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{
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{
"id": "jvasp-64897",
"created_at": "2022-09-04T14:35:48.074653Z",
"updated_at": "2022-09-04T14:35:48.074670Z",
"structure_string": "K1 Be1 Hg4\n1.0\n0.000000 4.388168 4.388168\n4.388168 -0.000000 4.388168\n4.388168 4.388168 0.000000\nK Be Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Be\n0.625432 0.123703 0.625432 Hg\n0.123703 0.625432 0.625432 Hg\n0.625432 0.625432 0.625432 Hg\n0.625432 0.625432 0.123703 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Be",
"Hg"
],
"chemical_system": "Be-Hg-K",
"density": 8.3565806381549,
"density_atomic": 0.03550352842885652,
"volume": 168.997287467443,
"volume_molar": 16.962090886452096,
"formula_full": "K1 Be1 Hg4",
"formula_reduced": "KBeHg4",
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"spacegroup": 216
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{
"id": "jvasp-70135",
"created_at": "2022-09-04T14:35:47.323228Z",
"updated_at": "2022-09-04T14:35:47.323253Z",
"structure_string": "K1 Be2 Hg1\n1.0\n-2.361657 2.361657 3.347096\n2.361657 -2.361657 3.347096\n2.361657 2.361657 -3.347096\nK Be Hg\n1 2 1\ndirect\n0.750001 0.250000 0.500001 K\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.250000 0.750001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Hg-K",
"density": 5.730902940030891,
"density_atomic": 0.053567106347075864,
"volume": 74.67269137300251,
"volume_molar": 11.242236459406469,
"formula_full": "K1 Be2 Hg1",
"formula_reduced": "KBe2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.86381791875,
"spacegroup": 225
},
{
"id": "jvasp-64930",
"created_at": "2022-09-04T14:36:19.708426Z",
"updated_at": "2022-09-04T14:36:19.708451Z",
"structure_string": "Li1 Be1 Hg4\n1.0\n0.000000 4.192005 4.192005\n4.192005 -0.000000 4.192005\n4.192005 4.192005 -0.000000\nLi Be Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.624943 0.125174 0.624943 Hg\n0.125174 0.624943 0.624943 Hg\n0.624943 0.624943 0.624943 Hg\n0.624943 0.624943 0.125174 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Li",
"density": 9.223022604364985,
"density_atomic": 0.04072451105303738,
"volume": 147.3314189625488,
"volume_molar": 14.787509056050036,
"formula_full": "Li1 Be1 Hg4",
"formula_reduced": "LiBeHg4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-67813",
"created_at": "2022-09-04T14:36:11.554511Z",
"updated_at": "2022-09-04T14:36:11.554526Z",
"structure_string": "Mg2 Be1 Hg1\n1.0\n3.541777 -0.000000 0.000000\n0.000000 3.541777 0.000000\n-0.000000 -0.000000 5.823986\nMg Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.987355 Mg\n0.500000 0.500000 0.276942 Mg\n0.000000 0.000000 0.492391 Be\n0.500000 0.500000 0.743313 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Mg",
"density": 5.868986034904386,
"density_atomic": 0.05475165386717899,
"volume": 73.05715384787325,
"volume_molar": 10.999011599921708,
"formula_full": "Mg2 Be1 Hg1",
"formula_reduced": "Mg2BeHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-68525",
"created_at": "2022-09-04T14:36:05.450643Z",
"updated_at": "2022-09-04T14:36:05.450660Z",
"structure_string": "Mn1 Be2 Hg1\n1.0\n2.948967 0.000000 0.000000\n0.000000 2.948967 0.000000\n0.000000 0.000000 5.627852\nMn Be Hg\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Mn\n0.000000 0.000000 0.681406 Be\n0.000000 0.000000 0.318594 Be\n0.500001 0.500001 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Mn",
"density": 9.28126446554834,
"density_atomic": 0.08172924708059687,
"volume": 48.94208796583457,
"volume_molar": 7.368403570463946,
"formula_full": "Mn1 Be2 Hg1",
"formula_reduced": "MnBe2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6305235103448277,
"spacegroup": 123
},
{
"id": "jvasp-67769",
"created_at": "2022-09-04T14:35:55.433053Z",
"updated_at": "2022-09-04T14:35:55.433086Z",
"structure_string": "Mn2 Be1 Hg1\n1.0\n2.817097 0.000000 0.000000\n0.000000 2.817097 0.000000\n0.000000 0.000000 6.372021\nMn Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.064218 Mn\n0.500000 0.500000 0.254712 Mn\n0.000000 0.000000 0.446807 Be\n0.500000 0.500000 0.734264 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Mn",
"density": 10.490824541175094,
"density_atomic": 0.07910049306545834,
"volume": 50.5685849099558,
"volume_molar": 7.6132784090441445,
"formula_full": "Mn2 Be1 Hg1",
"formula_reduced": "Mn2BeHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2313887956896554,
"spacegroup": 99
},
{
"id": "jvasp-74899",
"created_at": "2022-09-04T14:35:57.265941Z",
"updated_at": "2022-09-04T14:35:57.265964Z",
"structure_string": "Mn1 Be2 Hg1\n1.0\n-1.806420 1.806420 3.933832\n1.806420 -1.806420 3.933832\n1.806420 1.806420 -3.933832\nMn Be Hg\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Mn",
"density": 8.846599675488932,
"density_atomic": 0.077901662363464,
"volume": 51.34678617430898,
"volume_molar": 7.730439347882765,
"formula_full": "Mn1 Be2 Hg1",
"formula_reduced": "MnBe2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6755260103448273,
"spacegroup": 119
},
{
"id": "jvasp-74602",
"created_at": "2022-09-04T14:36:21.178279Z",
"updated_at": "2022-09-04T14:36:21.178303Z",
"structure_string": "Mn1 Be2 Hg1\n1.0\n2.822931 0.000000 0.000000\n0.000000 2.822931 0.000000\n0.000000 0.000000 6.329183\nMn Be Hg\n1 2 1\ndirect\n0.500000 0.500000 0.813089 Mn\n0.000000 0.000000 0.019665 Be\n0.500000 0.500000 0.189303 Be\n0.000000 0.000000 0.477942 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Mn",
"density": 9.00619741294817,
"density_atomic": 0.07930705308007686,
"volume": 50.4368759732022,
"volume_molar": 7.593449165132141,
"formula_full": "Mn1 Be2 Hg1",
"formula_reduced": "MnBe2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6546235103448272,
"spacegroup": 99
},
{
"id": "jvasp-70900",
"created_at": "2022-09-04T14:36:16.378393Z",
"updated_at": "2022-09-04T14:36:16.378416Z",
"structure_string": "Mn2 Be1 Hg1\n1.0\n2.817113 0.000000 0.000000\n-0.000000 2.817113 0.000000\n-0.000000 0.000000 6.371735\nMn Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.064223 Mn\n0.499999 0.499999 0.254712 Mn\n0.000000 0.000000 0.446809 Be\n0.499999 0.499999 0.734254 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Mn",
"density": 10.491176257705016,
"density_atomic": 0.07910314499723234,
"volume": 50.56688959888955,
"volume_molar": 7.613023173997321,
"formula_full": "Mn2 Be1 Hg1",
"formula_reduced": "Mn2BeHg",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-71486",
"created_at": "2022-09-04T14:36:08.690430Z",
"updated_at": "2022-09-04T14:36:08.690440Z",
"structure_string": "Be1 Hg1 Mo1\n1.0\n1.433862 -2.483523 0.000000\n1.433862 2.483523 -0.000000\n0.000000 -0.000000 6.662014\nBe Hg Mo\n1 1 1\ndirect\n0.000000 0.000000 0.012384 Be\n0.666666 0.333332 0.684142 Hg\n0.333332 0.666666 0.303473 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Mo"
],
"chemical_system": "Be-Hg-Mo",
"density": 10.693237060843554,
"density_atomic": 0.06322810653623843,
"volume": 47.447253513444785,
"volume_molar": 9.524467977778968,
"formula_full": "Be1 Hg1 Mo1",
"formula_reduced": "BeHgMo",
"formula_anonymous": "ABC",
"energy_above_hull": 2.043008866666666,
"spacegroup": 156
},
{
"id": "jvasp-71111",
"created_at": "2022-09-04T14:35:59.880692Z",
"updated_at": "2022-09-04T14:35:59.880718Z",
"structure_string": "Be2 Hg1 Mo1\n1.0\n3.978950 0.000000 0.000000\n0.000000 3.978950 -0.000000\n0.000000 -0.000000 3.346977\nBe Hg Mo\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Mo"
],
"chemical_system": "Be-Hg-Mo",
"density": 9.857235234426835,
"density_atomic": 0.07548667562808206,
"volume": 52.989484127076146,
"volume_molar": 7.977753305325958,
"formula_full": "Be2 Hg1 Mo1",
"formula_reduced": "Be2HgMo",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-72450",
"created_at": "2022-09-04T14:35:55.366408Z",
"updated_at": "2022-09-04T14:35:55.366433Z",
"structure_string": "Be1 Hg2 Mo1\n1.0\n-1.967468 1.967468 4.462604\n1.967468 -1.967468 4.462604\n1.967468 1.967468 -4.462604\nBe Hg Mo\n1 2 1\ndirect\n0.750000 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.250000 0.750000 0.500001 Mo\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Hg-Mo",
"density": 12.16324215938049,
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"volume": 69.09771671579611,
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"formula_full": "Be1 Hg2 Mo1",
"formula_reduced": "BeHg2Mo",
"formula_anonymous": "ABC2",
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"spacegroup": 139
}
]
}