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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3532",
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"results": [
{
"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,
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"elements": [
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"spacegroup": 227
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{
"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,
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"elements": [
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"volume": 171.24048226606024,
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"formula_full": "Zr4 Mn8",
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{
"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": [
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"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-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": [
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"chemical_system": "Mn-Zr",
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"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-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": [
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"Kr"
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"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-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",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ir-Zr",
"density": 17.51711173919386,
"density_atomic": 0.06317979420611887,
"volume": 63.31138064410799,
"volume_molar": 9.531751148718945,
"formula_full": "Zr1 Ir3",
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"spacegroup": 221
},
{
"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",
"nsites": 2,
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"elements": [
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"chemical_system": "Ir-Zr",
"density": 13.003591501195809,
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"volume": 36.194989171483,
"volume_molar": 10.89856597986732,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.5421428000000006,
"spacegroup": 221
},
{
"id": "jvasp-86794",
"created_at": "2022-09-04T14:36:00.892471Z",
"updated_at": "2022-09-04T14:36:00.892491Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392922 -0.000000 -0.582894\n0.000000 4.358576 0.000000\n-0.021888 0.000000 10.038834\nZr Ir\n4 4\ndirect\n0.695084 0.750001 0.390168 Zr\n0.438774 0.750001 0.877548 Zr\n0.304915 0.250000 0.609832 Zr\n0.561225 0.250000 0.122452 Zr\n0.056503 0.750001 0.113006 Ir\n0.831549 0.750001 0.663099 Ir\n0.943496 0.250000 0.886994 Ir\n0.168450 0.250000 0.336901 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"chemical_system": "Ir-Zr",
"density": 12.686233328694335,
"density_atomic": 0.0539077147244063,
"volume": 148.4017647733463,
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"formula_full": "Zr4 Ir4",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.4913578000000003,
"spacegroup": 63
},
{
"id": "jvasp-86192",
"created_at": "2022-09-04T14:35:49.155422Z",
"updated_at": "2022-09-04T14:35:49.155449Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392747 0.000000 -0.582864\n0.000000 4.358677 -0.000000\n-0.021785 -0.000000 10.038910\nZr Ir\n4 4\ndirect\n0.695086 0.750000 0.390169 Zr\n0.438773 0.750000 0.877543 Zr\n0.304916 0.250000 0.609832 Zr\n0.561229 0.250000 0.122458 Zr\n0.056500 0.750000 0.113000 Ir\n0.831547 0.750000 0.663092 Ir\n0.943502 0.250000 0.887000 Ir\n0.168455 0.250000 0.336909 Ir\n",
"nsites": 8,
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"elements": [
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"density": 12.68647525971402,
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"volume": 148.39893475243505,
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"formula_full": "Zr4 Ir4",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"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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"spacegroup": 221
},
{
"id": "jvasp-18947",
"created_at": "2022-09-04T14:37:14.702155Z",
"updated_at": "2022-09-04T14:37:14.702176Z",
"structure_string": "Zr2 Ir4\n1.0\n4.553002 0.000000 2.628676\n1.517667 4.292611 2.628676\n-0.000000 0.000000 5.257353\nZr Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Zr\n0.875000 0.875000 0.875001 Zr\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.500000 0.500000 0.000001 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 6,
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"volume": 102.75110794950635,
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"formula_full": "Zr2 Ir4",
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"spacegroup": 227
},
{
"id": "jvasp-93855",
"created_at": "2022-09-04T14:36:31.644284Z",
"updated_at": "2022-09-04T14:36:31.644311Z",
"structure_string": "Zr4 Ir2\n1.0\n-3.260140 3.260140 -2.870664\n3.260140 -3.260140 -2.870664\n-3.260140 -3.260140 2.870664\nZr Ir\n4 2\ndirect\n0.831305 0.331305 0.162612 Zr\n0.168694 0.668694 0.837388 Zr\n0.668693 0.831305 0.500000 Zr\n0.331306 0.168694 0.500000 Zr\n0.749999 0.749999 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n",
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"formula_full": "Zr4 Ir2",
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"formula_anonymous": "AB2",
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"spacegroup": 140
}
]
}