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{
"id": "jvasp-14524",
"created_at": "2022-09-04T14:38:03.674846Z",
"updated_at": "2022-09-04T14:38:03.674864Z",
"structure_string": "Ga2 Mo6\n1.0\n4.964847 0.000000 0.000000\n-0.000000 4.964847 0.000000\n0.000000 -0.000000 4.964847\nGa Mo\n2 6\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.250000 0.000000 0.500000 Mo\n0.750000 0.000000 0.500000 Mo\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n",
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{
"id": "jvasp-78357",
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"structure_string": "Ga1 N1\n1.0\n-2.270275 -2.270275 0.000000\n-2.270275 -0.000000 -2.270275\n-0.000000 -2.270275 -2.270275\nGa N\n1 1\ndirect\n0.749998 0.749998 0.749998 Ga\n0.000000 0.000000 0.000000 N\n",
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"volume": 23.40266931505409,
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{
"id": "jvasp-8169",
"created_at": "2022-09-04T14:36:49.845616Z",
"updated_at": "2022-09-04T14:36:49.845637Z",
"structure_string": "Ga1 N1\n1.0\n2.780506 0.000000 1.605326\n0.926835 2.621486 1.605326\n-0.000000 0.000000 3.210651\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250001 0.250000 0.250000 N\n",
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"elements": [
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"density": 5.941062939584205,
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"volume": 23.402619918116656,
"volume_molar": 7.046693564983909,
"formula_full": "Ga1 N1",
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"spacegroup": 216
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{
"id": "jvasp-30",
"created_at": "2022-09-04T14:37:56.823101Z",
"updated_at": "2022-09-04T14:37:56.823129Z",
"structure_string": "Ga2 N2\n1.0\n1.605640 -2.781051 0.000000\n1.605640 2.781051 0.000000\n0.000000 0.000000 5.240440\nGa N\n2 2\ndirect\n0.333333 0.666667 0.500586 Ga\n0.666667 0.333333 0.000586 Ga\n0.333333 0.666667 0.124414 N\n0.666667 0.333333 0.624414 N\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-N",
"density": 5.941604607003565,
"density_atomic": 0.08546830884621624,
"volume": 46.80097282838753,
"volume_molar": 7.046051151937126,
"formula_full": "Ga2 N2",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.2835277874999995,
"spacegroup": 186
},
{
"id": "jvasp-28345",
"created_at": "2022-09-04T14:37:51.998026Z",
"updated_at": "2022-09-04T14:37:51.998051Z",
"structure_string": "Ga2 N2\n1.0\n3.211252 -0.000000 0.000000\n-1.605626 2.781153 -0.000000\n-0.000000 -0.000000 7.652274\nGa N\n2 2\ndirect\n0.333348 0.666697 0.940006 Ga\n0.666650 0.333302 0.440006 Ga\n-0.000016 -0.000034 0.439993 N\n0.000016 0.000034 0.939993 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Ga-N",
"density": 4.0688234606299964,
"density_atomic": 0.05852887951580355,
"volume": 68.34233002734912,
"volume_molar": 10.289178282276776,
"formula_full": "Ga2 N2",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.4993777874999996,
"spacegroup": 194
},
{
"id": "jvasp-8027",
"created_at": "2022-09-04T14:37:10.137361Z",
"updated_at": "2022-09-04T14:37:10.137393Z",
"structure_string": "Ga1 N1\n1.0\n2.611547 -0.000000 1.507777\n0.870516 2.462190 1.507777\n0.000000 0.000000 3.015554\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500002 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Ga-N",
"density": 7.1703790314759575,
"density_atomic": 0.10314388286360306,
"volume": 19.39038888660794,
"volume_molar": 5.8385825633146355,
"formula_full": "Ga1 N1",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5174477874999996,
"spacegroup": 225
},
{
"id": "jvasp-16519",
"created_at": "2022-09-04T14:37:42.152846Z",
"updated_at": "2022-09-04T14:37:42.152878Z",
"structure_string": "Ga3 Ni2\n1.0\n2.034439 -3.523752 0.000000\n2.034439 3.523752 -0.000000\n0.000000 -0.000000 4.906810\nGa Ni\n3 2\ndirect\n0.666667 0.333333 0.639252 Ga\n0.333333 0.666667 0.360748 Ga\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.142368 Ni\n0.333333 0.666667 0.857632 Ni\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Ga-Ni",
"density": 7.707743502786273,
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"volume": 70.35245310495803,
"volume_molar": 8.473447508187126,
"formula_full": "Ga3 Ni2",
"formula_reduced": "Ga3Ni2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.1075517714285715,
"spacegroup": 164
},
{
"id": "jvasp-109526",
"created_at": "2022-09-04T14:38:07.626842Z",
"updated_at": "2022-09-04T14:38:07.626871Z",
"structure_string": "Ga2 Ni6\n1.0\n5.071582 0.000000 0.000000\n-2.535792 4.392118 0.000000\n-0.000000 0.000000 4.077073\nGa Ni\n2 6\ndirect\n0.333334 0.666667 0.749999 Ga\n0.666667 0.333333 0.250000 Ga\n0.164497 0.328994 0.250000 Ni\n0.671006 0.835503 0.250000 Ni\n0.164497 0.835503 0.250000 Ni\n0.835503 0.671006 0.749999 Ni\n0.328994 0.164497 0.749999 Ni\n0.835503 0.164497 0.749999 Ni\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ga-Ni",
"density": 8.988778665966047,
"density_atomic": 0.08808948037395657,
"volume": 90.81674640420718,
"volume_molar": 6.836390377641994,
"formula_full": "Ga2 Ni6",
"formula_reduced": "GaNi3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-20522",
"created_at": "2022-09-04T14:38:08.134197Z",
"updated_at": "2022-09-04T14:38:08.134223Z",
"structure_string": "Ga1 Ni1\n1.0\n2.912386 0.000000 -0.000000\n0.000000 2.912386 -0.000000\n0.000000 0.000000 2.912386\nGa Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.500001 Ni\n",
"nsites": 2,
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"elements": [
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"density": 8.632225644151882,
"density_atomic": 0.08096236605157756,
"volume": 24.702835373238575,
"volume_molar": 7.438197589437492,
"formula_full": "Ga1 Ni1",
"formula_reduced": "GaNi",
"formula_anonymous": "AB",
"energy_above_hull": 0.0560435428571428,
"spacegroup": 221
},
{
"id": "jvasp-54812",
"created_at": "2022-09-04T14:36:32.180795Z",
"updated_at": "2022-09-04T14:36:32.180820Z",
"structure_string": "Ga2 Ni4\n1.0\n2.023469 -3.504751 0.000000\n2.023469 3.504751 -0.000000\n-0.000000 0.000000 5.035205\nGa Ni\n2 4\ndirect\n0.333333 0.666667 0.749999 Ga\n0.666667 0.333333 0.250000 Ga\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.749999 Ni\n0.333333 0.666667 0.250000 Ni\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 6,
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"elements": [
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"density": 8.701111853318217,
"density_atomic": 0.08401375080401165,
"volume": 71.41688048182584,
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"formula_full": "Ga2 Ni4",
"formula_reduced": "GaNi2",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-19846",
"created_at": "2022-09-04T14:36:37.263445Z",
"updated_at": "2022-09-04T14:36:37.263470Z",
"structure_string": "Ga1 Ni3\n1.0\n3.582651 0.000000 0.000000\n0.000000 3.582651 0.000000\n-0.000000 0.000000 3.582651\nGa Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
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"formula_full": "Ga1 Ni3",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-22797",
"created_at": "2022-09-04T14:37:54.161810Z",
"updated_at": "2022-09-04T14:37:54.161835Z",
"structure_string": "Ga14 Ni6\n1.0\n6.920074 0.000000 -2.446616\n-3.460037 5.992960 -2.446616\n0.000000 -0.000000 7.339847\nGa Ni\n14 6\ndirect\n0.750000 0.250000 0.499999 Ga\n0.000000 0.000000 0.676852 Ga\n-0.000000 0.676851 -0.000001 Ga\n0.000000 0.000000 0.323149 Ga\n-0.000000 0.323149 -0.000000 Ga\n0.323148 0.000000 -0.000000 Ga\n0.323148 0.323149 0.323148 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.750000 0.499999 Ga\n0.676851 0.676851 0.676851 Ga\n0.250000 0.500000 0.750000 Ga\n0.749999 0.500000 0.249999 Ga\n0.499999 0.750000 0.249999 Ga\n0.676851 0.000000 -0.000001 Ga\n-0.000000 0.650489 0.650488 Ni\n0.349511 0.349511 -0.000001 Ni\n0.650488 0.650489 -0.000001 Ni\n0.650488 0.000000 0.650488 Ni\n0.349511 0.000000 0.349511 Ni\n-0.000000 0.349511 0.349511 Ni\n",
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"formula_full": "Ga14 Ni6",
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"spacegroup": 229
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]
}