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{
"id": "mp-1096264",
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"structure_string": "Zr1 Cu2 Ag1\n1.0\n-5.052912 5.323866 7.466677\n5.052912 -5.323866 7.466677\n5.052912 5.323866 -7.466677\nZr Cu Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.252675 0.252675 Cu\n0.000000 0.747325 0.747325 Cu\n0.000000 0.500000 0.500000 Ag\n",
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{
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"updated_at": "2021-11-28T01:36:02.107000Z",
"spacegroup": 71
},
{
"id": "mp-1093686",
"created_at": "2022-09-04T14:43:23.371525Z",
"structure_string": "Zr1 Ga1 Ru2\n1.0\n-4.730389 5.471871 7.743730\n4.730389 -5.471871 7.743730\n4.730389 5.471871 -7.743730\nZr Ga Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.261970 0.261970 Ru\n0.000000 0.738030 0.738030 Ru\n",
"nsites": 4,
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],
"chemical_system": "Ga-Ru-Zr",
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"volume": 801.7572573364225,
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"formula_full": "Zr1 Ga1 Ru2",
"formula_reduced": "ZrGaRu2",
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"updated_at": "2021-11-28T01:36:14.972000Z",
"spacegroup": 71
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{
"id": "mp-1097507",
"created_at": "2022-09-04T14:41:23.619942Z",
"structure_string": "Hf1 Mg1 Cu2\n1.0\n-5.141201 5.171511 7.536225\n5.141201 -5.171511 7.536225\n5.141201 5.171511 -7.536225\nHf Mg Cu\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.748821 0.000000 0.748821 Cu\n0.251179 0.000000 0.251179 Cu\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cu-Hf-Mg",
"density": 0.6834683613057586,
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"volume": 801.4858947046606,
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"formula_full": "Hf1 Mg1 Cu2",
"formula_reduced": "HfMgCu2",
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"updated_at": "2021-11-28T01:35:21.379000Z",
"spacegroup": 71
},
{
"id": "mp-1093657",
"created_at": "2022-09-04T14:43:18.402741Z",
"structure_string": "Sc1 Be1 Pt2\n1.0\n-4.471387 5.629834 7.959248\n4.471387 -5.629834 7.959248\n4.471387 5.629834 -7.959248\nSc Be Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Be\n0.000000 0.243312 0.243312 Pt\n0.000000 0.756688 0.756688 Pt\n",
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"volume": 801.4379023776828,
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"formula_full": "Sc1 Be1 Pt2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.546000Z",
"spacegroup": 71
},
{
"id": "mp-1096377",
"created_at": "2022-09-04T14:48:15.304919Z",
"structure_string": "Ti2 Ga1 Tc1\n1.0\n-4.799076 5.408724 7.709321\n4.799076 -5.408724 7.709321\n4.799076 5.408724 -7.709321\nTi Ga Tc\n2 1 1\ndirect\n0.000000 0.280471 0.280471 Ti\n0.000000 0.719529 0.719529 Ti\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Tc\n",
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"elements": [
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"Ga",
"Tc"
],
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"density": 0.5465504685815642,
"density_atomic": 0.004997253981301808,
"volume": 800.4396044241043,
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"formula_full": "Ti2 Ga1 Tc1",
"formula_reduced": "Ti2GaTc",
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"energy": -17.76853007,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.739000Z",
"spacegroup": 71
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{
"id": "mp-1093685",
"created_at": "2022-09-04T14:40:04.756028Z",
"structure_string": "Hf1 Ta1 Fe2\n1.0\n-4.475420 5.638526 7.928334\n4.475420 -5.638526 7.928334\n4.475420 5.638526 -7.928334\nHf Ta Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Ta\n0.000000 0.255598 0.255598 Fe\n0.000000 0.744402 0.744402 Fe\n",
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"elements": [
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"Ta",
"Fe"
],
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"density": 0.9775671252330177,
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"volume": 800.2788042999683,
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"formula_full": "Hf1 Ta1 Fe2",
"formula_reduced": "HfTaFe2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.606000Z",
"spacegroup": 71
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{
"id": "mp-1096596",
"created_at": "2022-09-04T14:42:28.962261Z",
"structure_string": "Ti1 Cu1 Au2\n1.0\n-4.997038 5.317967 7.525195\n4.997038 -5.317967 7.525195\n4.997038 5.317967 -7.525195\nTi Cu Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cu\n0.000000 0.252190 0.252190 Au\n0.000000 0.747810 0.747810 Au\n",
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"volume": 799.9006315554363,
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"formula_full": "Ti1 Cu1 Au2",
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"band_gap": 0.2222999999999997,
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"updated_at": "2021-11-28T01:35:51.268000Z",
"spacegroup": 71
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{
"id": "mp-1096551",
"created_at": "2022-09-04T14:40:56.369888Z",
"structure_string": "In1 Fe1 Rh2\n1.0\n-4.798465 5.428729 7.675657\n4.798465 -5.428729 7.675657\n4.798465 5.428729 -7.675657\nIn Fe Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Fe\n0.000000 0.230568 0.230568 Rh\n0.000000 0.769432 0.769432 Rh\n",
"nsites": 4,
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"elements": [
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"density": 0.7816422773934327,
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"volume": 799.7901375599529,
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"formula_full": "In1 Fe1 Rh2",
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"updated_at": "2021-11-28T01:35:01.820000Z",
"spacegroup": 71
},
{
"id": "mp-1097517",
"created_at": "2022-09-04T14:41:52.310497Z",
"structure_string": "Hf1 Ti1 Tc2\n1.0\n-4.514753 5.677284 7.799746\n4.514753 -5.677284 7.799746\n4.514753 5.677284 -7.799746\nHf Ti Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.240341 0.240341 Tc\n0.000000 0.759659 0.759659 Tc\n",
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"updated_at": "2021-11-28T01:35:31.368000Z",
"spacegroup": 71
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{
"id": "mp-1096560",
"created_at": "2022-09-04T14:45:13.471540Z",
"structure_string": "Hf1 Zr1 Ru2\n1.0\n-4.575617 5.570926 7.837189\n4.575617 -5.570926 7.837189\n4.575617 5.570926 -7.837189\nHf Zr Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.000000 0.249166 0.249166 Ru\n0.000000 0.750834 0.750834 Ru\n",
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{
"id": "mp-1096506",
"created_at": "2022-09-04T14:47:23.946763Z",
"structure_string": "Sc2 Co1 Rh1\n1.0\n-4.503560 5.600224 7.919843\n4.503560 -5.600224 7.919843\n4.503560 5.600224 -7.919843\nSc Co Rh\n2 1 1\ndirect\n0.000000 0.243477 0.243477 Sc\n0.000000 0.756523 0.756523 Sc\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Rh\n",
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"formula_full": "Sc2 Co1 Rh1",
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"total_magnetization": 8.58e-05,
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"updated_at": "2021-11-28T01:38:00.771000Z",
"spacegroup": 71
}
]
}