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{
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"results": [
{
"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,
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"elements": [
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"density": 12.686233328694335,
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"formula_full": "Zr4 Ir4",
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"spacegroup": 63
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{
"id": "jvasp-12287",
"created_at": "2022-09-04T14:36:51.481707Z",
"updated_at": "2022-09-04T14:36:51.481737Z",
"structure_string": "Zr4 Mn4 Ge4\n1.0\n3.754457 0.000000 0.000000\n-0.000000 6.709582 0.000000\n0.000000 0.000000 7.832930\nZr Mn Ge\n4 4 4\ndirect\n0.250000 0.533808 0.680169 Zr\n0.250000 0.033808 0.819831 Zr\n0.750001 0.966191 0.180169 Zr\n0.750001 0.466192 0.319831 Zr\n0.750001 0.866143 0.563608 Mn\n0.250000 0.133857 0.436392 Mn\n0.750001 0.366143 0.936392 Mn\n0.250000 0.633856 0.063608 Mn\n0.750001 0.737061 0.876949 Ge\n0.250000 0.762939 0.376949 Ge\n0.250000 0.262939 0.123051 Ge\n0.750001 0.237061 0.623051 Ge\n",
"nsites": 12,
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"density": 7.365353921702076,
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"volume": 197.31806370032987,
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"formula_full": "Zr4 Mn4 Ge4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-119115",
"created_at": "2022-09-04T14:38:34.930457Z",
"updated_at": "2022-09-04T14:38:34.930483Z",
"structure_string": "Zr4 Mn4 Ni4\n1.0\n4.982618 0.006124 0.000000\n-2.621228 4.237415 0.000000\n0.000000 -0.000000 7.970523\nZr Mn Ni\n4 4 4\ndirect\n0.334638 0.665360 0.189846 Zr\n0.665056 0.334943 0.310583 Zr\n0.665056 0.334943 0.689416 Zr\n0.334638 0.665360 0.810154 Zr\n0.006544 0.993454 0.241172 Mn\n0.006544 0.993454 0.758828 Mn\n0.824347 0.668849 -0.000000 Mn\n0.331149 0.175651 -0.000000 Mn\n0.824033 0.175966 -0.000000 Ni\n0.168657 0.329704 0.500000 Ni\n0.670295 0.831341 0.500000 Ni\n0.167607 0.832391 0.500000 Ni\n",
"nsites": 12,
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"elements": [
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"Mn",
"Ni"
],
"chemical_system": "Mn-Ni-Zr",
"density": 8.079437453228596,
"density_atomic": 0.07125342890706103,
"volume": 168.41294775655115,
"volume_molar": 8.451720643303977,
"formula_full": "Zr4 Mn4 Ni4",
"formula_reduced": "ZrMnNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7290747137931035,
"spacegroup": 38
},
{
"id": "jvasp-23377",
"created_at": "2022-09-04T14:37:35.882156Z",
"updated_at": "2022-09-04T14:37:35.882169Z",
"structure_string": "Zr4 Mn4 P4\n1.0\n3.808388 -0.000000 0.000000\n0.000000 6.279185 0.000000\n0.000000 0.000000 7.222657\nZr Mn P\n4 4 4\ndirect\n0.250000 0.516363 0.684311 Zr\n0.250000 0.016363 0.815690 Zr\n0.750000 0.983638 0.184310 Zr\n0.750000 0.483638 0.315690 Zr\n0.750000 0.348605 0.938242 Mn\n0.250000 0.151395 0.438242 Mn\n0.750000 0.848606 0.561759 Mn\n0.250000 0.651396 0.061758 Mn\n0.250000 0.285805 0.116359 P\n0.250000 0.785805 0.383642 P\n0.750000 0.714196 0.883642 P\n0.750000 0.214196 0.616359 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"P"
],
"chemical_system": "Mn-P-Zr",
"density": 6.811989837967162,
"density_atomic": 0.06947679698792537,
"volume": 172.71953400623124,
"volume_molar": 8.667844548226094,
"formula_full": "Zr4 Mn4 P4",
"formula_reduced": "ZrMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 3.087795747126437,
"spacegroup": 62
},
{
"id": "jvasp-23747",
"created_at": "2022-09-04T14:37:45.903647Z",
"updated_at": "2022-09-04T14:37:45.903664Z",
"structure_string": "Zr4 Mn4 Si4\n1.0\n4.084634 0.000000 0.000000\n0.000000 6.499664 0.000000\n0.000000 0.000000 6.921241\nZr Mn Si\n4 4 4\ndirect\n0.250000 0.486842 0.696260 Zr\n0.250000 -0.013158 0.803740 Zr\n0.749999 0.013158 0.196260 Zr\n0.749999 0.513157 0.303740 Zr\n0.749999 0.340560 0.938785 Mn\n0.250000 0.159440 0.438785 Mn\n0.749999 0.840559 0.561215 Mn\n0.250000 0.659440 0.061215 Mn\n0.250000 0.293891 0.105224 Si\n0.250000 0.793891 0.394776 Si\n0.749999 0.706108 0.894776 Si\n0.749999 0.206109 0.605224 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Zr",
"density": 6.298653686425236,
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"volume": 183.7502870527606,
"volume_molar": 9.221417444351081,
"formula_full": "Zr4 Mn4 Si4",
"formula_reduced": "ZrMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 3.2607301137931035,
"spacegroup": 62
},
{
"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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"Mn"
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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-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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],
"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-36536",
"created_at": "2022-09-04T14:37:16.504245Z",
"updated_at": "2022-09-04T14:37:16.504277Z",
"structure_string": "Zr4 N2\n1.0\n5.425948 -0.000000 0.000000\n0.000000 5.425948 0.000000\n0.000000 0.000000 3.309769\nZr N\n4 2\ndirect\n0.295827 0.295827 0.000000 Zr\n0.704173 0.704173 0.000000 Zr\n0.204173 0.795828 0.500000 Zr\n0.795828 0.204173 0.500000 Zr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 6,
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"elements": [
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"density": 6.695647441310887,
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"volume": 97.44261687210785,
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"formula_full": "Zr4 N2",
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},
{
"id": "jvasp-43469",
"created_at": "2022-09-04T14:37:12.273529Z",
"updated_at": "2022-09-04T14:37:12.273549Z",
"structure_string": "Zr4 N4 O2\n1.0\n3.478745 0.001332 0.008843\n-0.001745 4.329322 0.006212\n-0.021501 -1.609346 8.568877\nZr N O\n4 4 2\ndirect\n0.750129 0.290622 0.106440 Zr\n0.750324 0.122859 0.670744 Zr\n0.250269 0.877999 0.328285 Zr\n0.250351 0.710236 0.892588 Zr\n0.250059 0.330254 0.248792 N\n0.249918 0.215619 0.901784 N\n0.749676 0.785240 0.097246 N\n0.750149 0.670603 0.750237 N\n0.750253 0.812287 0.437274 O\n0.250279 0.188571 0.561755 O\n",
"nsites": 10,
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"elements": [
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"density": 5.826205487072279,
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"volume": 129.0881367943156,
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"formula_full": "Zr4 N4 O2",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0937138,
"spacegroup": 11
},
{
"id": "jvasp-21000",
"created_at": "2022-09-04T14:38:17.387915Z",
"updated_at": "2022-09-04T14:38:17.387931Z",
"structure_string": "Zr4 Nb4 P4\n1.0\n3.593162 -0.000000 0.000000\n-0.000000 6.924571 0.000000\n0.000000 0.000000 8.369659\nZr Nb P\n4 4 4\ndirect\n0.250000 0.036504 0.668541 Zr\n0.750000 0.463496 0.168541 Zr\n0.250000 0.536504 0.831459 Zr\n0.750000 0.963496 0.331459 Zr\n0.250000 0.638475 0.440651 Nb\n0.750000 0.361525 0.559349 Nb\n0.250000 0.138475 0.059349 Nb\n0.750000 0.861525 0.940651 Nb\n0.750000 0.241177 0.857296 P\n0.250000 0.258823 0.357296 P\n0.750000 0.741177 0.642704 P\n0.250000 0.758823 0.142704 P\n",
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"density": 6.86088953752045,
"density_atomic": 0.05762405432625905,
"volume": 208.24636760297597,
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{
"id": "jvasp-14657",
"created_at": "2022-09-04T14:36:07.305692Z",
"updated_at": "2022-09-04T14:36:07.305713Z",
"structure_string": "Zr4 Ni2\n1.0\n4.532132 -0.000000 2.601106\n2.266067 4.590013 1.300553\n-0.018707 0.000000 5.281512\nZr Ni\n4 2\ndirect\n0.162388 0.500000 0.175226 Zr\n0.337613 0.824773 0.500000 Zr\n0.662387 0.175226 0.500000 Zr\n0.837612 0.500000 0.824774 Zr\n0.250000 0.000000 0.000000 Ni\n0.750000 0.000000 0.000001 Ni\n",
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"formula_full": "Zr4 Ni2",
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},
{
"id": "jvasp-22353",
"created_at": "2022-09-04T14:37:41.988277Z",
"updated_at": "2022-09-04T14:37:41.988287Z",
"structure_string": "Zr4 Ni2 As4\n1.0\n1.972924 -3.417203 -0.000000\n1.972924 3.417203 -0.000000\n0.000000 0.000000 13.194864\nZr Ni As\n4 2 4\ndirect\n0.666666 0.333332 0.611679 Zr\n0.333332 0.666666 0.111679 Zr\n0.333332 0.666666 0.388321 Zr\n0.666666 0.333332 0.888321 Zr\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.333332 0.666666 0.750000 As\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.666666 0.333332 0.250000 As\n",
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}
]
}