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{
"id": "jvasp-80527",
"created_at": "2022-09-04T14:37:18.452323Z",
"updated_at": "2022-09-04T14:37:18.452345Z",
"structure_string": "Mg1 Ga3\n1.0\n4.093003 0.000000 0.000000\n0.000000 4.262517 0.000000\n0.000000 0.000000 4.257221\nMg Ga\n1 3\ndirect\n0.000000 0.500000 0.416805 Mg\n0.000000 0.000000 0.916620 Ga\n0.500000 0.000000 0.416532 Ga\n0.500000 0.500000 0.916708 Ga\n",
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{
"id": "jvasp-78556",
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"structure_string": "Mg1 Ga1\n1.0\n3.376069 0.000000 0.000000\n0.000000 3.376069 -0.000000\n-0.000000 -0.000000 3.376069\nMg Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "jvasp-80488",
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"structure_string": "Mg2 Ga2\n1.0\n3.156123 0.000000 0.000000\n0.000000 5.255211 0.000000\n0.000000 0.000000 4.791099\nMg Ga\n2 2\ndirect\n0.499999 0.000000 0.605420 Mg\n0.000000 0.500000 0.394580 Mg\n0.000000 0.000000 0.098437 Ga\n0.499999 0.500000 0.901564 Ga\n",
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"volume": 79.4656102657502,
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"formula_full": "Mg2 Ga2",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
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"spacegroup": 59
},
{
"id": "jvasp-79222",
"created_at": "2022-09-04T14:36:47.903028Z",
"updated_at": "2022-09-04T14:36:47.903047Z",
"structure_string": "Mg3 Ga1\n1.0\n3.206211 -0.000000 0.000000\n-1.603106 2.776660 -0.000000\n-0.000000 0.000000 9.607387\nMg Ga\n3 1\ndirect\n0.666666 0.333333 0.000000 Mg\n0.000000 0.000000 0.732645 Mg\n0.000000 0.000000 0.267355 Mg\n0.666666 0.333333 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 2.7692632948864015,
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"volume": 85.53031841322507,
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"formula_full": "Mg3 Ga1",
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"spacegroup": 187
},
{
"id": "jvasp-18704",
"created_at": "2022-09-04T14:35:48.862186Z",
"updated_at": "2022-09-04T14:35:48.862205Z",
"structure_string": "Mg2 Ga4\n1.0\n2.163163 -3.746709 0.000000\n2.163163 3.746709 -0.000000\n-0.000000 -0.000000 7.047691\nMg Ga\n2 4\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.666666 0.333332 0.446283 Ga\n0.333332 0.666666 0.946283 Ga\n0.666666 0.333332 0.053717 Ga\n0.333332 0.666666 0.553717 Ga\n",
"nsites": 6,
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"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.760438888172681,
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"volume": 114.23943845614306,
"volume_molar": 11.46609964543751,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-90594",
"created_at": "2022-09-04T14:35:51.302593Z",
"updated_at": "2022-09-04T14:35:51.302624Z",
"structure_string": "Mg2 Ga6\n1.0\n5.905688 0.000000 0.000000\n-2.952843 5.114475 -0.000000\n0.000000 0.000000 5.022177\nMg Ga\n2 6\ndirect\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666666 0.250000 Mg\n0.164030 0.835969 0.750000 Ga\n0.671941 0.835969 0.750000 Ga\n0.164030 0.328059 0.750000 Ga\n0.835970 0.164030 0.250000 Ga\n0.835970 0.671940 0.250000 Ga\n0.328059 0.164030 0.250000 Ga\n",
"nsites": 8,
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"elements": [
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"density": 5.111566826224916,
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"volume": 151.69231322431676,
"volume_molar": 11.418905780585563,
"formula_full": "Mg2 Ga6",
"formula_reduced": "MgGa3",
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"energy_above_hull": 0.00943,
"spacegroup": 194
},
{
"id": "jvasp-90593",
"created_at": "2022-09-04T14:35:47.565978Z",
"updated_at": "2022-09-04T14:35:47.566002Z",
"structure_string": "Mg4 Ga4\n1.0\n5.651801 0.000000 0.000000\n-0.000000 5.651801 0.000000\n-0.000000 -0.000000 5.651801\nMg Ga\n4 4\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ga-Mg",
"density": 3.459439195345027,
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"volume": 180.53465725237865,
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"formula_full": "Mg4 Ga4",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.3231355,
"spacegroup": 225
},
{
"id": "jvasp-78561",
"created_at": "2022-09-04T14:36:34.779403Z",
"updated_at": "2022-09-04T14:36:34.779429Z",
"structure_string": "Mg1 Ga1\n1.0\n3.083995 0.000000 0.000000\n0.000000 3.083995 0.000000\n0.000000 0.000000 3.997886\nMg Ga\n1 1\ndirect\n0.500001 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Ga\n",
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"elements": [
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"volume": 38.023994332911705,
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"formula_full": "Mg1 Ga1",
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"spacegroup": 123
},
{
"id": "jvasp-91865",
"created_at": "2022-09-04T14:35:41.769387Z",
"updated_at": "2022-09-04T14:35:41.769416Z",
"structure_string": "Mg7 Ga1\n1.0\n6.271087 0.000000 0.000000\n-3.135543 5.430920 0.000000\n-0.000000 0.000000 5.116690\nMg Ga\n7 1\ndirect\n0.165604 0.832801 0.250000 Mg\n0.667199 0.334397 0.250000 Mg\n0.667199 0.832801 0.250000 Mg\n0.331428 0.168572 0.750000 Mg\n0.331428 0.662857 0.750000 Mg\n0.837143 0.168572 0.750000 Mg\n0.833334 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Ga\n",
"nsites": 8,
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"elements": [
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"density": 2.2855881127341724,
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"volume": 174.2630604427136,
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"formula_full": "Mg7 Ga1",
"formula_reduced": "Mg7Ga",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-79164",
"created_at": "2022-09-04T14:38:03.415799Z",
"updated_at": "2022-09-04T14:38:03.415828Z",
"structure_string": "Mg3 Ga1\n1.0\n6.168729 -0.137430 0.000000\n-1.601690 2.774210 -0.000000\n0.000000 0.000000 4.951562\nMg Ga\n3 1\ndirect\n0.671581 0.671581 0.250000 Mg\n0.324592 0.324592 0.750000 Mg\n0.834642 0.334642 0.750000 Mg\n0.169185 0.669185 0.250000 Ga\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.047819506497751955,
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"spacegroup": 25
},
{
"id": "jvasp-110005",
"created_at": "2022-09-04T14:37:58.812066Z",
"updated_at": "2022-09-04T14:37:58.812099Z",
"structure_string": "Mg1 Ga3\n1.0\n3.929103 0.184736 -3.451766\n-0.686600 3.873055 -3.451766\n-0.147619 -0.184736 5.227882\nMg Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500001 -0.000000 Ga\n0.749999 0.250001 0.499999 Ga\n0.250000 0.750001 0.499999 Ga\n",
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},
{
"id": "jvasp-38944",
"created_at": "2022-09-04T14:37:55.720513Z",
"updated_at": "2022-09-04T14:37:55.720546Z",
"structure_string": "Mg3 Ga1\n1.0\n4.336513 0.000000 0.000000\n-0.000000 4.336513 0.000000\n-0.000000 -0.000000 4.336513\nMg Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
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}