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{
"id": "jvasp-68021",
"created_at": "2022-09-04T14:36:09.590329Z",
"updated_at": "2022-09-04T14:36:09.590359Z",
"structure_string": "Be1 Ga1 Mo2\n1.0\n-1.884227 1.884227 3.936018\n1.884227 -1.884227 3.936018\n1.884227 1.884227 -3.936018\nBe Ga Mo\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Ga\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750001 0.500001 Mo\n",
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"elements": [
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"volume": 55.896358107676484,
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"formula_full": "Be1 Ga1 Mo2",
"formula_reduced": "BeGaMo2",
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},
{
"id": "jvasp-65272",
"created_at": "2022-09-04T14:35:58.811330Z",
"updated_at": "2022-09-04T14:35:58.811353Z",
"structure_string": "Be1 Ga4 Mo1\n1.0\n-0.000000 3.558702 3.558702\n3.558702 0.000000 3.558702\n3.558702 3.558702 0.000000\nBe Ga Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123334 0.625554 0.625554 Ga\n0.625554 0.625554 0.625554 Ga\n0.625554 0.123334 0.625554 Ga\n0.625554 0.625554 0.123334 Ga\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Be-Ga-Mo",
"density": 7.07129893051705,
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"volume": 90.13736598623967,
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"formula_full": "Be1 Ga4 Mo1",
"formula_reduced": "BeGa4Mo",
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"spacegroup": 216
},
{
"id": "jvasp-74976",
"created_at": "2022-09-04T14:35:43.665559Z",
"updated_at": "2022-09-04T14:35:43.665586Z",
"structure_string": "Be2 Ga1 Mo1\n1.0\n-1.703578 1.703578 4.120954\n1.703578 -1.703578 4.120954\n1.703578 1.703578 -4.120954\nBe Ga Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Ga\n0.750000 0.250000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Mo"
],
"chemical_system": "Be-Ga-Mo",
"density": 6.3759745565454455,
"density_atomic": 0.08361384351939297,
"volume": 47.83896818560028,
"volume_molar": 7.202325005671168,
"formula_full": "Be2 Ga1 Mo1",
"formula_reduced": "Be2GaMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.29766510625,
"spacegroup": 119
},
{
"id": "jvasp-71421",
"created_at": "2022-09-04T14:35:41.094425Z",
"updated_at": "2022-09-04T14:35:41.094460Z",
"structure_string": "Mn1 Be1 Ga1\n1.0\n1.318720 -2.284090 -0.000000\n1.318720 2.284090 0.000000\n0.000000 -0.000000 6.038188\nMn Be Ga\n1 1 1\ndirect\n0.333333 0.666667 0.683601 Mn\n0.000000 0.000000 0.982359 Be\n0.666667 0.333333 0.334040 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Mn",
"density": 6.1022654871437,
"density_atomic": 0.08247433511387191,
"volume": 36.37495223038676,
"volume_molar": 7.3018360823221675,
"formula_full": "Mn1 Be1 Ga1",
"formula_reduced": "MnBeGa",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7512318887931038,
"spacegroup": 156
},
{
"id": "jvasp-67238",
"created_at": "2022-09-04T14:36:16.720844Z",
"updated_at": "2022-09-04T14:36:16.720860Z",
"structure_string": "Mn1 Be1 Ga1\n1.0\n-1.400241 1.400241 4.367783\n1.400241 -1.400241 4.367783\n1.400241 1.400241 -4.367783\nMn Be Ga\n1 1 1\ndirect\n0.650225 0.650225 0.000000 Mn\n0.012792 0.012792 0.000000 Be\n0.336983 0.336983 0.000000 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Mn",
"density": 6.479879131437184,
"density_atomic": 0.08757792070985171,
"volume": 34.25520925461442,
"volume_molar": 6.876323063151424,
"formula_full": "Mn1 Be1 Ga1",
"formula_reduced": "MnBeGa",
"formula_anonymous": "ABC",
"energy_above_hull": 1.690755222126437,
"spacegroup": 107
},
{
"id": "jvasp-69990",
"created_at": "2022-09-04T14:35:57.693778Z",
"updated_at": "2022-09-04T14:35:57.693796Z",
"structure_string": "Mn1 Be2 Ga1\n1.0\n2.732588 0.000000 0.000000\n0.000000 2.732588 -0.000000\n0.000000 -0.000000 5.782036\nMn Be Ga\n1 2 1\ndirect\n0.500000 0.500000 0.787007 Mn\n0.000000 0.000000 0.022888 Be\n0.500000 0.500000 0.203745 Be\n0.000000 0.000000 0.486361 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Be",
"Ga"
],
"chemical_system": "Be-Ga-Mn",
"density": 5.487816194315576,
"density_atomic": 0.09264689874098264,
"volume": 43.1746777750542,
"volume_molar": 6.5000996707255005,
"formula_full": "Mn1 Be2 Ga1",
"formula_reduced": "MnBe2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8891479415948271,
"spacegroup": 99
},
{
"id": "jvasp-68273",
"created_at": "2022-09-04T14:35:57.702147Z",
"updated_at": "2022-09-04T14:35:57.702167Z",
"structure_string": "Mn2 Be1 Ga1\n1.0\n-1.760325 1.760325 3.664561\n1.760325 -1.760325 3.664561\n1.760325 1.760325 -3.664561\nMn Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750001 0.500001 Mn\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Mn",
"density": 6.895235142027353,
"density_atomic": 0.0880627677712436,
"volume": 45.42214719381302,
"volume_molar": 6.838464100564526,
"formula_full": "Mn2 Be1 Ga1",
"formula_reduced": "Mn2BeGa",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-70519",
"created_at": "2022-09-04T14:35:50.157260Z",
"updated_at": "2022-09-04T14:35:50.157291Z",
"structure_string": "Mn1 Be2 Ga1\n1.0\n-1.640578 1.640578 3.787696\n1.640578 -1.640578 3.787696\n1.640578 1.640578 -3.787696\nMn Be Ga\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Be",
"Ga"
],
"chemical_system": "Be-Ga-Mn",
"density": 5.810316480227393,
"density_atomic": 0.09809144175679267,
"volume": 40.77827717037309,
"volume_molar": 6.13931312675703,
"formula_full": "Mn1 Be2 Ga1",
"formula_reduced": "MnBe2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8500204415948271,
"spacegroup": 119
},
{
"id": "jvasp-73967",
"created_at": "2022-09-04T14:36:09.137541Z",
"updated_at": "2022-09-04T14:36:09.137562Z",
"structure_string": "Mn2 Be1 Ga1\n1.0\n2.773286 0.000000 0.000000\n0.000000 2.773286 -0.000000\n0.000000 -0.000000 5.668071\nMn Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.030900 Mn\n0.500001 0.500001 0.261733 Mn\n0.000000 0.000000 0.467882 Be\n0.500001 0.500001 0.739486 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Be",
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],
"chemical_system": "Be-Ga-Mn",
"density": 7.184427080270414,
"density_atomic": 0.0917561940249169,
"volume": 43.593787237009614,
"volume_molar": 6.563198075069084,
"formula_full": "Mn2 Be1 Ga1",
"formula_reduced": "Mn2BeGa",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-64894",
"created_at": "2022-09-04T14:35:44.770732Z",
"updated_at": "2022-09-04T14:35:44.770761Z",
"structure_string": "Mg1 Be1 Ga4\n1.0\n0.000000 3.801651 3.801651\n3.801651 -0.000000 3.801651\n3.801651 3.801651 -0.000000\nMg Be Ga\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Be\n0.374614 0.374614 0.374614 Ga\n0.374614 0.876159 0.374614 Ga\n0.374614 0.374614 0.876159 Ga\n0.876159 0.374614 0.374614 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Be",
"Ga"
],
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"density": 4.717892464440836,
"density_atomic": 0.05460149315126393,
"volume": 109.8871047972634,
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"formula_full": "Mg1 Be1 Ga4",
"formula_reduced": "MgBeGa4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-67022",
"created_at": "2022-09-04T14:35:50.515021Z",
"updated_at": "2022-09-04T14:35:50.515054Z",
"structure_string": "Mg1 Be1 Ga1\n1.0\n1.504628 -2.606094 -0.000000\n1.504628 2.606094 0.000000\n0.000000 0.000000 6.167574\nMg Be Ga\n1 1 1\ndirect\n0.333334 0.666667 0.682395 Mg\n0.000000 0.000000 0.014815 Be\n0.666667 0.333334 0.302789 Ga\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.5374648577400727,
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"volume": 48.36860704529617,
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"formula_full": "Mg1 Be1 Ga1",
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"spacegroup": 156
},
{
"id": "jvasp-70886",
"created_at": "2022-09-04T14:35:48.622903Z",
"updated_at": "2022-09-04T14:35:48.622924Z",
"structure_string": "Li1 Be1 Ga4\n1.0\n-0.000000 3.765368 3.765368\n3.765368 -0.000000 3.765368\n3.765368 3.765368 0.000000\nLi Be Ga\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.124889 0.625038 0.625038 Ga\n0.625038 0.625038 0.625038 Ga\n0.625038 0.124889 0.625038 Ga\n0.625038 0.625038 0.124889 Ga\n",
"nsites": 6,
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"elements": [
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"Be",
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],
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"density": 4.58554389387313,
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"volume": 106.77074620612784,
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"formula_full": "Li1 Be1 Ga4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
}
]
}