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{
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"results": [
{
"id": "jvasp-110210",
"created_at": "2022-09-04T14:38:18.782403Z",
"updated_at": "2022-09-04T14:38:18.782431Z",
"structure_string": "Mn2 Sb2 Pt1 Au1\n1.0\n4.295295 0.003718 6.509067\n1.956853 3.823650 6.509067\n0.006073 0.003718 7.798556\nMn Sb Pt Au\n2 2 1 1\ndirect\n0.747133 0.747135 0.747135 Mn\n0.252361 0.252362 0.252362 Mn\n0.997114 0.997116 0.997116 Sb\n0.503519 0.503520 0.503520 Sb\n0.626038 0.626039 0.626039 Pt\n0.123830 0.123830 0.123830 Au\n",
"nsites": 6,
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"elements": [
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"Sb",
"Pt",
"Au"
],
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"density": 9.684507958694468,
"density_atomic": 0.04694216770680006,
"volume": 127.81684981988673,
"volume_molar": 12.828851018585642,
"formula_full": "Mn2 Sb2 Pt1 Au1",
"formula_reduced": "Mn2Sb2PtAu",
"formula_anonymous": "ABC2D2",
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"spacegroup": 160
},
{
"id": "jvasp-99821",
"created_at": "2022-09-04T14:36:32.250803Z",
"updated_at": "2022-09-04T14:36:32.250821Z",
"structure_string": "Mn1 Pd2 Au1\n1.0\n3.880456 -0.000000 2.240382\n1.293486 3.658529 2.240382\n-0.000000 0.000000 4.480765\nMn Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250001 0.250000 0.249999 Pd\n0.750002 0.750000 0.749998 Pd\n0.500001 0.500000 0.499998 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Pd",
"Au"
],
"chemical_system": "Au-Mn-Pd",
"density": 12.131710278105935,
"density_atomic": 0.06288087244366883,
"volume": 63.61234894734258,
"volume_molar": 9.57706298587837,
"formula_full": "Mn1 Pd2 Au1",
"formula_reduced": "MnPd2Au",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80148",
"created_at": "2022-09-04T14:37:18.046871Z",
"updated_at": "2022-09-04T14:37:18.046900Z",
"structure_string": "Mn1 Pd2 Au1\n1.0\n-10.660386 2.608899 -1.894926\n-7.307337 0.730349 1.003934\n-6.143925 4.021165 -1.011318\nMn Pd Au\n1 2 1\ndirect\n0.000000 -0.000000 -0.000000 Mn\n0.752402 -0.001483 -0.001482 Pd\n0.247600 0.001482 0.001481 Pd\n0.500001 -0.000001 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Pd",
"Au"
],
"chemical_system": "Au-Mn-Pd",
"density": 12.305194375279152,
"density_atomic": 0.06378007223786779,
"volume": 62.71551379060845,
"volume_molar": 9.442041297069132,
"formula_full": "Mn1 Pd2 Au1",
"formula_reduced": "MnPd2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9531165528448275,
"spacegroup": 139
},
{
"id": "jvasp-36857",
"created_at": "2022-09-04T14:35:48.103570Z",
"updated_at": "2022-09-04T14:35:48.103602Z",
"structure_string": "Mn1 Au1 O2\n1.0\n1.250178 2.291532 1.373064\n-0.001364 -0.002307 -3.162775\n-5.739108 2.346400 1.309518\nMn Au O\n1 1 2\ndirect\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n0.099610 0.199222 0.335675 O\n0.900388 0.800779 0.664324 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Au",
"O"
],
"chemical_system": "Au-Mn-O",
"density": 9.271002273643267,
"density_atomic": 0.0786623590196825,
"volume": 50.85024209608486,
"volume_molar": 7.655682889567512,
"formula_full": "Mn1 Au1 O2",
"formula_reduced": "MnAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.078325452844827,
"spacegroup": 12
},
{
"id": "jvasp-36853",
"created_at": "2022-09-04T14:35:48.278190Z",
"updated_at": "2022-09-04T14:35:48.278217Z",
"structure_string": "Mn1 Au1 O2\n1.0\n-2.988727 0.000000 0.748729\n-1.588148 2.640240 0.000000\n-2.999574 -0.006525 -5.634038\nMn Au O\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n0.112701 0.112704 0.661893 O\n0.887298 0.887298 0.338107 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Au",
"O"
],
"chemical_system": "Au-Mn-O",
"density": 9.354688798506304,
"density_atomic": 0.07937242026975906,
"volume": 50.39533866304443,
"volume_molar": 7.587195576918094,
"formula_full": "Mn1 Au1 O2",
"formula_reduced": "MnAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0802754528448277,
"spacegroup": 166
},
{
"id": "jvasp-107255",
"created_at": "2022-09-04T14:36:58.263925Z",
"updated_at": "2022-09-04T14:36:58.263947Z",
"structure_string": "Mn3 Au1 N1\n1.0\n3.814888 -0.000000 0.000000\n0.000000 3.814888 0.000000\n0.000000 -0.000000 3.814888\nMn Au N\n3 1 1\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Au",
"N"
],
"chemical_system": "Au-Mn-N",
"density": 11.239472779589029,
"density_atomic": 0.09005848313407586,
"volume": 55.519478298964664,
"volume_molar": 6.686922264762612,
"formula_full": "Mn3 Au1 N1",
"formula_reduced": "Mn3AuN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.880086508827585,
"spacegroup": 221
},
{
"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": [
"Mn",
"Au"
],
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"density": 16.24716561270117,
"density_atomic": 0.05804592825796063,
"volume": 86.13868621033349,
"volume_molar": 10.374785864801984,
"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.258427504275862,
"spacegroup": 87
},
{
"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,
"nelements": 2,
"elements": [
"Mn",
"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,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
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"density": 16.247862984229144,
"density_atomic": 0.058048419743469366,
"volume": 86.13498906768287,
"volume_molar": 10.374340570532949,
"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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],
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"density": 15.588883146140164,
"density_atomic": 0.05814367360159528,
"volume": 137.5902055108624,
"volume_molar": 10.357344809796766,
"formula_full": "Mn2 Au6",
"formula_reduced": "MnAu3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"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,
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],
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"volume": 87.69627066873817,
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"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
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"spacegroup": 166
},
{
"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",
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"volume": 118.86004019680084,
"volume_molar": 10.225598468634184,
"formula_full": "Mn2 Au5",
"formula_reduced": "Mn2Au5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.7261760475369456,
"spacegroup": 12
}
]
}