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{
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"results": [
{
"id": "jvasp-16368",
"created_at": "2022-09-04T14:37:54.909760Z",
"updated_at": "2022-09-04T14:37:54.909786Z",
"structure_string": "Mn1 Al1 Pt2\n1.0\n3.795063 -0.000000 2.191080\n1.265021 3.578019 2.191080\n0.000000 -0.000000 4.382161\nMn Al Pt\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Pt\n0.749999 0.750000 0.750000 Pt\n",
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{
"id": "jvasp-16367",
"created_at": "2022-09-04T14:37:53.753059Z",
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"structure_string": "Mn2 Al2 Pt2\n1.0\n2.173847 -3.765213 -0.000000\n2.173847 3.765213 -0.000000\n-0.000000 -0.000000 5.374516\nMn Al Pt\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333334 0.666668 0.250000 Al\n0.666668 0.333334 0.750001 Al\n0.333334 0.666668 0.750001 Pt\n0.666668 0.333334 0.250000 Pt\n",
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{
"id": "jvasp-41230",
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"structure_string": "Mn2 Al1 Re1\n1.0\n0.000000 2.921092 2.921092\n2.921092 0.000000 2.921092\n2.921092 2.921092 0.000000\nMn Al Re\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.249999 0.249999 0.249999 Al\n0.749999 0.749999 0.749999 Re\n",
"nsites": 4,
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"elements": [
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"Re"
],
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"density": 10.761499920585424,
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"volume": 49.85006186737361,
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"formula_full": "Mn2 Al1 Re1",
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"spacegroup": 225
},
{
"id": "jvasp-107044",
"created_at": "2022-09-04T14:36:58.280446Z",
"updated_at": "2022-09-04T14:36:58.280464Z",
"structure_string": "Mn1 Al1 Rh2\n1.0\n3.017970 -0.000000 0.000000\n0.000000 3.017970 0.000000\n-0.000000 -0.000000 6.035081\nMn Al Rh\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.243741 Rh\n0.500000 0.500000 0.756259 Rh\n",
"nsites": 4,
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"elements": [
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"Al",
"Rh"
],
"chemical_system": "Al-Mn-Rh",
"density": 8.6920493605049,
"density_atomic": 0.07276910796898367,
"volume": 54.9683802872081,
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"formula_full": "Mn1 Al1 Rh2",
"formula_reduced": "MnAlRh2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-16369",
"created_at": "2022-09-04T14:37:54.530110Z",
"updated_at": "2022-09-04T14:37:54.530137Z",
"structure_string": "Mn1 Al1 Rh2\n1.0\n3.693989 0.000000 2.132725\n1.231329 3.482726 2.132725\n0.000000 0.000000 4.265451\nMn Al Rh\n1 1 2\ndirect\n0.500000 0.500001 0.500001 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750001 0.750001 Rh\n",
"nsites": 4,
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"elements": [
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"Rh"
],
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"density_atomic": 0.07289204389912146,
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-79923",
"created_at": "2022-09-04T14:36:51.866058Z",
"updated_at": "2022-09-04T14:36:51.866073Z",
"structure_string": "Mn1 Al1 Ru2\n1.0\n0.000001 2.986931 2.986932\n2.986932 0.000001 2.986933\n2.986932 2.986932 -0.000000\nMn Al Ru\n1 1 2\ndirect\n0.749997 0.749999 0.750003 Mn\n0.250001 0.249999 0.249998 Al\n0.000000 0.999999 0.999998 Ru\n0.500000 0.500001 0.499999 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.85019187334497,
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"volume": 53.29737960038718,
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"formula_full": "Mn1 Al1 Ru2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-28435",
"created_at": "2022-09-04T14:37:05.025289Z",
"updated_at": "2022-09-04T14:37:05.025320Z",
"structure_string": "Mn1 Al2 S4\n1.0\n-1.782797 -3.087893 -0.000000\n1.782797 -3.087893 -0.000000\n0.000000 -2.058596 11.935906\nMn Al S\n1 2 4\ndirect\n0.936718 0.936718 0.189843 Mn\n0.700053 0.700053 0.899841 Al\n0.468707 0.468707 0.593878 Al\n0.000149 0.000149 0.999555 S\n0.829451 0.829451 0.511645 S\n0.585747 0.585747 0.242760 S\n0.406374 0.406374 0.780879 S\n",
"nsites": 7,
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"elements": [
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],
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"density": 2.9966986415884116,
"density_atomic": 0.05326580769918407,
"volume": 131.4163870288449,
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"formula_full": "Mn1 Al2 S4",
"formula_reduced": "Mn(AlS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 160
},
{
"id": "jvasp-13140",
"created_at": "2022-09-04T14:37:13.645838Z",
"updated_at": "2022-09-04T14:37:13.645868Z",
"structure_string": "Sc1 Mn4 Al8\n1.0\n4.566417 0.000000 1.863340\n2.283210 6.151910 0.931670\n-0.041041 0.000000 6.627621\nSc Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.336110 0.663890 0.663890 Al\n0.000000 0.336110 0.663890 Al\n0.000000 0.663890 0.336110 Al\n0.663891 0.336110 0.336110 Al\n0.284326 0.215675 0.215675 Al\n0.500000 0.784325 0.215675 Al\n0.500000 0.215675 0.784325 Al\n0.715675 0.784325 0.784325 Al\n",
"nsites": 13,
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"elements": [
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],
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"density": 4.275214068067341,
"density_atomic": 0.06964727664200478,
"volume": 186.6548216496897,
"volume_molar": 8.646627765439437,
"formula_full": "Sc1 Mn4 Al8",
"formula_reduced": "Sc(MnAl2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.0989297396551723,
"spacegroup": 139
},
{
"id": "jvasp-22209",
"created_at": "2022-09-04T14:37:34.611947Z",
"updated_at": "2022-09-04T14:37:34.611970Z",
"structure_string": "Mn6 Al18 Si2\n1.0\n3.748678 -6.492900 -0.000000\n3.748678 6.492900 -0.000000\n-0.000000 0.000000 7.679474\nMn Al Si\n6 18 2\ndirect\n0.756870 0.878435 0.250000 Mn\n0.121566 0.878434 0.250000 Mn\n0.878435 0.756870 0.750000 Mn\n0.243131 0.121566 0.750000 Mn\n0.878434 0.121566 0.750000 Mn\n0.121566 0.243131 0.250000 Mn\n0.801581 0.603162 0.435465 Al\n0.198419 0.801581 0.935465 Al\n0.603162 0.801581 0.935465 Al\n0.396838 0.198419 0.435465 Al\n0.084132 0.542066 0.250000 Al\n0.198419 0.396838 0.935465 Al\n0.542066 0.084132 0.750000 Al\n0.457934 0.542066 0.250000 Al\n0.801581 0.603162 0.064535 Al\n0.457934 0.915869 0.250000 Al\n0.542066 0.457934 0.750000 Al\n0.396838 0.198419 0.064535 Al\n0.603162 0.801581 0.564535 Al\n0.198419 0.396838 0.564535 Al\n0.198419 0.801581 0.564535 Al\n0.801581 0.198419 0.064535 Al\n0.801581 0.198419 0.435465 Al\n0.915869 0.457934 0.750000 Al\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 26,
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"elements": [
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],
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"density": 3.8709869260427294,
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"formula_full": "Mn6 Al18 Si2",
"formula_reduced": "Mn3Al9Si",
"formula_anonymous": "AB3C9",
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"spacegroup": 194
},
{
"id": "jvasp-39056",
"created_at": "2022-09-04T14:37:53.660975Z",
"updated_at": "2022-09-04T14:37:53.661002Z",
"structure_string": "Sm1 Mn4 Al8\n1.0\n-4.418329 4.418329 2.480966\n4.418329 -4.418329 2.480966\n4.418329 4.418329 -2.480966\nSm Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500000 Mn\n1.000000 1.000000 0.500000 Mn\n0.500001 0.000001 0.000000 Mn\n0.000001 0.500001 0.000000 Mn\n0.500000 0.279593 0.779592 Al\n0.500001 0.720408 0.220407 Al\n0.720408 0.500001 0.220407 Al\n0.279593 0.500000 0.779592 Al\n-0.000000 0.658048 0.658048 Al\n-0.000000 0.341952 0.341952 Al\n0.341952 -0.000000 0.341952 Al\n0.658048 -0.000000 0.658048 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
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],
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"density": 5.022540969098095,
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"volume": 193.73001261300297,
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"formula_full": "Sm1 Mn4 Al8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 139
},
{
"id": "jvasp-40641",
"created_at": "2022-09-04T14:38:01.218830Z",
"updated_at": "2022-09-04T14:38:01.218855Z",
"structure_string": "Sm6 Mn2 Al2 S14\n1.0\n0.000000 9.669270 0.000069\n6.138686 0.000000 0.000000\n0.000000 -4.834614 -8.373861\nSm Mn Al S\n6 2 2 14\ndirect\n0.375068 0.225256 0.214664 Sm\n0.624932 0.725257 0.785336 Sm\n0.785337 0.225257 0.160404 Sm\n0.839597 0.225258 0.624933 Sm\n0.160403 0.725258 0.375067 Sm\n0.214663 0.725257 0.839596 Sm\n0.000000 0.060525 0.000000 Mn\n-0.000000 0.560526 -0.000000 Mn\n0.666670 0.651121 0.333334 Al\n0.333330 0.151121 0.666666 Al\n0.563399 0.506131 0.475551 S\n0.912146 0.506131 0.436597 S\n0.475551 0.006130 0.912149 S\n0.524450 0.506131 0.087851 S\n0.124398 0.315179 0.903402 S\n0.096598 0.315180 0.220995 S\n0.333332 0.512652 0.666665 S\n0.875602 0.815179 0.096598 S\n0.779005 0.315181 0.875603 S\n0.220995 0.815181 0.124396 S\n0.436601 0.006131 0.524449 S\n0.666668 0.012652 0.333335 S\n0.903402 0.815180 0.779005 S\n0.087854 0.006130 0.563403 S\n",
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],
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"density": 5.061073284734705,
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"volume": 497.0419737002354,
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"formula_full": "Sm6 Mn2 Al2 S14",
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"formula_anonymous": "ABC3D7",
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},
{
"id": "jvasp-40234",
"created_at": "2022-09-04T14:37:48.848248Z",
"updated_at": "2022-09-04T14:37:48.848267Z",
"structure_string": "Ta1 Mn2 Al1\n1.0\n0.000000 2.994185 2.994185\n2.994185 0.000000 2.994185\n2.994185 2.994185 -0.000000\nTa Mn Al\n1 2 1\ndirect\n0.750002 0.750002 0.750002 Ta\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.250000 0.250000 0.250000 Al\n",
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],
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"formula_full": "Ta1 Mn2 Al1",
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}
]
}