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{
"id": "jvasp-69204",
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{
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"structure_string": "Eu2 Cl6\n1.0\n7.338511 0.000001 0.000000\n-3.669256 6.355336 0.000000\n0.000000 0.000000 4.144632\nEu Cl\n2 6\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n0.386910 0.300596 0.250000 Cl\n0.913685 0.613091 0.250000 Cl\n0.300595 0.913686 0.750000 Cl\n0.613090 0.699405 0.750000 Cl\n0.086314 0.386910 0.750000 Cl\n0.699405 0.086314 0.250000 Cl\n",
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{
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"structure_string": "Cd2 I4\n1.0\n2.142630 -3.711143 0.000000\n2.142630 3.711143 0.000000\n0.000000 0.000000 13.750837\nCd I\n2 4\ndirect\n0.666667 0.333333 0.500062 Cd\n0.333333 0.666667 0.000062 Cd\n0.000000 0.000000 0.373856 I\n0.000000 0.000000 0.873857 I\n0.333333 0.666667 0.626082 I\n0.666667 0.333333 0.126081 I\n",
"nsites": 6,
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"elements": [
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"formula_full": "Cd2 I4",
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{
"id": "jvasp-71590",
"created_at": "2022-09-04T14:35:47.018954Z",
"updated_at": "2022-09-04T14:35:47.018982Z",
"structure_string": "Be1 Cd1 Hg2\n1.0\n3.072686 0.000000 0.000000\n0.000000 3.072686 -0.000000\n-0.000000 0.000000 8.439195\nBe Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.496482 Be\n0.500001 0.500001 0.694363 Cd\n0.000000 0.000000 0.995109 Hg\n0.500001 0.500001 0.314045 Hg\n",
"nsites": 4,
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"Hg"
],
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"density": 10.891401342068828,
"density_atomic": 0.05020218340596153,
"volume": 79.6778093823903,
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"formula_full": "Be1 Cd1 Hg2",
"formula_reduced": "BeCdHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-90854",
"created_at": "2022-09-04T14:35:43.386296Z",
"updated_at": "2022-09-04T14:35:43.386320Z",
"structure_string": "K1 Cd4 As3\n1.0\n-2.266297 -3.925342 0.000000\n2.266297 -3.925342 0.000000\n-0.000000 -2.616894 12.031292\nK Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.089762 0.089762 0.730713 Cd\n0.910237 0.910237 0.269287 Cd\n0.301042 0.301042 0.096873 Cd\n0.698957 0.698957 0.903127 Cd\n0.226460 0.226460 0.320621 As\n0.773540 0.773540 0.679379 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 8,
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"volume": 214.06052585391396,
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"formula_full": "K1 Cd4 As3",
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"spacegroup": 166
},
{
"id": "jvasp-69242",
"created_at": "2022-09-04T14:35:44.235763Z",
"updated_at": "2022-09-04T14:35:44.235780Z",
"structure_string": "Ba2 Pb1 Cl1\n1.0\n-0.000000 4.189987 4.189987\n4.189987 0.000000 4.189987\n4.189987 4.189987 -0.000000\nBa Pb Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:35:40.719381Z",
"updated_at": "2022-09-04T14:35:40.719402Z",
"structure_string": "Ba1 Ga1 Br1\n1.0\n-0.000000 3.929240 3.929240\n3.929240 0.000000 3.929240\n3.929240 3.929240 -0.000000\nBa Ga Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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{
"id": "jvasp-66431",
"created_at": "2022-09-04T14:36:07.385416Z",
"updated_at": "2022-09-04T14:36:07.385446Z",
"structure_string": "K1 Ba1 Ge1\n1.0\n0.000000 3.895040 3.895040\n3.895040 0.000000 3.895040\n3.895040 3.895040 0.000000\nK Ba Ge\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "jvasp-65213",
"created_at": "2022-09-04T14:35:48.270517Z",
"updated_at": "2022-09-04T14:35:48.270548Z",
"structure_string": "Mg1 Be1 Cu4\n1.0\n-0.000000 3.417629 3.417629\n3.417629 0.000000 3.417629\n3.417629 3.417629 -0.000000\nMg Be Cu\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n0.123864 0.625379 0.625379 Cu\n0.625379 0.625379 0.625379 Cu\n0.625379 0.123864 0.625379 Cu\n0.625379 0.625379 0.123864 Cu\n",
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},
{
"id": "jvasp-65224",
"created_at": "2022-09-04T14:35:50.254503Z",
"updated_at": "2022-09-04T14:35:50.254535Z",
"structure_string": "Ca4 Be1 Zn1\n1.0\n0.000000 4.601113 4.601113\n4.601113 0.000000 4.601113\n4.601113 4.601113 -0.000000\nCa Be Zn\n4 1 1\ndirect\n0.124070 0.625310 0.625310 Ca\n0.625310 0.625310 0.625310 Ca\n0.625310 0.124070 0.625310 Ca\n0.625310 0.625310 0.124070 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n",
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{
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"created_at": "2022-09-04T14:35:42.223568Z",
"updated_at": "2022-09-04T14:35:42.223589Z",
"structure_string": "Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-65709",
"created_at": "2022-09-04T14:36:20.935878Z",
"updated_at": "2022-09-04T14:36:20.935905Z",
"structure_string": "Ba2 Hg1 Te1\n1.0\n-0.000000 4.188771 4.188771\n4.188771 0.000000 4.188771\n4.188771 4.188771 -0.000000\nBa Hg Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
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}