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{
"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",
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"formula_full": "Mn1 Be1 Ga1",
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{
"id": "jvasp-73967",
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"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",
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},
{
"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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],
"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",
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"spacegroup": 119
},
{
"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,
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"elements": [
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"Be",
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],
"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": [
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"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",
"energy_above_hull": 2.483725726939655,
"spacegroup": 119
},
{
"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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"Ga",
"Mo"
],
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"density": 7.07129893051705,
"density_atomic": 0.06656506915141006,
"volume": 90.13736598623967,
"volume_molar": 9.046998428412858,
"formula_full": "Be1 Ga4 Mo1",
"formula_reduced": "BeGa4Mo",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"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",
"nsites": 4,
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"elements": [
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],
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"density": 8.039290875810309,
"density_atomic": 0.07156101283547958,
"volume": 55.896358107676484,
"volume_molar": 8.415393412394875,
"formula_full": "Be1 Ga1 Mo2",
"formula_reduced": "BeGaMo2",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-71780",
"created_at": "2022-09-04T14:36:10.237202Z",
"updated_at": "2022-09-04T14:36:10.237228Z",
"structure_string": "Be1 Ga2 Mo1\n1.0\n-1.801691 1.801691 4.153369\n1.801691 -1.801691 4.153369\n1.801691 1.801691 -4.153369\nBe Ga Mo\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Mo\n",
"nsites": 4,
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],
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"density": 7.525336801205642,
"density_atomic": 0.07417180787200728,
"volume": 53.92884594241656,
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"formula_full": "Be1 Ga2 Mo1",
"formula_reduced": "BeGa2Mo",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"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,
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"elements": [
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],
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"density": 6.3759745565454455,
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"volume": 47.83896818560028,
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"formula_full": "Be2 Ga1 Mo1",
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"spacegroup": 119
},
{
"id": "jvasp-67071",
"created_at": "2022-09-04T14:36:09.099384Z",
"updated_at": "2022-09-04T14:36:09.099413Z",
"structure_string": "Na1 Be1 Ga1\n1.0\n1.486626 -2.574913 0.000000\n1.486626 2.574913 -0.000000\n0.000000 0.000000 6.919382\nNa Be Ga\n1 1 1\ndirect\n0.333334 0.666668 0.670410 Na\n0.000000 0.000000 0.032506 Be\n0.666668 0.333334 0.297083 Ga\n",
"nsites": 3,
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"elements": [
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],
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"volume": 52.973856046655584,
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"formula_full": "Na1 Be1 Ga1",
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},
{
"id": "jvasp-69852",
"created_at": "2022-09-04T14:36:00.758003Z",
"updated_at": "2022-09-04T14:36:00.758020Z",
"structure_string": "Na1 Be2 Ga1\n1.0\n3.132523 0.000000 -0.000000\n0.000000 3.132523 0.000000\n0.000000 0.000000 6.498687\nNa Be Ga\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.828435 Be\n0.000000 0.000000 0.171565 Be\n0.500000 0.500000 0.000000 Ga\n",
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"formula_full": "Na1 Be2 Ga1",
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},
{
"id": "jvasp-67650",
"created_at": "2022-09-04T14:36:12.230219Z",
"updated_at": "2022-09-04T14:36:12.230231Z",
"structure_string": "Na1 Be1 Ga1\n1.0\n-1.585267 1.585267 5.401437\n1.585267 -1.585267 5.401437\n1.585267 1.585267 -5.401437\nNa Be Ga\n1 1 1\ndirect\n0.665268 0.665268 0.000000 Na\n0.960628 0.960628 0.000000 Be\n0.374105 0.374105 0.000000 Ga\n",
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"formula_full": "Na1 Be1 Ga1",
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}