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{
"id": "jvasp-37952",
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"updated_at": "2022-09-04T14:37:49.740433Z",
"structure_string": "Ac2 Mg1\n1.0\n-2.492436 -1.439007 -2.877810\n-2.492436 -1.439007 2.877810\n-0.976505 7.447393 -0.000000\nAc Mg\n2 1\ndirect\n0.098158 0.098159 0.029650 Ac\n0.401842 0.401843 0.637017 Ac\n0.750001 0.750002 0.333334 Mg\n",
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{
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"created_at": "2022-09-04T14:38:06.429078Z",
"updated_at": "2022-09-04T14:38:06.429101Z",
"structure_string": "Ac1 Mg3\n1.0\n-2.725098 2.725098 3.854917\n2.725098 -2.725098 3.854917\n2.725098 2.725098 -3.854917\nAc Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.499999 0.499999 0.000000 Mg\n0.750002 0.250001 0.500000 Mg\n0.250001 0.750002 0.500000 Mg\n",
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{
"id": "jvasp-101537",
"created_at": "2022-09-04T14:36:35.434964Z",
"updated_at": "2022-09-04T14:36:35.434974Z",
"structure_string": "Ac2 Mg6\n1.0\n7.188754 -0.000000 0.000000\n-3.594377 6.225643 0.000000\n0.000000 0.000000 5.258136\nAc Mg\n2 6\ndirect\n0.666666 0.333333 0.250000 Ac\n0.333333 0.666666 0.750001 Ac\n0.151814 0.303629 0.250000 Mg\n0.151813 0.848186 0.250000 Mg\n0.696370 0.848186 0.250000 Mg\n0.303629 0.151814 0.750001 Mg\n0.848185 0.151814 0.750001 Mg\n0.848185 0.696371 0.750001 Mg\n",
"nsites": 8,
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"elements": [
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"density": 4.232603923109915,
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"volume": 235.32585765474465,
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"formula_full": "Ac2 Mg6",
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"spacegroup": 194
},
{
"id": "jvasp-102104",
"created_at": "2022-09-04T14:36:36.447028Z",
"updated_at": "2022-09-04T14:36:36.447050Z",
"structure_string": "Ac4 Mg2\n1.0\n9.511466 0.025226 -0.000000\n-8.634372 3.989517 0.000000\n-0.000000 0.000000 6.050647\nAc Mg\n4 2\ndirect\n0.227057 0.772945 0.250000 Ac\n0.916206 0.083796 0.250000 Ac\n0.772945 0.227057 0.750000 Ac\n0.083796 0.916206 0.750000 Ac\n0.570990 0.429012 0.250000 Mg\n0.429012 0.570990 0.750000 Mg\n",
"nsites": 6,
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"elements": [
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"Mg"
],
"chemical_system": "Ac-Mg",
"density": 6.879053664808913,
"density_atomic": 0.02598339729632094,
"volume": 230.91668620444628,
"volume_molar": 23.17687980259876,
"formula_full": "Ac4 Mg2",
"formula_reduced": "Ac2Mg",
"formula_anonymous": "AB2",
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"spacegroup": 63
},
{
"id": "jvasp-41237",
"created_at": "2022-09-04T14:37:53.436219Z",
"updated_at": "2022-09-04T14:37:53.436239Z",
"structure_string": "Ac1 Mg5\n1.0\n3.078912 -5.332831 -0.000000\n3.078912 5.332831 0.000000\n-0.000000 -0.000000 4.970926\nAc Mg\n1 5\ndirect\n-0.000000 0.000000 0.500000 Ac\n0.499817 0.499817 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.500182 -0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Mg\n-0.000000 0.500182 -0.000000 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ac-Mg",
"density": 3.5453624647897,
"density_atomic": 0.03675605218947701,
"volume": 163.23842313287815,
"volume_molar": 16.384079359110544,
"formula_full": "Ac1 Mg5",
"formula_reduced": "AcMg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-78729",
"created_at": "2022-09-04T14:37:02.823566Z",
"updated_at": "2022-09-04T14:37:02.823586Z",
"structure_string": "Ac1 Mg1\n1.0\n2.888383 0.000000 2.917639\n0.000000 4.105189 0.000000\n-0.028740 0.000000 5.804844\nAc Mg\n1 1\ndirect\n0.499995 0.000000 0.995579 Ac\n0.500002 0.500001 0.495600 Mg\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Ac-Mg",
"density": 6.032608796752788,
"density_atomic": 0.02891245246741141,
"volume": 69.17434632203181,
"volume_molar": 20.828882526613192,
"formula_full": "Ac1 Mg1",
"formula_reduced": "AcMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.318025,
"spacegroup": 221
},
{
"id": "jvasp-100948",
"created_at": "2022-09-04T14:36:53.484006Z",
"updated_at": "2022-09-04T14:36:53.484034Z",
"structure_string": "Ac1 Nd1 Mg2\n1.0\n4.877854 -0.000000 2.816231\n1.625951 4.598885 2.816231\n-0.000000 -0.000000 5.632461\nAc Nd Mg\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Ac\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750001 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"Nd",
"Mg"
],
"chemical_system": "Ac-Mg-Nd",
"density": 5.5177978238652186,
"density_atomic": 0.03165777959092371,
"volume": 126.35124925649556,
"volume_molar": 19.02262520561154,
"formula_full": "Ac1 Nd1 Mg2",
"formula_reduced": "AcNdMg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-110397",
"created_at": "2022-09-04T14:38:37.883508Z",
"updated_at": "2022-09-04T14:38:37.883536Z",
"structure_string": "Ac1 Mg1 O3\n1.0\n3.999334 -0.000000 0.000000\n0.000000 3.999334 0.000000\n-0.000000 0.000000 3.999334\nAc Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.499999 0.499999 0.499999 Mg\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
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"Mg",
"O"
],
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"density": 7.769578013683035,
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"volume": 63.9680373223766,
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"formula_full": "Ac1 Mg1 O3",
"formula_reduced": "AcMgO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-102453",
"created_at": "2022-09-04T14:37:14.829139Z",
"updated_at": "2022-09-04T14:37:14.829160Z",
"structure_string": "Ac1 Pr1 Mg2\n1.0\n4.893778 -0.000000 2.825424\n1.631259 4.613898 2.825424\n-0.000000 -0.000000 5.650849\nAc Pr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ac\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.749999 Mg\n",
"nsites": 4,
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"elements": [
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"Mg"
],
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"density": 5.420714707832137,
"density_atomic": 0.03134974664497274,
"volume": 127.59273767979371,
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"formula_full": "Ac1 Pr1 Mg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39993",
"created_at": "2022-09-04T14:37:46.882377Z",
"updated_at": "2022-09-04T14:37:46.882394Z",
"structure_string": "Ac2 Mg1 Sn1\n1.0\n0.000000 4.089601 4.089601\n4.089601 0.000000 4.089601\n4.089601 4.089601 -0.000000\nAc Mg Sn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Sn\n",
"nsites": 4,
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"Mg",
"Sn"
],
"chemical_system": "Ac-Mg-Sn",
"density": 7.247054539205303,
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"volume": 136.7958148352655,
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"formula_full": "Ac2 Mg1 Sn1",
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"spacegroup": 225
},
{
"id": "jvasp-100594",
"created_at": "2022-09-04T14:36:33.622167Z",
"updated_at": "2022-09-04T14:36:33.622193Z",
"structure_string": "Ac2 Mg1 Tl1\n1.0\n5.031917 0.000000 2.905178\n1.677305 4.744138 2.905178\n0.000000 0.000000 5.810358\nAc Mg Tl\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500001 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
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"formula_full": "Ac2 Mg1 Tl1",
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},
{
"id": "jvasp-41725",
"created_at": "2022-09-04T14:37:31.431867Z",
"updated_at": "2022-09-04T14:37:31.431885Z",
"structure_string": "Ac1 Mg1 Tl2\n1.0\n0.000000 3.908913 3.908913\n3.908913 0.000000 3.908913\n3.908913 3.908913 -0.000000\nAc Mg Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Tl\n",
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]
}