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"results": [
{
"id": "jvasp-7711",
"created_at": "2022-09-04T14:36:49.699290Z",
"updated_at": "2022-09-04T14:36:49.699323Z",
"structure_string": "Zr1 Ir1\n1.0\n3.307878 0.000000 -0.000000\n0.000000 3.307878 0.000000\n0.000000 0.000000 3.307878\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "Zr1 Ir1",
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{
"id": "jvasp-79505",
"created_at": "2022-09-04T14:36:50.373626Z",
"updated_at": "2022-09-04T14:36:50.373646Z",
"structure_string": "Zr1 Ir3\n1.0\n3.985602 0.000000 -0.000000\n-0.000000 3.985602 0.000000\n0.000000 -0.000000 3.985602\nZr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-7798",
"created_at": "2022-09-04T14:37:06.585727Z",
"updated_at": "2022-09-04T14:37:06.585749Z",
"structure_string": "Zr1 Ir3\n1.0\n3.985299 0.000000 0.000000\n0.000000 3.985299 -0.000000\n0.000000 -0.000000 3.985299\nZr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Ir"
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"density": 17.52110749088585,
"density_atomic": 0.06319420587245732,
"volume": 63.29694225564068,
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"formula_full": "Zr1 Ir3",
"formula_reduced": "ZrIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.34175945,
"spacegroup": 221
},
{
"id": "jvasp-123405",
"created_at": "2022-09-04T14:38:54.796379Z",
"updated_at": "2022-09-04T14:38:54.796394Z",
"structure_string": "Zr1 Kr1\n1.0\n1.588445 -2.751264 -0.000000\n1.588445 2.751264 -0.000000\n0.000000 0.000000 7.644438\nZr Kr\n1 1\ndirect\n0.333332 0.666665 0.750000 Zr\n0.666665 0.333332 0.250000 Kr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Kr"
],
"chemical_system": "Kr-Zr",
"density": 4.34972433150888,
"density_atomic": 0.02993298236861159,
"volume": 66.81592817484321,
"volume_molar": 20.118746223947788,
"formula_full": "Zr1 Kr1",
"formula_reduced": "ZrKr",
"formula_anonymous": "AB",
"energy_above_hull": 1.550275525,
"spacegroup": 187
},
{
"id": "jvasp-20585",
"created_at": "2022-09-04T14:37:31.174461Z",
"updated_at": "2022-09-04T14:37:31.174498Z",
"structure_string": "Zr2 Mn4\n1.0\n4.289781 0.000000 2.476706\n1.429927 4.044444 2.476706\n-0.000000 0.000000 4.953412\nZr Mn\n2 4\ndirect\n0.375000 0.375000 0.375000 Zr\n0.625001 0.624999 0.625001 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.771287183069146,
"density_atomic": 0.06981566042909174,
"volume": 85.94060362852113,
"volume_molar": 8.625773534172017,
"formula_full": "Zr2 Mn4",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.718032994252873,
"spacegroup": 227
},
{
"id": "jvasp-108898",
"created_at": "2022-09-04T14:38:19.809961Z",
"updated_at": "2022-09-04T14:38:19.809994Z",
"structure_string": "Zr2 Mn6\n1.0\n5.518982 0.000000 0.000000\n-2.759491 4.779578 0.000000\n-0.000000 -0.000000 4.355475\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.749999 Zr\n0.666667 0.333333 0.250000 Zr\n0.147826 0.295654 0.250000 Mn\n0.704346 0.852174 0.250000 Mn\n0.147827 0.852174 0.250000 Mn\n0.852174 0.704346 0.749999 Mn\n0.295654 0.147826 0.749999 Mn\n0.852173 0.147826 0.749999 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.401158277047511,
"density_atomic": 0.06963152882959706,
"volume": 114.89048329784164,
"volume_molar": 8.648583280050392,
"formula_full": "Zr2 Mn6",
"formula_reduced": "ZrMn3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.290134056034482,
"spacegroup": 194
},
{
"id": "jvasp-85831",
"created_at": "2022-09-04T14:36:02.321659Z",
"updated_at": "2022-09-04T14:36:02.321686Z",
"structure_string": "Zr4 Mn8\n1.0\n4.910101 -0.000000 0.000000\n-2.455051 4.252273 0.000000\n0.000000 0.000000 8.201530\nZr Mn\n4 8\ndirect\n0.333333 0.666666 0.063575 Zr\n0.666667 0.333333 0.563575 Zr\n0.666667 0.333333 0.936425 Zr\n0.333333 0.666666 0.436425 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169890 0.339779 0.750000 Mn\n0.830110 0.169890 0.250000 Mn\n0.830110 0.660220 0.250000 Mn\n0.169890 0.830109 0.750000 Mn\n0.660221 0.830109 0.750000 Mn\n0.339779 0.169890 0.250000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "Mn-Zr",
"density": 7.800364757743073,
"density_atomic": 0.07007688743456893,
"volume": 171.24048226606024,
"volume_molar": 8.593619066804154,
"formula_full": "Zr4 Mn8",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.7177529942528738,
"spacegroup": 194
},
{
"id": "jvasp-20397",
"created_at": "2022-09-04T14:37:04.320557Z",
"updated_at": "2022-09-04T14:37:04.320579Z",
"structure_string": "Zr2 Mn4\n1.0\n4.289781 0.000000 2.476706\n1.429927 4.044444 2.476706\n0.000000 0.000000 4.953412\nZr Mn\n2 4\ndirect\n0.375000 0.375000 0.375000 Zr\n0.625001 0.624999 0.625001 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
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"density": 7.771287183069146,
"density_atomic": 0.06981566042909174,
"volume": 85.94060362852113,
"volume_molar": 8.625773534172017,
"formula_full": "Zr2 Mn4",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.718032994252873,
"spacegroup": 227
},
{
"id": "jvasp-86330",
"created_at": "2022-09-04T14:36:19.830527Z",
"updated_at": "2022-09-04T14:36:19.830553Z",
"structure_string": "Zr4 Mn8\n1.0\n4.910101 0.000000 -0.000000\n-2.455051 4.252273 -0.000000\n-0.000000 -0.000000 8.201530\nZr Mn\n4 8\ndirect\n0.333333 0.666666 0.063575 Zr\n0.666667 0.333333 0.563575 Zr\n0.666667 0.333333 0.936425 Zr\n0.333333 0.666666 0.436425 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169890 0.339779 0.750000 Mn\n0.830110 0.169890 0.250000 Mn\n0.830110 0.660220 0.250000 Mn\n0.169890 0.830109 0.750000 Mn\n0.660221 0.830109 0.750000 Mn\n0.339779 0.169890 0.250000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.800364757743073,
"density_atomic": 0.07007688743456893,
"volume": 171.24048226606024,
"volume_molar": 8.593619066804154,
"formula_full": "Zr4 Mn8",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.7177529942528738,
"spacegroup": 194
},
{
"id": "jvasp-105888",
"created_at": "2022-09-04T14:36:01.029499Z",
"updated_at": "2022-09-04T14:36:01.029523Z",
"structure_string": "Zr3 Mn1\n1.0\n4.286851 0.000000 -0.000000\n-0.000000 4.286851 -0.000000\n0.000000 0.000000 4.286851\nZr Mn\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
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"elements": [
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"density": 6.926514790537244,
"density_atomic": 0.05077440290573239,
"volume": 78.77985305758078,
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"formula_full": "Zr3 Mn1",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-108004",
"created_at": "2022-09-04T14:38:31.357172Z",
"updated_at": "2022-09-04T14:38:31.357198Z",
"structure_string": "Zr3 Mn1\n1.0\n3.917888 0.340236 -4.097740\n-0.391163 3.913131 -4.097740\n-0.282110 -0.340236 5.662308\nZr Mn\n3 1\ndirect\n0.750001 0.250000 0.500001 Zr\n0.250001 0.749999 0.500000 Zr\n0.500001 0.500000 0.000001 Zr\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
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"density": 7.047664511073592,
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"volume": 77.4256232745336,
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"formula_full": "Zr3 Mn1",
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"formula_anonymous": "AB3",
"energy_above_hull": 4.344957685344827,
"spacegroup": 139
},
{
"id": "jvasp-123410",
"created_at": "2022-09-04T14:38:50.833499Z",
"updated_at": "2022-09-04T14:38:50.833521Z",
"structure_string": "Zr1 Mn1\n1.0\n1.601811 -2.774416 -0.000000\n1.601811 2.774416 -0.000000\n0.000000 -0.000000 3.834700\nZr Mn\n1 1\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Mn\n",
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"formula_full": "Zr1 Mn1",
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"spacegroup": 187
}
]
}