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{
"id": "mp-1006277",
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"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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{
"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",
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"updated_at": "2021-11-28T01:34:29.885000Z",
"spacegroup": 225
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{
"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",
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"density": 7.470640795892753,
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"formula_full": "Nd14 Co6",
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"spacegroup": 186
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{
"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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"density": 9.133221368103056,
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"volume": 196.160925312498,
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"formula_anonymous": "A2B3C4",
"energy": -40.99244253,
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{
"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",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:01.763000Z",
"spacegroup": 122
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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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"formula_full": "Ce2 Cu4 Sb4",
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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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"density": 7.206671272998007,
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"volume": 187.4395638051384,
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"formula_full": "Ce2 Fe8 B8",
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"updated_at": "2021-11-28T01:36:04.730000Z",
"spacegroup": 86
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{
"id": "mp-1006323",
"created_at": "2022-09-04T14:41:09.872958Z",
"structure_string": "Ce2 Lu6\n1.0\n3.500176 -6.062483 0.000000\n3.500176 6.062483 0.000000\n0.000000 0.000000 5.573336\nCe Lu\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.166960 0.333920 0.250000 Lu\n0.666080 0.833040 0.250000 Lu\n0.166960 0.833040 0.250000 Lu\n0.833040 0.666080 0.750000 Lu\n0.333920 0.166960 0.750000 Lu\n0.833040 0.166960 0.750000 Lu\n",
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{
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{
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"created_at": "2022-09-04T14:41:10.122412Z",
"structure_string": "Li8 Ce8 Sn8\n1.0\n4.776611 -8.273333 0.000000\n4.776611 8.273333 0.000000\n0.000000 0.000000 7.528982\nLi Ce Sn\n8 8 8\ndirect\n0.333709 0.166855 0.712937 Li\n0.833145 0.166855 0.712937 Li\n0.166855 0.833145 0.212937 Li\n0.666291 0.833145 0.212937 Li\n0.833145 0.666291 0.712937 Li\n0.166855 0.333709 0.212937 Li\n0.666667 0.333333 0.329893 Li\n0.333333 0.666667 0.829893 Li\n0.000000 0.000000 0.502632 Ce\n0.000000 0.000000 0.002632 Ce\n0.023894 0.511947 0.504764 Ce\n0.488053 0.511947 0.504764 Ce\n0.511947 0.488053 0.004764 Ce\n0.976106 0.488053 0.004764 Ce\n0.488053 0.976106 0.504764 Ce\n0.511947 0.023894 0.004764 Ce\n0.333516 0.166758 0.271216 Sn\n0.833242 0.166758 0.271216 Sn\n0.166758 0.833242 0.771216 Sn\n0.666484 0.833242 0.771216 Sn\n0.833242 0.666484 0.271216 Sn\n0.166758 0.333516 0.771216 Sn\n0.666667 0.333333 0.729733 Sn\n0.333333 0.666667 0.229733 Sn\n",
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{
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"structure_string": "Ce3 Cu1\n1.0\n4.586055 0.000000 0.000000\n0.000000 4.586055 0.000000\n0.000000 0.000000 4.586055\nCe Cu\n3 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Cu\n",
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{
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"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7902932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.170000Z",
"spacegroup": 194
}
]
}