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{
"id": "jvasp-16804",
"created_at": "2022-09-04T14:38:32.559435Z",
"updated_at": "2022-09-04T14:38:32.559446Z",
"structure_string": "Mn1 Au1\n1.0\n3.199196 0.000000 0.000000\n0.000000 3.199196 -0.000000\n-0.000000 0.000000 3.214297\nMn Au\n1 1\ndirect\n0.500001 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n",
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"elements": [
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"formula_full": "Mn1 Au1",
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},
{
"id": "jvasp-79142",
"created_at": "2022-09-04T14:37:18.380648Z",
"updated_at": "2022-09-04T14:37:18.380677Z",
"structure_string": "Mn2 Au1\n1.0\n2.716508 -0.000000 -0.000000\n0.000000 2.716508 0.000000\n-1.358254 -1.358254 5.411083\nMn Au\n2 1\ndirect\n0.692629 0.692629 0.385255 Mn\n0.307373 0.307373 0.614744 Mn\n0.000000 0.000000 0.000000 Au\n",
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"formula_full": "Mn2 Au1",
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"spacegroup": 139
},
{
"id": "jvasp-61617",
"created_at": "2022-09-04T14:36:00.795560Z",
"updated_at": "2022-09-04T14:36:00.795587Z",
"structure_string": "Mn9 Au3\n1.0\n3.785102 -0.000000 0.000000\n0.000000 3.785102 0.000000\n0.000000 -0.000000 10.578475\nMn Au\n9 3\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.300987 Mn\n0.500000 0.500000 0.699013 Mn\n0.000000 0.000000 0.301606 Mn\n0.000000 0.000000 0.698394 Mn\n0.500000 0.000000 0.824140 Mn\n0.000000 0.500000 0.824140 Mn\n0.500000 0.000000 0.175860 Mn\n0.000000 0.500000 0.175860 Mn\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 11.89152390304729,
"density_atomic": 0.07917772288906054,
"volume": 151.55778118061994,
"volume_molar": 7.605852429524769,
"formula_full": "Mn9 Au3",
"formula_reduced": "Mn3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3448273235344823,
"spacegroup": 123
},
{
"id": "jvasp-18620",
"created_at": "2022-09-04T14:35:53.945816Z",
"updated_at": "2022-09-04T14:35:53.945846Z",
"structure_string": "Mn2 Au5\n1.0\n3.884309 0.000000 -0.000000\n-1.942155 4.590713 -0.582905\n-0.000000 0.054299 6.658747\nMn Au\n2 5\ndirect\n0.576135 0.152268 0.718546 Mn\n0.423864 0.847731 0.281454 Mn\n0.863286 0.726574 0.566659 Au\n0.714138 0.428277 0.145935 Au\n0.285861 0.571723 0.854065 Au\n0.136713 0.273426 0.433341 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 15.293676075775942,
"density_atomic": 0.058892795159835455,
"volume": 118.86004019680084,
"volume_molar": 10.225598468634184,
"formula_full": "Mn2 Au5",
"formula_reduced": "Mn2Au5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.7261760475369456,
"spacegroup": 12
},
{
"id": "jvasp-102710",
"created_at": "2022-09-04T14:38:45.077095Z",
"updated_at": "2022-09-04T14:38:45.077112Z",
"structure_string": "Mn1 Au4\n1.0\n2.955100 -0.012362 10.980082\n1.441324 2.579797 10.980082\n-0.021168 -0.012362 11.370768\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.605512 0.605515 0.605514 Au\n0.201579 0.201580 0.201580 Au\n0.798418 0.798422 0.798421 Au\n0.394485 0.394487 0.394487 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
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"density": 15.958597667240161,
"density_atomic": 0.057014967248571864,
"volume": 87.69627066873817,
"volume_molar": 10.562385721884011,
"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.2751555042758618,
"spacegroup": 166
},
{
"id": "jvasp-92490",
"created_at": "2022-09-04T14:36:02.790229Z",
"updated_at": "2022-09-04T14:36:02.790258Z",
"structure_string": "Mn1 Au4\n1.0\n0.000000 -0.000000 4.004465\n-3.279532 3.279532 2.002232\n-3.279532 -3.279532 2.002232\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.601457 0.604117 0.192969 Au\n0.398544 0.395882 0.807030 Au\n0.205574 0.192969 0.395882 Au\n0.794426 0.807030 0.604117 Au\n",
"nsites": 5,
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"elements": [
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"Au"
],
"chemical_system": "Au-Mn",
"density": 16.24716561270117,
"density_atomic": 0.05804592825796063,
"volume": 86.13868621033349,
"volume_molar": 10.374785864801984,
"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
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"spacegroup": 87
},
{
"id": "jvasp-18619",
"created_at": "2022-09-04T14:36:09.331528Z",
"updated_at": "2022-09-04T14:36:09.331555Z",
"structure_string": "Mn2 Au1\n1.0\n2.551623 0.000000 -0.926587\n-0.336477 2.529341 -0.926587\n0.616067 0.703450 5.673131\nMn Au\n2 1\ndirect\n0.692611 0.692612 0.385222 Mn\n0.307388 0.307388 0.614776 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 12.757147548600052,
"density_atomic": 0.07511211626572528,
"volume": 39.94029391192833,
"volume_molar": 8.01753573111345,
"formula_full": "Mn2 Au1",
"formula_reduced": "Mn2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7102440175862066,
"spacegroup": 139
},
{
"id": "jvasp-16449",
"created_at": "2022-09-04T14:37:55.177427Z",
"updated_at": "2022-09-04T14:37:55.177450Z",
"structure_string": "Mn1 Au2\n1.0\n3.193093 -0.000000 -1.163835\n-0.424200 3.164790 -1.163835\n0.008043 0.009194 4.984262\nMn Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.660297 0.660297 0.320595 Au\n0.339701 0.339702 0.679405 Au\n",
"nsites": 3,
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"elements": [
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"Au"
],
"chemical_system": "Au-Mn",
"density": 14.7783081863531,
"density_atomic": 0.05948057404498218,
"volume": 50.436634954653435,
"volume_molar": 10.124550505255307,
"formula_full": "Mn1 Au2",
"formula_reduced": "MnAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.488404127126437,
"spacegroup": 139
},
{
"id": "jvasp-16774",
"created_at": "2022-09-04T14:37:56.417867Z",
"updated_at": "2022-09-04T14:37:56.417892Z",
"structure_string": "Mn1 Au4\n1.0\n3.661736 -0.000000 1.617773\n1.830868 4.638600 0.808886\n-0.043688 -0.000000 5.051839\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.205591 0.192976 0.395843 Au\n0.601434 0.604157 0.192976 Au\n0.398568 0.395843 0.807024 Au\n0.794410 0.807024 0.604157 Au\n",
"nsites": 5,
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"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 16.247862984229144,
"density_atomic": 0.058048419743469366,
"volume": 86.13498906768287,
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"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.2584215042758615,
"spacegroup": 87
},
{
"id": "jvasp-100739",
"created_at": "2022-09-04T14:36:35.067340Z",
"updated_at": "2022-09-04T14:36:35.067368Z",
"structure_string": "Mn2 Au6\n1.0\n5.776618 0.000000 0.000000\n-2.888309 5.002698 0.000000\n-0.000000 -0.000000 4.761125\nMn Au\n2 6\ndirect\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.169042 0.338083 0.250000 Au\n0.661917 0.830959 0.250000 Au\n0.169042 0.830959 0.250000 Au\n0.830959 0.661917 0.749999 Au\n0.338083 0.169042 0.749999 Au\n0.830959 0.169042 0.749999 Au\n",
"nsites": 8,
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"elements": [
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"density": 15.588883146140164,
"density_atomic": 0.05814367360159528,
"volume": 137.5902055108624,
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"formula_full": "Mn2 Au6",
"formula_reduced": "MnAu3",
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"spacegroup": 194
},
{
"id": "jvasp-116494",
"created_at": "2022-09-04T14:38:43.381205Z",
"updated_at": "2022-09-04T14:38:43.381225Z",
"structure_string": "Mn4 B16\n1.0\n5.344391 0.000000 0.000000\n-0.000000 4.955090 2.305210\n-0.000000 0.014579 5.493928\nMn B\n4 16\ndirect\n0.999776 0.729482 0.276348 Mn\n0.499776 0.270518 0.223653 Mn\n0.000224 0.270518 0.723653 Mn\n0.500224 0.729482 0.776348 Mn\n0.631287 0.162227 0.658254 B\n0.131287 0.837774 0.841746 B\n0.368433 0.329862 0.826323 B\n0.868433 0.670139 0.673678 B\n0.631567 0.670139 0.173678 B\n0.131567 0.329861 0.326323 B\n0.314485 0.636042 0.138004 B\n0.685514 0.363958 0.861997 B\n0.868713 0.162226 0.158254 B\n0.185514 0.636043 0.638004 B\n0.320290 0.130759 0.627501 B\n0.820290 0.869241 0.872499 B\n0.679710 0.869241 0.372499 B\n0.179710 0.130759 0.127501 B\n0.814485 0.363958 0.361996 B\n0.368713 0.837774 0.341746 B\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "B-Mn",
"density": 4.487917979552076,
"density_atomic": 0.13763653935674955,
"volume": 145.31025041366837,
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"formula_full": "Mn4 B16",
"formula_reduced": "MnB4",
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"spacegroup": 14
},
{
"id": "jvasp-19590",
"created_at": "2022-09-04T14:38:01.446864Z",
"updated_at": "2022-09-04T14:38:01.446892Z",
"structure_string": "Mn1 B4\n1.0\n2.728529 0.005992 1.131230\n1.552735 3.519585 0.092512\n0.003448 0.014736 3.847960\nMn B\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.797266 0.862027 0.543439 B\n0.202736 0.456561 0.137974 B\n0.202735 0.137975 0.456560 B\n0.797266 0.543441 0.862025 B\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.415219514294651,
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"volume": 36.92571135666959,
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"formula_full": "Mn1 B4",
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"spacegroup": 71
}
]
}