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{
"id": "jvasp-8590",
"created_at": "2022-09-04T14:37:04.231969Z",
"updated_at": "2022-09-04T14:37:04.232000Z",
"structure_string": "Rb1 I1\n1.0\n4.377275 0.000000 -0.000000\n-0.000000 4.377275 0.000000\n0.000000 0.000000 4.377275\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 I\n",
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{
"id": "jvasp-12899",
"created_at": "2022-09-04T14:38:33.425520Z",
"updated_at": "2022-09-04T14:38:33.425546Z",
"structure_string": "Rb4 I12\n1.0\n6.603756 0.000000 0.000000\n0.000000 9.734874 0.000000\n0.000000 0.000000 10.755909\nRb I\n4 12\ndirect\n0.250000 0.474845 0.830617 Rb\n0.750000 0.525154 0.169383 Rb\n0.750000 0.974845 0.669383 Rb\n0.250000 0.025155 0.330617 Rb\n0.250000 0.542730 0.374474 I\n0.750000 0.457269 0.625527 I\n0.750000 0.042730 0.125527 I\n0.250000 0.957269 0.874474 I\n0.250000 0.738896 0.578736 I\n0.750000 0.261104 0.421265 I\n0.750000 0.238896 0.921265 I\n0.250000 0.761103 0.078735 I\n0.250000 0.156523 0.655085 I\n0.750000 0.843477 0.344915 I\n0.750000 0.656522 0.844915 I\n0.250000 0.343477 0.155085 I\n",
"nsites": 16,
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{
"id": "jvasp-38237",
"created_at": "2022-09-04T14:37:48.271533Z",
"updated_at": "2022-09-04T14:37:48.271557Z",
"structure_string": "Rb3 Ho1\n1.0\n0.000000 5.005178 5.005178\n5.005178 0.000000 5.005178\n5.005178 5.005178 0.000000\nRb Ho\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250001 0.250001 0.250001 Rb\n0.750000 0.750000 0.750000 Ho\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ho-Rb",
"density": 2.789887805819094,
"density_atomic": 0.015950393979438655,
"volume": 250.7775046281818,
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"formula_full": "Rb3 Ho1",
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"spacegroup": 225
},
{
"id": "jvasp-38235",
"created_at": "2022-09-04T14:37:52.025298Z",
"updated_at": "2022-09-04T14:37:52.025322Z",
"structure_string": "Rb3 Hg1\n1.0\n6.042232 0.000000 0.000000\n-0.000000 6.042232 0.000000\n-0.000000 0.000000 6.042232\nRb Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
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"chemical_system": "Hg-Rb",
"density": 3.4400664808196924,
"density_atomic": 0.01813292233840859,
"volume": 220.59323507537033,
"volume_molar": 33.21108780819124,
"formula_full": "Rb3 Hg1",
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"spacegroup": 221
},
{
"id": "jvasp-14243",
"created_at": "2022-09-04T14:38:13.313423Z",
"updated_at": "2022-09-04T14:38:13.313452Z",
"structure_string": "Rb2 Hg7\n1.0\n3.585318 -6.209952 -0.000000\n3.585318 6.209952 0.000000\n0.000000 -0.000000 6.533014\nRb Hg\n2 7\ndirect\n0.333333 0.666667 0.838005 Rb\n0.666667 0.333333 0.161994 Rb\n0.181269 0.362537 0.332114 Hg\n0.637464 0.818732 0.332114 Hg\n0.181269 0.818731 0.332114 Hg\n0.818732 0.637464 0.667885 Hg\n0.818731 0.181269 0.667885 Hg\n0.362537 0.181269 0.667885 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Hg-Rb",
"density": 8.990590863739165,
"density_atomic": 0.03093734212984271,
"volume": 290.9105753890358,
"volume_molar": 19.465604817392947,
"formula_full": "Rb2 Hg7",
"formula_reduced": "Rb2Hg7",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.0,
"spacegroup": 164
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{
"id": "jvasp-18871",
"created_at": "2022-09-04T14:36:16.580250Z",
"updated_at": "2022-09-04T14:36:16.580266Z",
"structure_string": "Rb2 Hg7\n1.0\n3.585367 -6.210038 0.000000\n3.585367 6.210038 -0.000000\n-0.000000 -0.000000 6.533026\nRb Hg\n2 7\ndirect\n0.333333 0.666667 0.837991 Rb\n0.666667 0.333333 0.162009 Rb\n0.181271 0.362540 0.332115 Hg\n0.637461 0.818730 0.332115 Hg\n0.181271 0.818730 0.332115 Hg\n0.818730 0.637461 0.667886 Hg\n0.818730 0.181271 0.667886 Hg\n0.362540 0.181271 0.667886 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
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"elements": [
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"density": 8.990326973803336,
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"volume": 290.9191143858148,
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"formula_full": "Rb2 Hg7",
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"formula_anonymous": "A2B7",
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"spacegroup": 164
},
{
"id": "jvasp-38245",
"created_at": "2022-09-04T14:37:59.184728Z",
"updated_at": "2022-09-04T14:37:59.184738Z",
"structure_string": "Rb3 Hg1\n1.0\n0.000000 4.779698 4.779698\n4.779698 0.000000 4.779698\n4.779698 4.779698 0.000000\nRb Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
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"density": 3.4747827636716733,
"density_atomic": 0.018315915214954164,
"volume": 218.3893053148756,
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"formula_full": "Rb3 Hg1",
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"spacegroup": 225
},
{
"id": "jvasp-123761",
"created_at": "2022-09-04T14:38:55.198792Z",
"updated_at": "2022-09-04T14:38:55.198818Z",
"structure_string": "Rb1 Hf1\n1.0\n1.627951 -2.819693 -0.000000\n1.627951 2.819693 0.000000\n0.000000 0.000000 6.837969\nRb Hf\n1 1\ndirect\n0.666666 0.333333 0.250000 Rb\n0.333333 0.666666 0.750000 Hf\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"density": 6.982055862291191,
"density_atomic": 0.03185882229010187,
"volume": 62.776959605985645,
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"formula_full": "Rb1 Hf1",
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"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-38240",
"created_at": "2022-09-04T14:37:58.196982Z",
"updated_at": "2022-09-04T14:37:58.196997Z",
"structure_string": "Rb3 Hf1\n1.0\n-3.371987 3.371987 4.772599\n3.371987 -3.371987 4.772599\n3.371987 3.371987 -4.772599\nRb Hf\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
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"elements": [
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"density": 3.326941724921979,
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"volume": 217.06345954209215,
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"formula_full": "Rb3 Hf1",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.93775575,
"spacegroup": 225
},
{
"id": "jvasp-2014",
"created_at": "2022-09-04T14:36:30.444076Z",
"updated_at": "2022-09-04T14:36:30.444099Z",
"structure_string": "Rb1 H1\n1.0\n3.648460 0.000000 2.106440\n1.216153 3.439802 2.106440\n0.000000 0.000000 4.212880\nRb H\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 H\n",
"nsites": 2,
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"elements": [
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"density": 2.7159468195467986,
"density_atomic": 0.03782752029560513,
"volume": 52.87155976312737,
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"spacegroup": 225
},
{
"id": "jvasp-38246",
"created_at": "2022-09-04T14:35:54.780083Z",
"updated_at": "2022-09-04T14:35:54.780100Z",
"structure_string": "Rb3 Ge1\n1.0\n-3.119059 3.119059 4.421188\n3.119059 -3.119059 4.421188\n3.119059 3.119059 -4.421188\nRb Ge\n3 1\ndirect\n0.750001 0.250000 0.500001 Rb\n0.250000 0.750001 0.500001 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"volume": 172.0466234941282,
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},
{
"id": "jvasp-78454",
"created_at": "2022-09-04T14:37:09.094364Z",
"updated_at": "2022-09-04T14:37:09.094383Z",
"structure_string": "Rb1 Ge1\n1.0\n-3.568635 -3.568635 0.000000\n-3.568635 -0.000000 -3.568635\n-0.000000 -3.568635 -3.568635\nRb Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.499999 0.499999 Ge\n",
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"elements": [
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}
]
}