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{
"id": "jvasp-106512",
"created_at": "2022-09-04T14:36:54.144615Z",
"updated_at": "2022-09-04T14:36:54.144641Z",
"structure_string": "Ga1 Ge3\n1.0\n4.167402 0.000000 2.406051\n1.389134 3.929064 2.406051\n0.000000 0.000000 4.812101\nGa Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ge\n0.749999 0.749999 0.750000 Ge\n0.499999 0.499999 0.500000 Ge\n",
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{
"id": "jvasp-107922",
"created_at": "2022-09-04T14:37:50.465896Z",
"updated_at": "2022-09-04T14:37:50.465923Z",
"structure_string": "Ga6 Ge2\n1.0\n6.025792 -0.000000 0.000000\n-3.012895 5.218489 0.000000\n-0.000000 -0.000000 4.959788\nGa Ge\n6 2\ndirect\n0.167567 0.335134 0.250000 Ga\n0.664865 0.832433 0.250000 Ga\n0.167567 0.832433 0.250000 Ga\n0.832432 0.664866 0.750000 Ga\n0.335134 0.167568 0.750000 Ga\n0.832432 0.167568 0.750000 Ga\n0.333333 0.666667 0.750000 Ge\n0.666666 0.333333 0.250000 Ge\n",
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"formula_reduced": "Ga3Ge",
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{
"id": "jvasp-100172",
"created_at": "2022-09-04T14:36:31.974786Z",
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"structure_string": "Ga2 Ge6\n1.0\n6.000990 0.000000 0.000000\n-3.000495 5.197010 0.000000\n0.000000 -0.000000 5.079580\nGa Ge\n2 6\ndirect\n0.333332 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.163851 0.327703 0.250000 Ge\n0.672297 0.836149 0.250000 Ge\n0.163851 0.836149 0.250000 Ge\n0.836148 0.672297 0.750000 Ge\n0.327703 0.163851 0.750000 Ge\n0.836148 0.163851 0.750000 Ge\n",
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"elements": [
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"density": 6.030157321355924,
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"volume": 158.41790297657522,
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"formula_full": "Ga2 Ge6",
"formula_reduced": "GaGe3",
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"spacegroup": 194
},
{
"id": "jvasp-39357",
"created_at": "2022-09-04T14:38:02.159245Z",
"updated_at": "2022-09-04T14:38:02.159257Z",
"structure_string": "Ga3 Ge1\n1.0\n4.271333 0.000000 -0.000000\n0.000000 4.271333 0.000000\n-0.000000 0.000000 4.271333\nGa Ge\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Ge",
"density": 6.005009007552539,
"density_atomic": 0.05132981490448702,
"volume": 77.9274191314167,
"volume_molar": 11.732247176822707,
"formula_full": "Ga3 Ge1",
"formula_reduced": "Ga3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0042675,
"spacegroup": 221
},
{
"id": "jvasp-109183",
"created_at": "2022-09-04T14:38:18.044503Z",
"updated_at": "2022-09-04T14:38:18.044535Z",
"structure_string": "Ga1 Ge1\n1.0\n3.541840 -0.000000 2.044882\n1.180613 3.339279 2.044882\n-0.000000 -0.000000 4.089764\nGa Ge\n1 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge",
"density": 4.88727004261919,
"density_atomic": 0.041347580676095584,
"volume": 48.37042379014613,
"volume_molar": 14.564675034255634,
"formula_full": "Ga1 Ge1",
"formula_reduced": "GaGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.24688865,
"spacegroup": 216
},
{
"id": "jvasp-99534",
"created_at": "2022-09-04T14:36:31.001731Z",
"updated_at": "2022-09-04T14:36:31.001753Z",
"structure_string": "Ga6 Hg2\n1.0\n6.314845 0.000000 0.000000\n-3.157422 5.468816 0.000000\n0.000000 0.000000 4.913514\nGa Hg\n6 2\ndirect\n0.161327 0.322653 0.250000 Ga\n0.677347 0.838674 0.250000 Ga\n0.161327 0.838674 0.250000 Ga\n0.838673 0.677348 0.749999 Ga\n0.322653 0.161327 0.749999 Ga\n0.838673 0.161327 0.749999 Ga\n0.333333 0.666667 0.749999 Hg\n0.666666 0.333334 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 8.019723400958775,
"density_atomic": 0.04714566678806781,
"volume": 169.6868566089458,
"volume_molar": 12.773476695262598,
"formula_full": "Ga6 Hg2",
"formula_reduced": "Ga3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.008325,
"spacegroup": 194
},
{
"id": "jvasp-107655",
"created_at": "2022-09-04T14:37:01.212800Z",
"updated_at": "2022-09-04T14:37:01.212836Z",
"structure_string": "Ga3 Hg1\n1.0\n3.932758 -0.000393 -3.915135\n-0.679322 3.873642 -3.915135\n0.000330 0.000393 5.549312\nGa Hg\n3 1\ndirect\n0.750001 0.250000 0.500001 Ga\n0.250000 0.749999 0.500001 Ga\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Hg"
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"chemical_system": "Ga-Hg",
"density": 8.047615109473043,
"density_atomic": 0.04730963418819115,
"volume": 84.54937495581885,
"volume_molar": 12.729205928848998,
"formula_full": "Ga3 Hg1",
"formula_reduced": "Ga3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.003005,
"spacegroup": 139
},
{
"id": "jvasp-105745",
"created_at": "2022-09-04T14:35:49.776008Z",
"updated_at": "2022-09-04T14:35:49.776028Z",
"structure_string": "Ga1 Hg3\n1.0\n4.508896 0.000000 2.603212\n1.502965 4.251028 2.603212\n0.000000 0.000000 5.206425\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.749999 Hg\n0.500001 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Ga-Hg",
"density": 11.173437056565062,
"density_atomic": 0.04008262826322132,
"volume": 99.7938551766648,
"volume_molar": 15.024316071423254,
"formula_full": "Ga1 Hg3",
"formula_reduced": "GaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00336,
"spacegroup": 225
},
{
"id": "jvasp-102931",
"created_at": "2022-09-04T14:38:40.140615Z",
"updated_at": "2022-09-04T14:38:40.140635Z",
"structure_string": "Ga1 Hg3\n1.0\n4.137508 -0.125948 -4.005088\n-0.829676 4.055425 -4.005088\n0.106023 0.125948 5.757470\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Hg\n0.249999 0.750001 0.500000 Hg\n0.500000 0.500000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 11.118588415905336,
"density_atomic": 0.039885868961389924,
"volume": 100.28614404444981,
"volume_molar": 15.098431892832812,
"formula_full": "Ga1 Hg3",
"formula_reduced": "GaHg3",
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"spacegroup": 139
},
{
"id": "jvasp-122669",
"created_at": "2022-09-04T14:38:54.686819Z",
"updated_at": "2022-09-04T14:38:54.686846Z",
"structure_string": "Ga3 Hg1\n1.0\n4.744481 -0.138386 -0.025996\n-2.417621 4.084649 0.025996\n-0.030143 0.017774 4.703397\nGa Hg\n3 1\ndirect\n0.360307 0.639692 0.437940 Ga\n0.835217 0.164782 0.077606 Ga\n0.664686 0.335313 0.558236 Ga\n0.139790 0.860210 0.926219 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density": 7.596363999763761,
"density_atomic": 0.044656857603208665,
"volume": 89.57190932558125,
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"formula_full": "Ga3 Hg1",
"formula_reduced": "Ga3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-114953",
"created_at": "2022-09-04T14:38:44.258847Z",
"updated_at": "2022-09-04T14:38:44.258875Z",
"structure_string": "Ga2 I1\n1.0\n5.728595 0.000000 0.000000\n0.000000 3.708807 0.000000\n0.000000 0.000000 5.141646\nGa I\n2 1\ndirect\n-0.033494 0.000000 0.752424 Ga\n-0.033494 0.000000 0.247577 Ga\n0.466989 0.000000 0.000000 I\n",
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"elements": [
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"I"
],
"chemical_system": "Ga-I",
"density": 4.048722759407782,
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"volume": 109.24071296671484,
"volume_molar": 21.928765006943795,
"formula_full": "Ga2 I1",
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"formula_anonymous": "AB2",
"energy_above_hull": 0.0209999999999999,
"spacegroup": 47
},
{
"id": "jvasp-114952",
"created_at": "2022-09-04T14:38:43.894415Z",
"updated_at": "2022-09-04T14:38:43.894431Z",
"structure_string": "Ga1 I1\n1.0\n5.376953 -0.000000 -0.000000\n-2.688477 4.656578 -0.000000\n-0.000000 0.000000 4.405441\nGa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.000000 I\n",
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"elements": [
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"density": 2.9600617911093505,
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"volume": 110.30431745796542,
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"formula_full": "Ga1 I1",
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"spacegroup": 187
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]
}