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{
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{
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{
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"structure_string": "Zr1 Zn1 Ga1 Fe1\n1.0\n0.000000 3.135022 3.135022\n3.135022 0.000000 3.135022\n3.135022 3.135022 0.000000\nFe Ga Zn Zr\n1 1 1 1\ndirect\n0.749999 0.749999 0.749999 Fe\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Zn\n0.500001 0.500001 0.500001 Zr\n",
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"formula_full": "Zr1 Zn1 Ga1 Fe1",
"formula_reduced": "ZrZnGaFe",
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{
"id": "oqmd-763534",
"created_at": "2022-09-04T15:22:03.499806Z",
"updated_at": "2022-09-04T15:22:03.499834Z",
"structure_string": "Zr1 Zn1 Ga1 Cu1\n1.0\n0.000000 3.170833 3.170833\n3.170833 0.000000 3.170833\n3.170833 3.170833 0.000000\nCu Ga Zn Zr\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Cu\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Zn\n0.499999 0.499999 0.499999 Zr\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cu-Ga-Zn-Zr",
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"density_atomic": 0.06273499785106654,
"volume": 63.7602636011248,
"volume_molar": 9.599332057516952,
"formula_full": "Zr1 Zn1 Ga1 Cu1",
"formula_reduced": "ZrZnGaCu",
"formula_anonymous": "ABCD",
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"spacegroup": 216
},
{
"id": "oqmd-797004",
"created_at": "2022-09-04T15:24:35.469353Z",
"updated_at": "2022-09-04T15:24:35.469364Z",
"structure_string": "Zr1 Zn1 Ga1 Cu1\n1.0\n0.000000 3.177602 3.177602\n3.177602 0.000000 3.177602\n3.177602 3.177602 0.000000\nCu Ga Zn Zr\n1 1 1 1\ndirect\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Zr\n",
"nsites": 4,
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"volume": 64.16947647892937,
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"formula_full": "Zr1 Zn1 Ga1 Cu1",
"formula_reduced": "ZrZnGaCu",
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},
{
"id": "oqmd-794689",
"created_at": "2022-09-04T15:24:30.389934Z",
"updated_at": "2022-09-04T15:24:30.389954Z",
"structure_string": "Zr1 Zn1 Ga1 Cu1\n1.0\n0.000000 3.178707 3.178707\n3.178707 0.000000 3.178707\n3.178707 3.178707 0.000000\nCu Ga Zn Zr\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ga\n0.250001 0.250001 0.250001 Zn\n0.499999 0.499999 0.499999 Zr\n",
"nsites": 4,
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{
"id": "oqmd-774866",
"created_at": "2022-09-04T15:22:46.447118Z",
"updated_at": "2022-09-04T15:22:46.447144Z",
"structure_string": "Zr1 Zn1 Ga1 Co1\n1.0\n0.000000 3.121261 3.121261\n3.121261 0.000000 3.121261\n3.121261 3.121261 0.000000\nCo Ga Zn Zr\n1 1 1 1\ndirect\n0.750001 0.750001 0.750001 Co\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Zr\n",
"nsites": 4,
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"elements": [
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"formula_full": "Zr1 Zn1 Ga1 Co1",
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{
"id": "oqmd-772570",
"created_at": "2022-09-04T15:22:53.301959Z",
"updated_at": "2022-09-04T15:22:53.301973Z",
"structure_string": "Zr1 Zn1 Ga1 Co1\n1.0\n0.000000 3.109029 3.109029\n3.109029 0.000000 3.109029\n3.109029 3.109029 0.000000\nCo Ga Zn Zr\n1 1 1 1\ndirect\n0.749999 0.749999 0.749999 Co\n0.000000 0.000000 0.000000 Ga\n0.249999 0.249999 0.249999 Zn\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 4,
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"elements": [
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"formula_full": "Zr1 Zn1 Ga1 Co1",
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},
{
"id": "oqmd-1141019",
"created_at": "2022-09-04T15:46:50.747912Z",
"updated_at": "2022-09-04T15:46:50.747943Z",
"structure_string": "Zr1 Zn1 Ga2\n1.0\n0.000000 3.286565 3.286565\n3.286565 0.000000 3.286565\n3.286565 3.286565 0.000000\nGa Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Ga\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Zr\n",
"nsites": 4,
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"formula_full": "Zr1 Zn1 Ga2",
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},
{
"id": "oqmd-1123447",
"created_at": "2022-09-04T15:44:33.268680Z",
"updated_at": "2022-09-04T15:44:33.268697Z",
"structure_string": "Zr1 Zn1 Ga2\n1.0\n0.000000 3.286700 3.286700\n3.286700 0.000000 3.286700\n3.286700 3.286700 0.000000\nGa Zn Zr\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Zr\n",
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{
"id": "oqmd-521489",
"created_at": "2022-09-04T15:10:27.287285Z",
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"structure_string": "Zr1 Zn1 Ga2\n1.0\n0.000000 3.274865 3.274865\n3.274865 0.000000 3.274865\n3.274865 3.274865 0.000000\nGa Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.499999 Ga\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zr\n",
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{
"id": "oqmd-1252765",
"created_at": "2022-09-04T15:41:00.717551Z",
"updated_at": "2022-09-04T15:41:00.717577Z",
"structure_string": "Zr1 Zn2 Ga2\n1.0\n-1.961261 1.961261 5.447469\n1.961261 -1.961261 5.447469\n1.961261 1.961261 -5.447469\nGa Zn Zr\n2 2 1\ndirect\n0.392927 0.392927 0.000000 Ga\n0.607073 0.607073 0.000000 Ga\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.000000 0.000000 0.000000 Zr\n",
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