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{
"id": "jvasp-101628",
"created_at": "2022-09-04T14:37:15.943012Z",
"updated_at": "2022-09-04T14:37:15.943035Z",
"structure_string": "Zr1 Ga1 Ru2\n1.0\n3.856354 0.000000 2.226467\n1.285451 3.635806 2.226467\n-0.000000 0.000000 4.452934\nZr Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.500001 0.500000 Ga\n0.250000 0.250000 0.250000 Ru\n0.749999 0.750001 0.750000 Ru\n",
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{
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"structure_string": "K2 Hg1 Se1\n1.0\n-9.382682 -2.591309 -9.648683\n-5.016922 -2.267782 -1.001709\n-3.400894 2.303035 -3.800751\nK Hg Se\n2 1 1\ndirect\n0.750020 0.000021 0.000021 K\n0.249980 -0.000021 -0.000021 K\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-80888",
"created_at": "2022-09-04T14:37:15.904607Z",
"updated_at": "2022-09-04T14:37:15.904631Z",
"structure_string": "Li1 Ga2 Cu1\n1.0\n-8.758357 0.000000 -5.056640\n-8.360124 -0.044169 4.366880\n-5.685339 7.521266 -0.265983\nLi Ga Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735992 0.000000 0.000000 Ga\n0.264008 0.000000 0.000000 Ga\n0.500000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Ga-Li",
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"density_atomic": 0.006592115349473588,
"volume": 606.7854987275699,
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"formula_full": "Li1 Ga2 Cu1",
"formula_reduced": "LiGa2Cu",
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"spacegroup": 71
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{
"id": "jvasp-80883",
"created_at": "2022-09-04T14:37:15.875276Z",
"updated_at": "2022-09-04T14:37:15.875294Z",
"structure_string": "Al1 Ga1 Pd2\n1.0\n-6.350346 -2.745050 -8.149023\n-3.696776 -2.055537 -1.102444\n-2.429906 1.527713 -3.296729\nAl Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.000001 0.000001 Ga\n0.749672 0.000305 0.000306 Pd\n0.250327 -0.000302 -0.000305 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.69770587233027,
"density_atomic": 0.06768500495243752,
"volume": 59.0972845877874,
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"formula_full": "Al1 Ga1 Pd2",
"formula_reduced": "AlGaPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80960",
"created_at": "2022-09-04T14:37:15.864519Z",
"updated_at": "2022-09-04T14:37:15.864541Z",
"structure_string": "Li1 Ti1 Au2\n1.0\n-6.570186 -5.127001 -6.927623\n-2.339012 -3.662343 -6.334587\n-3.425738 -6.118971 -5.533476\nLi Ti Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 -0.000001 -0.000000 Ti\n0.743911 0.002525 0.010543 Au\n0.256091 -0.002527 -0.010544 Au\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.06212735477591408,
"volume": 64.38387751140412,
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"formula_full": "Li1 Ti1 Au2",
"formula_reduced": "LiTiAu2",
"formula_anonymous": "ABC2",
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"spacegroup": 10
},
{
"id": "jvasp-30512",
"created_at": "2022-09-04T14:37:08.641094Z",
"updated_at": "2022-09-04T14:37:08.641115Z",
"structure_string": "Au2 Br2 O4\n1.0\n-0.000000 0.000000 3.924814\n6.514760 0.105700 0.000000\n-2.381228 6.064901 -0.000000\nAu Br O\n2 2 4\ndirect\n0.499999 0.262477 0.262477 Au\n0.000000 0.737523 0.737523 Au\n0.250000 0.355626 0.644373 Br\n0.749999 0.644373 0.355627 Br\n0.710236 0.020257 0.804552 O\n0.789763 0.195447 0.979743 O\n0.289763 0.804552 0.020257 O\n0.210236 0.979743 0.195448 O\n",
"nsites": 8,
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"elements": [
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"formula_full": "Au2 Br2 O4",
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{
"id": "jvasp-80997",
"created_at": "2022-09-04T14:37:08.645643Z",
"updated_at": "2022-09-04T14:37:08.645667Z",
"structure_string": "Zn1 Ni1 Pd2\n1.0\n-8.247590 0.000000 -4.761748\n-8.613103 0.030157 5.394837\n-5.634446 8.455070 0.235653\nZn Ni Pd\n1 1 2\ndirect\n0.500000 -0.000000 0.000000 Zn\n0.000000 0.000000 0.000000 Ni\n0.757721 -0.000000 0.000000 Pd\n0.242279 -0.000000 0.000000 Pd\n",
"nsites": 4,
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"spacegroup": 71
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{
"id": "jvasp-79913",
"created_at": "2022-09-04T14:37:15.863365Z",
"updated_at": "2022-09-04T14:37:15.863381Z",
"structure_string": "Nb1 Zn1 Rh2\n1.0\n-0.000000 3.112794 3.112794\n3.112794 0.000000 3.112794\n3.112794 3.112794 -0.000000\nNb Zn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
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"volume": 60.32275079611812,
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"formula_full": "Nb1 Zn1 Rh2",
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"spacegroup": 225
},
{
"id": "jvasp-80805",
"created_at": "2022-09-04T14:37:08.793528Z",
"updated_at": "2022-09-04T14:37:08.793547Z",
"structure_string": "Zr2 Zn1 Pt1\n1.0\n-9.273061 -0.000000 -5.353804\n-9.517404 0.083246 5.777018\n-6.302732 9.175714 0.209042\nZr Zn Pt\n2 1 1\ndirect\n0.726407 0.000000 -0.000000 Zr\n0.273593 0.000000 -0.000000 Zr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Pt\n",
"nsites": 4,
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"formula_full": "Zr2 Zn1 Pt1",
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"spacegroup": 71
},
{
"id": "jvasp-76760",
"created_at": "2022-09-04T14:37:15.833774Z",
"updated_at": "2022-09-04T14:37:15.833799Z",
"structure_string": "Rb2 Hg1 Se1\n1.0\n-7.376140 -4.360764 -11.379716\n-4.650971 -3.006408 -1.777161\n-2.971597 1.743578 -4.685924\nRb Hg Se\n2 1 1\ndirect\n0.749969 0.000076 0.000078 Rb\n0.250032 -0.000077 -0.000077 Rb\n0.500000 -0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-81302",
"created_at": "2022-09-04T14:37:15.825682Z",
"updated_at": "2022-09-04T14:37:15.825708Z",
"structure_string": "Ti2 Nb1 Pt1\n1.0\n-12.054116 2.241025 -3.299869\n-8.335305 0.959040 0.030877\n-7.389271 3.634831 -1.607703\nTi Nb Pt\n2 1 1\ndirect\n0.749374 0.000398 0.000396 Ti\n0.250627 -0.000397 -0.000398 Ti\n0.000000 0.000000 0.000000 Nb\n0.500001 0.000000 -0.000001 Pt\n",
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{
"id": "jvasp-81698",
"created_at": "2022-09-04T14:37:08.906039Z",
"updated_at": "2022-09-04T14:37:08.906050Z",
"structure_string": "Mn1 Be1 Ir2\n1.0\n-10.841541 0.000000 -6.259368\n-6.442077 -0.350955 -1.360731\n-5.595764 2.042778 -2.826586\nMn Be Ir\n1 1 2\ndirect\n0.500000 -0.000001 -0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.682642 -0.000001 -0.000000 Ir\n0.317358 -0.000000 -0.000000 Ir\n",
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