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{
"id": "jvasp-16512",
"created_at": "2022-09-04T14:38:16.262342Z",
"updated_at": "2022-09-04T14:38:16.262368Z",
"structure_string": "Nd1 Fe5\n1.0\n2.550369 -4.417368 0.000000\n2.550369 4.417368 -0.000000\n-0.000000 0.000000 3.915541\nNd Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n",
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{
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"structure_string": "Np2 Fe4\n1.0\n4.189072 0.000000 2.418562\n1.396357 3.949495 2.418562\n0.000000 -0.000000 4.837124\nNp Fe\n2 4\ndirect\n0.875000 0.875001 0.874998 Np\n0.125000 0.125000 0.125000 Np\n0.500000 0.500001 0.499999 Fe\n0.500000 0.500001 -0.000001 Fe\n0.000000 0.500001 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n",
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{
"id": "jvasp-16514",
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"structure_string": "Y1 Fe5\n1.0\n2.490715 -4.314045 0.000000\n2.490715 4.314045 0.000000\n0.000000 0.000000 3.918194\nY Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Y\n0.333334 0.666668 0.000000 Fe\n0.666668 0.333334 0.000000 Fe\n0.500001 0.500001 0.499999 Fe\n0.500001 0.000000 0.499999 Fe\n0.000000 0.500001 0.499999 Fe\n",
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"formula_full": "Y1 Fe5",
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"spacegroup": 191
},
{
"id": "jvasp-16515",
"created_at": "2022-09-04T14:37:41.736958Z",
"updated_at": "2022-09-04T14:37:41.736984Z",
"structure_string": "Hf1 Ga3\n1.0\n3.613789 -0.000000 -1.426691\n-0.563244 3.569626 -1.426691\n0.011197 0.013102 5.318548\nHf Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500001 0.500001 0.000001 Ga\n0.250001 0.750001 0.500001 Ga\n0.750001 0.250000 0.500001 Ga\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Hf",
"density": 9.364099378305545,
"density_atomic": 0.058187143408276173,
"volume": 68.74370807196328,
"volume_molar": 10.349607159342778,
"formula_full": "Hf1 Ga3",
"formula_reduced": "HfGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.95224249375,
"spacegroup": 139
},
{
"id": "jvasp-16516",
"created_at": "2022-09-04T14:38:16.876055Z",
"updated_at": "2022-09-04T14:38:16.876086Z",
"structure_string": "Ga1 Ir1\n1.0\n3.060231 -0.000000 0.000000\n0.000000 3.060231 0.000000\n-0.000000 0.000000 3.060231\nGa Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
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"elements": [
"Ga",
"Ir"
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"chemical_system": "Ga-Ir",
"density": 15.177082328737246,
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"volume": 28.659105464666304,
"volume_molar": 8.629458358195285,
"formula_full": "Ga1 Ir1",
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"energy_above_hull": 1.2170017124999997,
"spacegroup": 221
},
{
"id": "jvasp-16517",
"created_at": "2022-09-04T14:38:13.232100Z",
"updated_at": "2022-09-04T14:38:13.232126Z",
"structure_string": "Tm2 Ga4 Pd2\n1.0\n4.397400 0.000000 0.000000\n-2.198700 5.019518 -0.000000\n0.000000 -0.000000 6.555270\nTm Ga Pd\n2 4 2\ndirect\n0.089374 0.178749 0.750000 Tm\n0.910626 0.821252 0.250000 Tm\n0.373881 0.747763 0.948267 Ga\n0.626119 0.252238 0.051733 Ga\n0.626119 0.252238 0.448267 Ga\n0.373881 0.747763 0.551733 Ga\n0.800579 0.601158 0.750000 Pd\n0.199421 0.398842 0.250000 Pd\n",
"nsites": 8,
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"elements": [
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"Pd"
],
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"density": 9.520713325230744,
"density_atomic": 0.05528934115048879,
"volume": 144.69335017440835,
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"formula_full": "Tm2 Ga4 Pd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 63
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{
"id": "jvasp-16519",
"created_at": "2022-09-04T14:37:42.152846Z",
"updated_at": "2022-09-04T14:37:42.152878Z",
"structure_string": "Ga3 Ni2\n1.0\n2.034439 -3.523752 0.000000\n2.034439 3.523752 -0.000000\n0.000000 -0.000000 4.906810\nGa Ni\n3 2\ndirect\n0.666667 0.333333 0.639252 Ga\n0.333333 0.666667 0.360748 Ga\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.142368 Ni\n0.333333 0.666667 0.857632 Ni\n",
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"elements": [
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"density": 7.707743502786273,
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"formula_full": "Ga3 Ni2",
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"formula_anonymous": "A2B3",
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"spacegroup": 164
},
{
"id": "jvasp-16520",
"created_at": "2022-09-04T14:38:17.095363Z",
"updated_at": "2022-09-04T14:38:17.095389Z",
"structure_string": "Ga3 Ni5\n1.0\n3.751872 0.000000 0.000000\n0.000000 5.034511 -0.578577\n0.000000 -0.004349 5.067646\nGa Ni\n3 5\ndirect\n0.500000 0.716169 0.283831 Ga\n0.500000 0.283831 0.716169 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.777546 0.777546 Ni\n0.500000 0.222454 0.222454 Ni\n0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 -0.000000 Ni\n",
"nsites": 8,
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"elements": [
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"volume": 95.71251822337585,
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"formula_full": "Ga3 Ni5",
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"formula_anonymous": "A3B5",
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"spacegroup": 65
},
{
"id": "jvasp-16521",
"created_at": "2022-09-04T14:37:48.639827Z",
"updated_at": "2022-09-04T14:37:48.639857Z",
"structure_string": "Sc1 Ga1 Ni2\n1.0\n3.695445 -0.000000 2.133566\n1.231815 3.484099 2.133566\n0.000000 0.000000 4.267132\nSc Ga Ni\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ga\n0.250001 0.250000 0.250000 Ni\n0.750002 0.750000 0.750000 Ni\n",
"nsites": 4,
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"formula_full": "Sc1 Ga1 Ni2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-16522",
"created_at": "2022-09-04T14:37:54.186210Z",
"updated_at": "2022-09-04T14:37:54.186233Z",
"structure_string": "Sc2 Ga4 Ni2\n1.0\n4.042724 0.000000 0.000000\n-2.021362 4.783422 0.000000\n0.000000 0.000000 6.425233\nSc Ga Ni\n2 4 2\ndirect\n0.076259 0.152518 0.250000 Sc\n0.923740 0.847481 0.750000 Sc\n0.364254 0.728510 0.451090 Ga\n0.635745 0.271490 0.548910 Ga\n0.635745 0.271490 0.951089 Ga\n0.364254 0.728510 0.048910 Ga\n0.794627 0.589255 0.250000 Ni\n0.205372 0.410745 0.750000 Ni\n",
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{
"id": "jvasp-16523",
"created_at": "2022-09-04T14:37:53.793213Z",
"updated_at": "2022-09-04T14:37:53.793232Z",
"structure_string": "Pr2 Ga2\n1.0\n4.185540 -0.000000 0.000000\n0.000000 4.172108 -1.639240\n-0.000000 -0.008100 6.108321\nPr Ga\n2 2\ndirect\n0.750000 0.141700 0.283401 Pr\n0.250000 0.858300 0.716599 Pr\n0.750000 0.429211 0.858420 Ga\n0.250000 0.570790 0.141580 Ga\n",
"nsites": 4,
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},
{
"id": "jvasp-16524",
"created_at": "2022-09-04T14:37:47.276777Z",
"updated_at": "2022-09-04T14:37:47.276794Z",
"structure_string": "Pr3 Ga1\n1.0\n4.877066 0.000000 0.000000\n-0.000000 4.877066 -0.000000\n0.000000 -0.000000 4.877066\nPr Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Ga\n",
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}
]
}