "2022-09-04T14:38:40.582641Z",
"updated_at": "2022-09-04T14:38:40.582665Z",
"structure_string": "Sr1 In1 F1\n1.0\n0.000000 3.604605 3.604605\n3.604605 -0.000000 3.604605\n3.604605 3.604605 0.000000\nSr In F\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 F\n",
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"elements": [
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"volume": 93.67054304544747,
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