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{
"id": "jvasp-16525",
"created_at": "2022-09-04T14:37:51.090516Z",
"updated_at": "2022-09-04T14:37:51.090541Z",
"structure_string": "Ga1 Pt3\n1.0\n3.947356 -0.000000 -0.000000\n0.000000 3.947356 -0.000000\n0.000000 -0.000000 3.947356\nGa Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500001 0.500001 Pt\n0.500001 0.500001 0.000000 Pt\n0.500001 0.000000 0.500001 Pt\n",
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{
"id": "jvasp-16526",
"created_at": "2022-09-04T14:37:55.307084Z",
"updated_at": "2022-09-04T14:37:55.307109Z",
"structure_string": "Sc2 Ga2\n1.0\n3.861471 0.000000 0.000000\n-0.000000 3.755493 -1.480116\n0.000000 -0.009239 5.481012\nSc Ga\n2 2\ndirect\n0.250000 0.861863 0.723727 Sc\n0.750000 0.138136 0.276271 Sc\n0.250000 0.582973 0.165948 Ga\n0.750000 0.417026 0.834051 Ga\n",
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"formula_full": "Sc2 Ga2",
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{
"id": "jvasp-16527",
"created_at": "2022-09-04T14:37:43.122202Z",
"updated_at": "2022-09-04T14:37:43.122224Z",
"structure_string": "Sc2 Ga4\n1.0\n3.788576 -0.000000 1.520735\n1.538335 5.090690 1.647147\n-0.035119 0.036554 5.567056\nSc Ga\n2 4\ndirect\n0.563290 0.686709 0.186710 Sc\n0.436710 0.313290 0.813292 Sc\n0.157209 0.296168 0.389414 Ga\n0.842791 0.703832 0.610588 Ga\n0.157208 0.889413 0.796170 Ga\n0.842792 0.110586 0.203833 Ga\n",
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"elements": [
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"volume": 107.49811791892375,
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"formula_full": "Sc2 Ga4",
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"formula_anonymous": "AB2",
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"spacegroup": 74
},
{
"id": "jvasp-16528",
"created_at": "2022-09-04T14:37:27.590705Z",
"updated_at": "2022-09-04T14:37:27.590725Z",
"structure_string": "Sc2 Ga4\n1.0\n3.913187 0.000000 -1.204826\n0.000000 4.141870 0.000000\n-0.088391 0.000000 6.670193\nSc Ga\n2 4\ndirect\n0.347398 0.000000 0.694796 Sc\n0.652603 0.000000 0.305203 Sc\n0.821900 0.500000 0.643798 Ga\n0.178101 0.500000 0.356201 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 6,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Sc",
"density": 5.687934755885199,
"density_atomic": 0.05572644563274518,
"volume": 107.66880844225896,
"volume_molar": 10.806611998345998,
"formula_full": "Sc2 Ga4",
"formula_reduced": "ScGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3282299666666667,
"spacegroup": 65
},
{
"id": "jvasp-16529",
"created_at": "2022-09-04T14:37:28.045429Z",
"updated_at": "2022-09-04T14:37:28.045440Z",
"structure_string": "Ta1 Ga3\n1.0\n3.548445 0.000000 -1.418519\n-0.567065 3.502842 -1.418519\n0.001723 0.002024 5.151811\nTa Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.749999 0.499999 Ga\n0.749999 0.249999 0.499999 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ga"
],
"chemical_system": "Ga-Ta",
"density": 10.113165437337521,
"density_atomic": 0.06244580425626316,
"volume": 64.05554460608633,
"volume_molar": 9.643787651907765,
"formula_full": "Ta1 Ga3",
"formula_reduced": "TaGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.31740904375,
"spacegroup": 139
},
{
"id": "jvasp-16530",
"created_at": "2022-09-04T14:37:56.230429Z",
"updated_at": "2022-09-04T14:37:56.230452Z",
"structure_string": "Tb2 Ga2\n1.0\n4.056274 0.000000 -0.000000\n0.000000 4.033225 -1.602190\n-0.000000 -0.011332 5.849030\nTb Ga\n2 2\ndirect\n0.749999 0.139414 0.278827 Tb\n0.250000 0.860585 0.721173 Tb\n0.749999 0.422981 0.845963 Ga\n0.250000 0.577018 0.154037 Ga\n",
"nsites": 4,
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"elements": [
"Tb",
"Ga"
],
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"density": 7.941781937656251,
"density_atomic": 0.04183413414557272,
"volume": 95.6156995165948,
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"formula_full": "Tb2 Ga2",
"formula_reduced": "TbGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.0806344666666668,
"spacegroup": 63
},
{
"id": "jvasp-16531",
"created_at": "2022-09-04T14:37:49.320382Z",
"updated_at": "2022-09-04T14:37:49.320402Z",
"structure_string": "Tb1 Ga3\n1.0\n4.282182 -0.000000 0.000000\n0.000000 4.282182 0.000000\n0.000000 0.000000 4.282182\nTb Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
"Tb",
"Ga"
],
"chemical_system": "Ga-Tb",
"density": 7.784180252746629,
"density_atomic": 0.05094066692352374,
"volume": 78.52272538962092,
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"formula_full": "Tb1 Ga3",
"formula_reduced": "TbGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-16532",
"created_at": "2022-09-04T14:37:49.631799Z",
"updated_at": "2022-09-04T14:37:49.631821Z",
"structure_string": "Th1 Ga2\n1.0\n2.128383 -3.686468 0.000000\n2.128383 3.686468 0.000000\n0.000000 0.000000 4.262176\nTh Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333332 0.666666 0.500000 Ga\n0.666666 0.333332 0.500000 Ga\n",
"nsites": 3,
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"elements": [
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"density": 9.222903318476286,
"density_atomic": 0.044853840042770037,
"volume": 66.88390552825294,
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"formula_full": "Th1 Ga2",
"formula_reduced": "ThGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5290267500000004,
"spacegroup": 191
},
{
"id": "jvasp-16533",
"created_at": "2022-09-04T14:38:02.134095Z",
"updated_at": "2022-09-04T14:38:02.134124Z",
"structure_string": "Y2 Ga2\n1.0\n4.052605 -0.000000 -0.000000\n-0.000000 4.019473 -1.592245\n0.000000 -0.011403 5.840732\nY Ga\n2 2\ndirect\n0.749999 0.139213 0.278427 Y\n0.250000 0.860787 0.721574 Y\n0.749999 0.422670 0.845339 Ga\n0.250000 0.577330 0.154661 Ga\n",
"nsites": 4,
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"elements": [
"Y",
"Ga"
],
"chemical_system": "Ga-Y",
"density": 5.5414906192576945,
"density_atomic": 0.04207511627414802,
"volume": 95.06806764210175,
"volume_molar": 14.312832128048452,
"formula_full": "Y2 Ga2",
"formula_reduced": "YGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.4753238875000001,
"spacegroup": 63
},
{
"id": "jvasp-16535",
"created_at": "2022-09-04T14:37:59.458595Z",
"updated_at": "2022-09-04T14:37:59.458612Z",
"structure_string": "Er1 Ti2 Ga4\n1.0\n4.731248 -0.000000 2.728880\n2.365624 4.740649 1.364441\n-0.002938 -0.000000 5.470980\nEr Ti Ga\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.500000 0.500000 Ti\n0.249999 0.500000 0.500000 Ti\n0.697459 0.605083 0.000000 Ga\n0.302541 0.394917 0.000000 Ga\n0.697459 0.000000 0.605083 Ga\n0.302541 0.000000 0.394917 Ga\n",
"nsites": 7,
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"elements": [
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"Ti",
"Ga"
],
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"density": 7.330660189377522,
"density_atomic": 0.057027574628548475,
"volume": 122.74763648278568,
"volume_molar": 10.560050640809237,
"formula_full": "Er1 Ti2 Ga4",
"formula_reduced": "Er(TiGa2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1099779952380957,
"spacegroup": 139
},
{
"id": "jvasp-16536",
"created_at": "2022-09-04T14:38:03.034661Z",
"updated_at": "2022-09-04T14:38:03.034679Z",
"structure_string": "Er1 V2 Ga4\n1.0\n4.559568 -0.000000 2.564103\n2.279784 4.652851 1.282052\n-0.000887 0.000000 5.337611\nEr V Ga\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.500000 0.499999 V\n0.249999 0.500000 0.500000 V\n0.697387 0.605225 -0.000001 Ga\n0.302612 0.394775 -0.000000 Ga\n0.697387 0.000000 0.605225 Ga\n0.302612 0.000000 0.394775 Ga\n",
"nsites": 7,
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"elements": [
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],
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"density": 8.035746998897471,
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"volume": 113.24794906434003,
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"formula_full": "Er1 V2 Ga4",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-16537",
"created_at": "2022-09-04T14:38:03.289827Z",
"updated_at": "2022-09-04T14:38:03.289845Z",
"structure_string": "Y2 Ga4 Ni2\n1.0\n4.139579 0.000000 0.000000\n-2.069789 5.046666 0.000000\n0.000000 0.000000 6.613692\nY Ga Ni\n2 4 2\ndirect\n0.073642 0.147285 0.750000 Y\n0.926359 0.852716 0.250000 Y\n0.357948 0.715897 0.946132 Ga\n0.357948 0.715897 0.553867 Ga\n0.642052 0.284104 0.053867 Ga\n0.642052 0.284104 0.446133 Ga\n0.790978 0.581955 0.750000 Ni\n0.209022 0.418046 0.250000 Ni\n",
"nsites": 8,
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"volume": 138.16711968380417,
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"formula_full": "Y2 Ga4 Ni2",
"formula_reduced": "YGa2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.598500625,
"spacegroup": 63
}
]
}