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{
"id": "mp-1518",
"created_at": "2022-09-04T14:40:21.449460Z",
"structure_string": "Ce1 Rh3\n1.0\n4.070753 0.000000 0.000000\n0.000000 4.070753 0.000000\n0.000000 0.000000 4.070753\nCe Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
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{
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"structure_string": "Na1 Al1 O3\n1.0\n3.754380 0.000000 0.000000\n0.000000 3.754380 0.000000\n0.000000 0.000000 3.754380\nNa Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "mp-1186956",
"created_at": "2022-09-04T14:39:27.048036Z",
"structure_string": "Sc2 Pt1 Rh1\n1.0\n0.000000 3.271447 3.271447\n3.271447 0.000000 3.271447\n3.271447 3.271447 0.000000\nSc Pt Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Rh\n",
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"formula_full": "Sc2 Pt1 Rh1",
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"updated_at": "2021-11-28T01:34:32.070000Z",
"spacegroup": 225
},
{
"id": "mp-16566",
"created_at": "2022-09-04T14:39:12.199684Z",
"structure_string": "Cu2 Sn1 Hg1 Se4\n1.0\n-2.964795 2.964795 5.808206\n2.964795 -2.964795 5.808206\n2.964795 2.964795 -5.808206\nCu Sn Hg Se\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.399884 0.399884 0.514520 Se\n0.885364 0.885364 0.485480 Se\n0.600116 0.114636 0.000000 Se\n0.114636 0.600116 0.000000 Se\n",
"nsites": 8,
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"elements": [
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"Hg",
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"density": 6.197905257927689,
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"volume": 204.21674116326383,
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"formula_full": "Cu2 Sn1 Hg1 Se4",
"formula_reduced": "Cu2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy": -30.55862807,
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"updated_at": "2021-11-28T01:34:36.655000Z",
"spacegroup": 121
},
{
"id": "mp-4323",
"created_at": "2022-09-04T14:40:28.427890Z",
"structure_string": "Nd1 Si2 Pd2\n1.0\n-2.119954 2.119954 4.997085\n2.119954 -2.119954 4.997085\n2.119954 2.119954 -4.997085\nNd Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.619013 0.619013 0.000000 Si\n0.380987 0.380987 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
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"formula_full": "Nd1 Si2 Pd2",
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"updated_at": "2021-11-28T01:34:51.541000Z",
"spacegroup": 139
},
{
"id": "mp-1207315",
"created_at": "2022-09-04T14:43:01.710849Z",
"structure_string": "Ce2 Sb4 Pd2\n1.0\n5.303299 0.000000 0.000000\n0.000000 5.303299 0.000000\n0.000000 0.000000 20.637679\nCe Sb Pd\n2 4 2\ndirect\n0.500000 0.500000 0.767104 Ce\n0.500000 0.500000 0.232896 Ce\n0.500000 0.500000 0.368462 Sb\n0.500000 0.500000 0.631538 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.121967 Pd\n0.500000 0.500000 0.878033 Pd\n",
"nsites": 8,
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"elements": [
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"Pd"
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"density": 2.8039594208470127,
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"volume": 580.4343149701589,
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"formula_full": "Ce2 Sb4 Pd2",
"formula_reduced": "CeSb2Pd",
"formula_anonymous": "ABC2",
"energy": -30.55755618,
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"updated_at": "2021-11-28T01:36:02.042000Z",
"spacegroup": 123
},
{
"id": "mp-1186447",
"created_at": "2022-09-04T14:47:09.555602Z",
"structure_string": "Pd2 Au6\n1.0\n2.888683 -5.003346 0.000000\n2.888683 5.003346 0.000000\n0.000000 0.000000 4.821428\nPd Au\n2 6\ndirect\n0.666667 0.333333 0.250000 Pd\n0.333333 0.666667 0.750000 Pd\n0.832009 0.167991 0.750000 Au\n0.335981 0.167991 0.750000 Au\n0.832009 0.664019 0.750000 Au\n0.167991 0.832009 0.250000 Au\n0.664019 0.832009 0.250000 Au\n0.167991 0.335981 0.250000 Au\n",
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"density": 16.616705703314803,
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"volume": 139.36897433918867,
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"formula_full": "Pd2 Au6",
"formula_reduced": "PdAu3",
"formula_anonymous": "AB3",
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"energy_per_atom": -3.81946969875,
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"updated_at": "2021-11-28T01:37:54.531000Z",
"spacegroup": 194
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{
"id": "mp-1111161",
"created_at": "2022-09-04T14:43:14.490632Z",
"structure_string": "K3 Tl1 Br6\n1.0\n0.000000 5.892055 5.892055\n5.892055 0.000000 5.892055\n5.892055 5.892055 0.000000\nK Tl Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n0.764635 0.235365 0.235365 Br\n0.235365 0.235365 0.764635 Br\n0.235365 0.764635 0.764635 Br\n0.235365 0.764635 0.235365 Br\n0.764635 0.235365 0.764635 Br\n0.764635 0.764635 0.235365 Br\n",
"nsites": 10,
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"elements": [
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"Tl",
"Br"
],
"chemical_system": "Br-K-Tl",
"density": 3.2516713890604256,
"density_atomic": 0.024443851005469384,
"volume": 409.1008408520601,
"volume_molar": 24.63662848645464,
"formula_full": "K3 Tl1 Br6",
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"formula_anonymous": "AB3C6",
"energy": -30.55525453,
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"updated_at": "2021-11-28T01:36:09.082000Z",
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{
"id": "mp-984554",
"created_at": "2022-09-04T14:40:58.444800Z",
"structure_string": "B1 Pb1 O3\n1.0\n3.565976 0.000000 0.000000\n0.000000 3.565976 0.000000\n0.000000 0.000000 3.565976\nB Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"density": 9.741156187118827,
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"volume": 45.34560992453003,
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{
"id": "mp-866089",
"created_at": "2022-09-04T14:43:05.511862Z",
"structure_string": "Gd1 Sn1 Rh2\n1.0\n0.000000 3.355476 3.355476\n3.355476 0.000000 3.355476\n3.355476 3.355476 0.000000\nGd Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
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"volume": 75.56007951859057,
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{
"id": "mp-1224639",
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{
"id": "mp-505212",
"created_at": "2022-09-04T14:42:54.214227Z",
"structure_string": "Cs6 Au2 O2\n1.0\n4.049081 -7.013214 0.000000\n4.049081 7.013214 0.000000\n0.000000 0.000000 7.187854\nCs Au O\n6 2 2\ndirect\n0.157959 0.315917 0.250000 Cs\n0.842041 0.157959 0.750000 Cs\n0.315917 0.157959 0.750000 Cs\n0.684083 0.842041 0.250000 Cs\n0.157959 0.842041 0.250000 Cs\n0.842041 0.684083 0.750000 Cs\n0.666667 0.333333 0.250000 Au\n0.333333 0.666667 0.750000 Au\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"volume": 408.2280087489631,
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"formula_full": "Cs6 Au2 O2",
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"formula_anonymous": "ABC3",
"energy": -30.553040600000003,
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}
]
}