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{
"id": "jvasp-40947",
"created_at": "2022-09-04T14:37:36.022922Z",
"updated_at": "2022-09-04T14:37:36.022953Z",
"structure_string": "Ir3 Rh1\n1.0\n-1.934002 1.934002 3.871797\n1.934002 -1.934002 3.871797\n1.934002 1.934002 -3.871797\nIr Rh\n3 1\ndirect\n0.749999 0.250000 0.499998 Ir\n0.250000 0.749999 0.499998 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-100183",
"created_at": "2022-09-04T14:36:42.262913Z",
"updated_at": "2022-09-04T14:36:42.262933Z",
"structure_string": "Ir3 Rh1\n1.0\n3.869910 -0.000000 0.000000\n0.000000 3.869910 0.000000\n-0.000000 0.000000 3.869910\nIr Rh\n3 1\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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},
{
"id": "jvasp-110432",
"created_at": "2022-09-04T14:38:38.842652Z",
"updated_at": "2022-09-04T14:38:38.842675Z",
"structure_string": "Ir1 Rh3\n1.0\n3.843873 -0.000000 0.000000\n0.000000 3.843873 0.000000\n-0.000000 -0.000000 3.843873\nIr Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 14.646102954283833,
"density_atomic": 0.07042922352498242,
"volume": 56.79460598598157,
"volume_molar": 8.55062779140799,
"formula_full": "Ir1 Rh3",
"formula_reduced": "IrRh3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-111365",
"created_at": "2022-09-04T14:38:44.081730Z",
"updated_at": "2022-09-04T14:38:44.081756Z",
"structure_string": "Ir1 Rh1\n1.0\n2.611749 -0.000283 3.937642\n1.186964 2.326446 3.937642\n-0.000462 -0.000283 4.725067\nIr Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.499999 0.500002 0.499999 Rh\n",
"nsites": 2,
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"elements": [
"Ir",
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],
"chemical_system": "Ir-Rh",
"density": 17.065027513395584,
"density_atomic": 0.06964429875353823,
"volume": 28.717354267256393,
"volume_molar": 8.646997482610233,
"formula_full": "Ir1 Rh1",
"formula_reduced": "IrRh",
"formula_anonymous": "AB",
"energy_above_hull": 2.4839320500000004,
"spacegroup": 166
},
{
"id": "jvasp-102670",
"created_at": "2022-09-04T14:36:53.653048Z",
"updated_at": "2022-09-04T14:36:53.653070Z",
"structure_string": "Tb1 Si2 Ir1 Rh1\n1.0\n3.815231 -0.002402 -4.321527\n-0.547674 3.775718 -4.321527\n0.002080 0.002402 5.764684\nTb Si Ir Rh\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621356 0.621356 0.000000 Si\n0.378645 0.378645 0.000000 Si\n0.250001 0.750000 0.500000 Ir\n0.750000 0.250000 0.499999 Rh\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Si",
"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Si-Tb",
"density": 10.193775515236055,
"density_atomic": 0.06015884267095145,
"volume": 83.11330102123658,
"volume_molar": 10.01039995556277,
"formula_full": "Tb1 Si2 Ir1 Rh1",
"formula_reduced": "TbSi2IrRh",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.02797594,
"spacegroup": 119
},
{
"id": "jvasp-40604",
"created_at": "2022-09-04T14:38:03.585465Z",
"updated_at": "2022-09-04T14:38:03.585484Z",
"structure_string": "Sm2 Ir1 Rh1\n1.0\n-0.000000 3.489908 3.489908\n3.489908 -0.000000 3.489908\n3.489908 3.489908 0.000000\nSm Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Rh\n",
"nsites": 4,
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"elements": [
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"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Sm",
"density": 11.638811751627316,
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"volume": 85.01037476203459,
"volume_molar": 12.798611071933095,
"formula_full": "Sm2 Ir1 Rh1",
"formula_reduced": "Sm2IrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4409079625,
"spacegroup": 225
},
{
"id": "jvasp-40381",
"created_at": "2022-09-04T14:37:56.252086Z",
"updated_at": "2022-09-04T14:37:56.252112Z",
"structure_string": "Tb2 Ir1 Rh1\n1.0\n-0.000000 3.431052 3.431052\n3.431052 0.000000 3.431052\n3.431052 3.431052 -0.000000\nTb Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.499999 0.499999 Tb\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.600236259021493,
"density_atomic": 0.049516289708787194,
"volume": 80.78149682709683,
"volume_molar": 12.161938617406761,
"formula_full": "Tb2 Ir1 Rh1",
"formula_reduced": "Tb2IrRh",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-79401",
"created_at": "2022-09-04T14:36:48.878911Z",
"updated_at": "2022-09-04T14:36:48.878933Z",
"structure_string": "Ti2 Ir1 Rh1\n1.0\n-0.000000 3.110652 3.110652\n3.110652 0.000000 3.110652\n3.110652 3.110652 -0.000000\nTi Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.250001 0.250001 0.250001 Ir\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 4,
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"elements": [
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"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Ti",
"density": 10.781573735213264,
"density_atomic": 0.06644705120187182,
"volume": 60.19830718819498,
"volume_molar": 9.06306698502575,
"formula_full": "Ti2 Ir1 Rh1",
"formula_reduced": "Ti2IrRh",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39983",
"created_at": "2022-09-04T14:37:44.600974Z",
"updated_at": "2022-09-04T14:37:44.600984Z",
"structure_string": "Tm2 Ir1 Rh1\n1.0\n0.000000 3.367488 3.367488\n3.367488 -0.000000 3.367488\n3.367488 3.367488 -0.000000\nTm Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.249999 0.249999 0.249999 Ir\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Tm",
"density": 13.76253421559486,
"density_atomic": 0.05237352743655151,
"volume": 76.3744623626095,
"volume_molar": 11.498444070423917,
"formula_full": "Tm2 Ir1 Rh1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41680",
"created_at": "2022-09-04T14:37:37.101932Z",
"updated_at": "2022-09-04T14:37:37.101942Z",
"structure_string": "Y2 Ir1 Rh1\n1.0\n0.000000 3.424025 3.424025\n3.424025 0.000000 3.424025\n3.424025 3.424025 -0.000000\nY Ir Rh\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Y\n0.000000 0.000000 0.000000 Y\n0.249999 0.249999 0.249999 Ir\n0.750002 0.750002 0.750002 Rh\n",
"nsites": 4,
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"elements": [
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"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Y",
"density": 9.781580690750785,
"density_atomic": 0.049821777148157956,
"volume": 80.28617662724001,
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"formula_full": "Y2 Ir1 Rh1",
"formula_reduced": "Y2IrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.09078375,
"spacegroup": 225
},
{
"id": "jvasp-81078",
"created_at": "2022-09-04T14:37:19.287017Z",
"updated_at": "2022-09-04T14:37:19.287036Z",
"structure_string": "Zr2 Ir1 Rh1\n1.0\n-8.792368 0.000000 -5.076276\n-5.851538 0.272835 -0.017390\n-5.009918 2.653297 -1.475120\nZr Ir Rh\n2 1 1\ndirect\n0.752099 -0.000001 -0.000000 Zr\n0.247902 -0.000000 0.000000 Zr\n0.500000 -0.000001 -0.000000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-Rh-Zr",
"density": 10.572552369684432,
"density_atomic": 0.05332774833011167,
"volume": 75.0078547333188,
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"formula_full": "Zr2 Ir1 Rh1",
"formula_reduced": "Zr2IrRh",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-41931",
"created_at": "2022-09-04T14:37:36.198638Z",
"updated_at": "2022-09-04T14:37:36.198654Z",
"structure_string": "Ir2 Ru6\n1.0\n2.735611 -4.738217 -0.000000\n2.735611 4.738217 -0.000000\n0.000000 0.000000 4.324424\nIr Ru\n2 6\ndirect\n0.333333 0.666667 0.250000 Ir\n0.666667 0.333333 0.749999 Ir\n0.165693 0.834307 0.749999 Ru\n0.668613 0.834306 0.749999 Ru\n0.165693 0.331387 0.749999 Ru\n0.834307 0.165693 0.250000 Ru\n0.331387 0.165693 0.250000 Ru\n0.834306 0.668613 0.250000 Ru\n",
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],
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"formula_full": "Ir2 Ru6",
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"spacegroup": 194
}
]
}