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{
"id": "mp-1006322",
"created_at": "2022-09-04T14:42:56.100969Z",
"structure_string": "Ce2 Fe8 B8\n1.0\n7.007828 0.000000 0.000000\n0.000000 7.007828 0.000000\n0.000000 0.000000 3.816756\nCe Fe B\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.868696 0.385239 0.104426 Fe\n0.131304 0.614761 0.104426 Fe\n0.885239 0.631304 0.604426 Fe\n0.114761 0.368696 0.604426 Fe\n0.631304 0.114761 0.395574 Fe\n0.368696 0.885239 0.395574 Fe\n0.614761 0.868696 0.895574 Fe\n0.385239 0.131304 0.895574 Fe\n0.335226 0.796843 0.895553 B\n0.664774 0.203157 0.895553 B\n0.296843 0.164774 0.395553 B\n0.703157 0.835226 0.395553 B\n0.164774 0.703157 0.604447 B\n0.835226 0.296843 0.604447 B\n0.203157 0.335226 0.104447 B\n0.796843 0.664774 0.104447 B\n",
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{
"id": "mp-1006321",
"created_at": "2022-09-04T14:48:17.675440Z",
"structure_string": "Ce2 Cu4 Sb4\n1.0\n4.626530 0.000000 0.000000\n0.000000 4.626530 0.000000\n0.000000 0.000000 10.317756\nCe Cu Sb\n2 4 4\ndirect\n0.500000 0.000000 0.756035 Ce\n0.000000 0.500000 0.243965 Ce\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.371187 Cu\n0.000000 0.500000 0.628813 Cu\n0.500000 0.000000 0.129044 Sb\n0.000000 0.500000 0.870956 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n",
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"density": 7.680203769534881,
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"formula_full": "Ce2 Cu4 Sb4",
"formula_reduced": "Ce(CuSb)2",
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"energy": -49.49244055999999,
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"updated_at": "2021-11-28T01:38:56.218000Z",
"spacegroup": 129
},
{
"id": "mp-10063",
"created_at": "2022-09-04T14:47:19.745615Z",
"structure_string": "Cd2 Sn2 Sb4\n1.0\n-3.322092 3.322092 6.568412\n3.322092 -3.322092 6.568412\n3.322092 3.322092 -6.568412\nCd Sn Sb\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.122926 0.125000 0.497926 Sb\n0.875000 0.372926 0.997926 Sb\n0.375000 0.877074 0.002074 Sb\n0.627074 0.625000 0.502074 Sb\n",
"nsites": 8,
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"density": 5.43626545738967,
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"volume": 289.96373679240486,
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"formula_full": "Cd2 Sn2 Sb4",
"formula_reduced": "CdSnSb2",
"formula_anonymous": "ABC2",
"energy": -27.46446784,
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"updated_at": "2021-11-28T01:38:01.763000Z",
"spacegroup": 122
},
{
"id": "mp-1006283",
"created_at": "2022-09-04T14:44:07.265504Z",
"structure_string": "Er3 In4 Co2\n1.0\n4.020253 -6.963282 0.000000\n4.020253 6.963282 0.000000\n0.000000 0.000000 3.503605\nEr In Co\n3 4 2\ndirect\n0.258195 0.003900 0.500000 Er\n0.996100 0.254295 0.500000 Er\n0.745705 0.741805 0.500000 Er\n0.666667 0.333333 0.500000 In\n0.044967 0.629386 0.000000 In\n0.370614 0.415581 0.000000 In\n0.584419 0.955033 0.000000 In\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.500000 Co\n",
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"elements": [
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"density": 9.133221368103056,
"density_atomic": 0.045880697114689756,
"volume": 196.160925312498,
"volume_molar": 13.125652264930109,
"formula_full": "Er3 In4 Co2",
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"energy": -40.99244253,
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"updated_at": "2021-11-28T01:36:32.537000Z",
"spacegroup": 174
},
{
"id": "mp-1006282",
"created_at": "2022-09-04T14:40:27.098519Z",
"structure_string": "Nd14 Co6\n1.0\n4.910954 -8.506022 0.000000\n4.910954 8.506022 0.000000\n0.000000 0.000000 6.313414\nNd Co\n14 6\ndirect\n0.333333 0.666667 0.016738 Nd\n0.666667 0.333333 0.516738 Nd\n0.539492 0.460508 0.059243 Nd\n0.460508 0.539492 0.559243 Nd\n0.539492 0.078984 0.059243 Nd\n0.921016 0.460508 0.059243 Nd\n0.078984 0.539492 0.559243 Nd\n0.460508 0.921016 0.559243 Nd\n0.125793 0.874207 0.246267 Nd\n0.874207 0.125793 0.746267 Nd\n0.125793 0.251585 0.246267 Nd\n0.748415 0.874207 0.246267 Nd\n0.251585 0.125793 0.746267 Nd\n0.874207 0.748415 0.746267 Nd\n0.812751 0.187249 0.298736 Co\n0.187249 0.812751 0.798736 Co\n0.812751 0.625502 0.298736 Co\n0.374498 0.187249 0.298736 Co\n0.625502 0.812751 0.798736 Co\n0.187249 0.374498 0.798736 Co\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Nd",
"Co"
],
"chemical_system": "Co-Nd",
"density": 7.470640795892753,
"density_atomic": 0.03791782022640427,
"volume": 527.4564803720679,
"volume_molar": 15.882085847873848,
"formula_full": "Nd14 Co6",
"formula_reduced": "Nd7Co3",
"formula_anonymous": "A3B7",
"energy": -110.39888852,
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"updated_at": "2021-11-28T01:35:01.113000Z",
"spacegroup": 186
},
{
"id": "mp-1006278",
"created_at": "2022-09-04T14:39:29.463171Z",
"structure_string": "Ac1 Eu1 Au2\n1.0\n0.000000 3.882859 3.882859\n3.882859 0.000000 3.882859\n3.882859 3.882859 0.000000\nAc Eu Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Eu\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"Eu",
"Au"
],
"chemical_system": "Ac-Au-Eu",
"density": 10.961902643311035,
"density_atomic": 0.03416450520651206,
"volume": 117.08057751228792,
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"formula_full": "Ac1 Eu1 Au2",
"formula_reduced": "AcEuAu2",
"formula_anonymous": "ABC2",
"energy": -24.07651987,
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"updated_at": "2021-11-28T01:34:29.885000Z",
"spacegroup": 225
},
{
"id": "mp-1006277",
"created_at": "2022-09-04T14:43:08.299260Z",
"structure_string": "Ce2 Ga8 Co18\n1.0\n-3.980492 3.980492 5.830224\n3.980492 -3.980492 5.830224\n3.980492 3.980492 -5.830224\nCe Ga Co\n2 8 18\ndirect\n0.750000 0.750000 0.000000 Ce\n0.250000 0.250000 0.000000 Ce\n0.804929 0.304928 0.861446 Ga\n0.443482 0.943483 0.138555 Ga\n0.695073 0.556518 0.500000 Ga\n0.056517 0.195072 0.500000 Ga\n0.195073 0.695073 0.138555 Ga\n0.556517 0.056517 0.861446 Ga\n0.943483 0.804928 0.500000 Ga\n0.304928 0.443483 0.500000 Ga\n0.200812 0.061604 0.262415 Co\n0.799186 0.938397 0.737586 Co\n0.299187 0.561603 0.860790 Co\n0.700811 0.438396 0.139209 Co\n0.438398 0.299187 0.737586 Co\n0.561603 0.700811 0.262415 Co\n0.938397 0.200812 0.139211 Co\n0.061604 0.799187 0.860791 Co\n0.499999 0.000000 0.499999 Co\n0.000000 0.499999 0.499999 Co\n0.288650 0.788649 0.726669 Co\n0.061980 0.561981 0.273332 Co\n0.211351 0.938020 0.499999 Co\n0.438021 0.711352 0.500002 Co\n0.711352 0.211351 0.273332 Co\n0.938020 0.438021 0.726669 Co\n0.561981 0.288650 0.500002 Co\n0.788649 0.061980 0.499999 Co\n",
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"Ga",
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"density": 8.533214594782697,
"density_atomic": 0.07577732814841517,
"volume": 369.50365873497213,
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"formula_full": "Ce2 Ga8 Co18",
"formula_reduced": "CeGa4Co9",
"formula_anonymous": "AB4C9",
"energy": -170.49228617,
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"updated_at": "2021-11-28T01:36:02.345000Z",
"spacegroup": 140
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{
"id": "mp-1006258",
"created_at": "2022-09-04T14:39:14.569782Z",
"structure_string": "Er2 Pu6\n1.0\n3.422479 -5.927908 0.000000\n3.422479 5.927908 0.000000\n0.000000 0.000000 5.498162\nEr Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.164005 0.328011 0.250000 Pu\n0.671989 0.835995 0.250000 Pu\n0.164005 0.835995 0.250000 Pu\n0.835995 0.671989 0.750000 Pu\n0.328011 0.164005 0.750000 Pu\n0.835995 0.164005 0.750000 Pu\n",
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{
"id": "mp-1006256",
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"formula_full": "Ce1 Y1 Tl2",
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{
"id": "mp-1006246",
"created_at": "2022-09-04T14:47:36.890896Z",
"structure_string": "Ce1 Sm3\n1.0\n5.075379 0.000000 0.000000\n0.000000 5.075379 0.000000\n0.000000 0.000000 5.075379\nCe Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n",
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},
{
"id": "mp-1006245",
"created_at": "2022-09-04T14:43:19.106818Z",
"structure_string": "Er1 Np3\n1.0\n4.691813 0.000000 0.000000\n0.000000 4.691813 0.000000\n0.000000 0.000000 4.691813\nEr Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.500000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n0.500000 0.000000 0.500000 Np\n",
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{
"id": "mp-1006242",
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"structure_string": "Eu2 In2 Ni10\n1.0\n9.996593 -2.445893 0.000000\n9.996593 2.445893 0.000000\n9.398149 0.000000 4.193929\nEu In Ni\n2 2 10\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.110624 0.110624 0.110624 In\n0.889376 0.889376 0.889376 In\n0.333829 0.333829 0.333829 Ni\n0.566911 0.566911 0.069305 Ni\n0.069305 0.566911 0.566911 Ni\n0.566911 0.069305 0.566911 Ni\n0.800962 0.800962 0.800962 Ni\n0.199038 0.199038 0.199038 Ni\n0.433089 0.930695 0.433089 Ni\n0.930695 0.433089 0.433089 Ni\n0.433089 0.433089 0.930695 Ni\n0.666171 0.666171 0.666171 Ni\n",
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]
}