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{
"id": "jvasp-76981",
"created_at": "2022-09-04T14:38:12.656861Z",
"updated_at": "2022-09-04T14:38:12.656878Z",
"structure_string": "Sc2 Ir1 Pt1\n1.0\n-8.852727 -0.000000 -5.111123\n-5.857137 0.263456 -0.077390\n-5.027482 2.610074 -1.514393\nSc Ir Pt\n2 1 1\ndirect\n0.753874 0.000001 -0.000000 Sc\n0.246125 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000001 -0.000000 Pt\n",
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{
"id": "jvasp-41877",
"created_at": "2022-09-04T14:37:32.699044Z",
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"structure_string": "Sc2 Ir1 Ru1\n1.0\n0.000000 3.208262 3.208262\n3.208262 0.000000 3.208262\n3.208262 3.208262 -0.000000\nSc Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ru\n",
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"volume": 66.04492901230368,
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"formula_full": "Sc2 Ir1 Ru1",
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{
"id": "jvasp-20641",
"created_at": "2022-09-04T14:38:08.993689Z",
"updated_at": "2022-09-04T14:38:08.993712Z",
"structure_string": "Sc2 Ir4\n1.0\n4.534842 -0.000000 2.618192\n1.511614 4.275489 2.618192\n-0.000000 0.000000 5.236384\nSc Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.874999 0.875000 0.874999 Sc\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.499999 0.500000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Ir"
],
"chemical_system": "Ir-Sc",
"density": 14.045962004056033,
"density_atomic": 0.0590978674370453,
"volume": 101.52650611955788,
"volume_molar": 10.190115178716315,
"formula_full": "Sc2 Ir4",
"formula_reduced": "ScIr2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-75843",
"created_at": "2022-09-04T14:35:52.841365Z",
"updated_at": "2022-09-04T14:35:52.841392Z",
"structure_string": "Sc2 Mn1 As1\n1.0\n0.000000 3.151112 3.151112\n3.151112 0.000000 3.151112\n3.151112 3.151112 -0.000000\nSc Mn As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"As"
],
"chemical_system": "As-Mn-Sc",
"density": 5.831749948054419,
"density_atomic": 0.06392025177106676,
"volume": 62.577976293431675,
"volume_molar": 9.421334542874716,
"formula_full": "Sc2 Mn1 As1",
"formula_reduced": "Sc2MnAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8867048728448275,
"spacegroup": 216
},
{
"id": "jvasp-37105",
"created_at": "2022-09-04T14:37:58.823120Z",
"updated_at": "2022-09-04T14:37:58.823136Z",
"structure_string": "Sc2 Mn1 C1\n1.0\n2.943435 2.943435 -0.000000\n2.943435 -0.000000 -2.943435\n0.000000 2.943435 -2.943435\nSc Mn C\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.750001 0.750001 Sc\n0.500001 0.500001 0.500001 Mn\n0.250000 0.250000 0.250000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"C"
],
"chemical_system": "C-Mn-Sc",
"density": 5.107043284541971,
"density_atomic": 0.07842718851173584,
"volume": 51.00272081538968,
"volume_molar": 7.678639097331465,
"formula_full": "Sc2 Mn1 C1",
"formula_reduced": "Sc2MnC",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.040141935344827,
"spacegroup": 216
},
{
"id": "jvasp-37106",
"created_at": "2022-09-04T14:38:06.238204Z",
"updated_at": "2022-09-04T14:38:06.238221Z",
"structure_string": "Sc2 Mn1 C1\n1.0\n2.995688 2.995688 -0.000000\n2.995688 0.000000 -2.995688\n0.000000 2.995688 -2.995688\nSc Mn C\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
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"elements": [
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"Mn",
"C"
],
"chemical_system": "C-Mn-Sc",
"density": 4.8444351724992165,
"density_atomic": 0.07439440187563523,
"volume": 53.767486519843,
"volume_molar": 8.094884303347428,
"formula_full": "Sc2 Mn1 C1",
"formula_reduced": "Sc2MnC",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37104",
"created_at": "2022-09-04T14:35:47.592211Z",
"updated_at": "2022-09-04T14:35:47.592237Z",
"structure_string": "Sc2 Mn1 Ge1\n1.0\n3.205248 3.205248 0.000000\n3.205248 0.000000 -3.205248\n-0.000000 3.205248 -3.205248\nSc Mn Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
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"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sc",
"density": 5.4836940946633765,
"density_atomic": 0.06073584555656864,
"volume": 65.85896620595243,
"volume_molar": 9.915299120008216,
"formula_full": "Sc2 Mn1 Ge1",
"formula_reduced": "Sc2MnGe",
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},
{
"id": "jvasp-37107",
"created_at": "2022-09-04T14:38:03.716753Z",
"updated_at": "2022-09-04T14:38:03.716771Z",
"structure_string": "Sc2 Mn1 Ge1\n1.0\n3.220455 3.220455 0.000000\n3.220455 0.000000 -3.220455\n0.000000 3.220455 -3.220455\nSc Mn Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.749999 0.749999 Sc\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"Mn",
"Ge"
],
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"density": 5.406378263064741,
"density_atomic": 0.05987951726290574,
"volume": 66.80080573191138,
"volume_molar": 10.057096374974629,
"formula_full": "Sc2 Mn1 Ge1",
"formula_reduced": "Sc2MnGe",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37097",
"created_at": "2022-09-04T14:38:07.651109Z",
"updated_at": "2022-09-04T14:38:07.651137Z",
"structure_string": "Sc2 Mn1 Si1\n1.0\n3.167835 3.167835 0.000000\n3.167835 0.000000 -3.167835\n0.000000 3.167835 -3.167835\nSc Mn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.749999 0.749999 0.749999 Sc\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
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"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Sc-Si",
"density": 4.516637835354763,
"density_atomic": 0.06291328135622219,
"volume": 63.57957991972383,
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"formula_full": "Sc2 Mn1 Si1",
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"spacegroup": 216
},
{
"id": "jvasp-37103",
"created_at": "2022-09-04T14:37:58.603669Z",
"updated_at": "2022-09-04T14:37:58.603688Z",
"structure_string": "Sc2 Mn1 Si1\n1.0\n3.195584 3.195584 0.000000\n3.195584 -0.000000 -3.195584\n0.000000 3.195584 -3.195584\nSc Mn Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.749999 0.749999 Sc\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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"Mn",
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],
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"density_atomic": 0.06128854081635902,
"volume": 65.26505520804189,
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"spacegroup": 225
},
{
"id": "jvasp-79498",
"created_at": "2022-09-04T14:37:16.536821Z",
"updated_at": "2022-09-04T14:37:16.536859Z",
"structure_string": "Sc2 Mn1 Si1\n1.0\n-3.195691 -3.195691 -0.000000\n-3.195691 -0.000000 -3.195691\n0.000000 -3.195691 -3.195691\nSc Mn Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
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"volume": 65.27161137562065,
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},
{
"id": "jvasp-79463",
"created_at": "2022-09-04T14:37:07.572038Z",
"updated_at": "2022-09-04T14:37:07.572062Z",
"structure_string": "Sc2 Mn1 Sn1\n1.0\n3.341890 3.341890 -0.000000\n3.341890 0.000000 -3.341890\n-0.000000 3.341890 -3.341890\nSc Mn Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Sc2 Mn1 Sn1",
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}