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{
"id": "jvasp-86872",
"created_at": "2022-09-04T14:36:19.189599Z",
"updated_at": "2022-09-04T14:36:19.189624Z",
"structure_string": "Ce6 Sb6 Au4\n1.0\n4.634482 0.000000 0.000000\n-2.317241 4.013578 -0.000000\n-0.000000 -0.000000 23.718637\nCe Sb Au\n6 6 4\ndirect\n0.666667 0.333333 0.925672 Ce\n0.333333 0.666667 0.074328 Ce\n0.333333 0.666667 0.425672 Ce\n0.666667 0.333333 0.574328 Ce\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.651523 Sb\n0.000000 0.000000 0.500000 Sb\n0.666667 0.333333 0.348477 Sb\n0.333333 0.666667 0.848477 Sb\n0.666667 0.333333 0.151523 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.812439 Au\n0.000000 0.000000 0.187561 Au\n0.000000 0.000000 0.312439 Au\n0.000000 0.000000 0.687561 Au\n",
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{
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"structure_string": "Ce6 Sb6 Au4\n1.0\n4.634376 -0.000000 0.000000\n-2.317188 4.013487 0.000000\n0.000000 -0.000000 23.728182\nCe Sb Au\n6 6 4\ndirect\n0.666668 0.333333 0.925673 Ce\n0.333333 0.666667 0.074327 Ce\n0.333333 0.666667 0.425673 Ce\n0.666668 0.333333 0.574327 Ce\n0.333333 0.666667 0.250000 Ce\n0.666668 0.333333 0.750000 Ce\n0.333333 0.666667 0.651523 Sb\n0.000000 0.000000 0.500000 Sb\n0.666668 0.333333 0.348477 Sb\n0.333333 0.666667 0.848477 Sb\n0.666668 0.333333 0.151523 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.812429 Au\n0.000000 0.000000 0.187571 Au\n0.000000 0.000000 0.312429 Au\n0.000000 0.000000 0.687571 Au\n",
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"formula_full": "Ce6 Sb6 Au4",
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{
"id": "jvasp-109780",
"created_at": "2022-09-04T14:38:28.181643Z",
"updated_at": "2022-09-04T14:38:28.181663Z",
"structure_string": "Ce3 Sb1 As2\n1.0\n5.607432 -0.005805 -5.007325\n-0.557905 4.093743 -6.280656\n0.004507 0.005805 7.517750\nCe Sb As\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.676931 0.676930 -0.000002 Ce\n0.323068 0.323068 -0.000001 Ce\n0.500000 -0.000000 0.500000 Sb\n0.163746 0.663747 0.499999 As\n0.836253 0.336253 0.499999 As\n",
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"elements": [
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"density_atomic": 0.0347098260199503,
"volume": 172.86171346843852,
"volume_molar": 17.34995950869541,
"formula_full": "Ce3 Sb1 As2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 71
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{
"id": "jvasp-109269",
"created_at": "2022-09-04T14:38:06.067624Z",
"updated_at": "2022-09-04T14:38:06.067649Z",
"structure_string": "Ce6 Sc2\n1.0\n6.711483 -0.000000 0.000000\n-3.355740 5.812315 0.000000\n-0.000000 -0.000000 5.577130\nCe Sc\n6 2\ndirect\n0.175249 0.350498 0.250000 Ce\n0.649503 0.824751 0.250000 Ce\n0.175250 0.824751 0.250000 Ce\n0.824751 0.649503 0.750000 Ce\n0.350497 0.175249 0.750000 Ce\n0.824750 0.175249 0.750000 Ce\n0.333334 0.666667 0.750000 Sc\n0.666667 0.333334 0.250000 Sc\n",
"nsites": 8,
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"elements": [
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"volume": 217.5596769303404,
"volume_molar": 16.377187477182932,
"formula_full": "Ce6 Sc2",
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{
"id": "jvasp-116711",
"created_at": "2022-09-04T14:38:51.227218Z",
"updated_at": "2022-09-04T14:38:51.227243Z",
"structure_string": "Ce9 Se6 N3 O3\n1.0\n12.395878 0.005059 1.153687\n11.745273 3.963128 1.153687\n-0.007940 -0.001305 9.342250\nCe Se N O\n9 6 3 3\ndirect\n0.461716 0.461715 0.678889 Ce\n0.539075 0.539075 0.320461 Ce\n0.090046 0.090045 0.649246 Ce\n0.907699 0.907700 0.351036 Ce\n0.187626 0.187626 0.008060 Ce\n0.812725 0.812724 0.991808 Ce\n0.000355 0.000352 0.995154 Ce\n0.280136 0.280134 0.662312 Ce\n0.719771 0.719772 0.338103 Ce\n0.689397 0.689397 0.676168 Se\n0.310429 0.310429 0.326359 Se\n0.588826 0.588825 0.974200 Se\n0.867359 0.867359 0.671203 Se\n0.132321 0.132320 0.327053 Se\n0.411945 0.411946 0.034571 Se\n0.277029 0.277027 0.900181 N\n0.723691 0.723692 0.100355 N\n0.001327 0.001325 0.755821 N\n0.552596 0.552595 0.563234 O\n0.447397 0.447397 0.429073 O\n0.998538 0.998539 0.246720 O\n",
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"elements": [
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"N",
"O"
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"chemical_system": "Ce-N-O-Se",
"density": 6.609873185013887,
"density_atomic": 0.04580814918432559,
"volume": 458.433714828751,
"volume_molar": 13.146439808706848,
"formula_full": "Ce9 Se6 N3 O3",
"formula_reduced": "Ce3Se2NO",
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{
"id": "jvasp-98036",
"created_at": "2022-09-04T14:35:41.862993Z",
"updated_at": "2022-09-04T14:35:41.863019Z",
"structure_string": "Ce3 Si8 Ni2\n1.0\n4.086275 0.000000 -0.643110\n0.000000 4.238032 0.000000\n-0.028258 0.000000 13.123958\nCe Si Ni\n3 8 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.687747 0.500000 0.375495 Ce\n0.312252 0.500000 0.624505 Ce\n0.595315 0.000000 0.190632 Si\n0.404683 0.000000 0.809368 Si\n0.775920 0.000000 0.551843 Si\n0.224078 0.000000 0.448157 Si\n0.902958 0.500000 0.805920 Si\n0.097040 0.500000 0.194080 Si\n0.545733 0.500000 0.091468 Si\n0.454265 0.500000 0.908532 Si\n0.866484 0.000000 0.732972 Ni\n0.133514 0.000000 0.267028 Ni\n",
"nsites": 13,
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"elements": [
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"Ni"
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"chemical_system": "Ce-Ni-Si",
"density": 5.572283897625289,
"density_atomic": 0.0572181606711571,
"volume": 227.2005923908198,
"volume_molar": 10.524876524099243,
"formula_full": "Ce3 Si8 Ni2",
"formula_reduced": "Ce3(Si4Ni)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.1388777,
"spacegroup": 65
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{
"id": "jvasp-121960",
"created_at": "2022-09-04T14:38:53.063142Z",
"updated_at": "2022-09-04T14:38:53.063161Z",
"structure_string": "Ce3 Si4 Pd4\n1.0\n4.185951 0.020951 -12.072306\n-0.106105 4.049491 -12.118315\n-0.005057 -0.020951 12.777430\nCe Si Pd\n3 4 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.645796 0.145796 0.499999 Ce\n0.354203 0.854204 0.499999 Ce\n0.804466 0.304467 0.499999 Si\n0.195532 0.695533 0.499999 Si\n0.547762 0.547763 -0.000001 Si\n0.452236 0.452237 -0.000001 Si\n0.902978 0.402979 0.499999 Pd\n0.097020 0.597021 0.499999 Pd\n0.750128 0.750129 -0.000001 Pd\n0.249871 0.249871 -0.000000 Pd\n",
"nsites": 11,
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"elements": [
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"density": 7.392190909152567,
"density_atomic": 0.051095605679020106,
"volume": 215.28270100371094,
"volume_molar": 11.786024805794005,
"formula_full": "Ce3 Si4 Pd4",
"formula_reduced": "Ce3(SiPd)4",
"formula_anonymous": "A3B4C4",
"energy_above_hull": 2.7502667,
"spacegroup": 71
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{
"id": "jvasp-86268",
"created_at": "2022-09-04T14:35:52.905467Z",
"updated_at": "2022-09-04T14:35:52.905488Z",
"structure_string": "Ce6 Si2 Pt10\n1.0\n6.520493 0.000000 -3.224329\n-1.673187 6.511273 -3.383652\n0.088961 0.030526 8.385195\nCe Si Pt\n6 2 10\ndirect\n0.548609 0.271373 0.097219 Ce\n0.249999 0.879902 0.500000 Ce\n0.451390 0.728628 0.902782 Ce\n0.750000 0.120098 0.500000 Ce\n0.951390 0.674154 0.902781 Ce\n0.048609 0.325846 0.097219 Ce\n0.250000 0.278523 0.500000 Si\n0.749999 0.721477 0.500000 Si\n0.310479 0.041915 0.208567 Pt\n0.810479 0.666651 0.208567 Pt\n0.601913 0.333349 0.791434 Pt\n0.689520 0.958085 0.791434 Pt\n0.898086 0.041915 0.208567 Pt\n0.189521 0.333349 0.791434 Pt\n0.101913 0.958085 0.791434 Pt\n-0.000000 0.500000 0.500000 Pt\n0.398086 0.666651 0.208567 Pt\n0.500000 0.500000 0.500000 Pt\n",
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{
"id": "jvasp-86870",
"created_at": "2022-09-04T14:36:14.591126Z",
"updated_at": "2022-09-04T14:36:14.591155Z",
"structure_string": "Ce6 Si2 Pt10\n1.0\n6.520392 0.000000 -3.224280\n-1.673354 6.511922 -3.383988\n0.089144 0.030266 8.385438\nCe Si Pt\n6 2 10\ndirect\n0.548624 0.271399 0.097250 Ce\n0.250000 0.879911 0.500000 Ce\n0.451375 0.728601 0.902750 Ce\n0.750000 0.120090 0.500000 Ce\n0.951375 0.674150 0.902750 Ce\n0.048625 0.325851 0.097250 Ce\n0.250000 0.278510 0.500000 Si\n0.750000 0.721490 0.500000 Si\n0.310471 0.041900 0.208556 Pt\n0.810471 0.666656 0.208556 Pt\n0.601916 0.333344 0.791444 Pt\n0.689529 0.958101 0.791444 Pt\n0.898083 0.041900 0.208556 Pt\n0.189528 0.333344 0.791444 Pt\n0.101917 0.958101 0.791444 Pt\n0.000000 0.500000 0.500000 Pt\n0.398083 0.666656 0.208556 Pt\n0.500000 0.500000 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:36:56.054476Z",
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"structure_string": "Ce3 Si1 S2\n1.0\n5.299890 -0.007020 -4.749220\n-0.537507 3.909960 -5.921763\n0.004325 0.007020 7.116453\nCe Si S\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.669629 0.669629 0.000000 Ce\n0.330371 0.330371 0.000000 Ce\n0.500000 0.000000 0.500000 Si\n0.165365 0.665365 0.500000 S\n0.834636 0.334635 0.500000 S\n",
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{
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"created_at": "2022-09-04T14:37:50.187268Z",
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"structure_string": "Ce3 Sm1\n1.0\n4.409079 -0.018187 -4.005618\n-0.875584 4.321303 -4.005618\n0.014935 0.018187 5.956906\nCe Sm\n3 1\ndirect\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.499999 -0.000000 Ce\n0.000000 0.000000 0.000000 Sm\n",
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{
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"created_at": "2022-09-04T14:37:31.496142Z",
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"structure_string": "Ce3 Sn1\n1.0\n4.764938 -0.000000 -0.000000\n-0.000000 4.764938 -0.000000\n0.000000 0.000000 4.764938\nCe Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Ce3 Sn1",
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]
}