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{
"id": "mp-1113839",
"created_at": "2022-09-04T14:44:08.334683Z",
"structure_string": "Na2 Li1 Dy1 Cl6\n1.0\n0.000000 5.136254 5.136254\n5.136254 0.000000 5.136254\n5.136254 5.136254 0.000000\nNa Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.745645 0.254355 0.254355 Cl\n0.254355 0.254355 0.745645 Cl\n0.254355 0.745645 0.745645 Cl\n0.254355 0.745645 0.254355 Cl\n0.745645 0.254355 0.745645 Cl\n0.745645 0.745645 0.254355 Cl\n",
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{
"id": "mp-1113833",
"created_at": "2022-09-04T14:42:48.827873Z",
"structure_string": "Rb3 Fe1 F6\n1.0\n0.000000 4.630765 4.630765\n4.630765 0.000000 4.630765\n4.630765 4.630765 0.000000\nRb Fe F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Fe\n0.788035 0.211965 0.211965 F\n0.211965 0.788035 0.788035 F\n0.211965 0.788035 0.211965 F\n0.788035 0.211965 0.788035 F\n0.211965 0.211965 0.788035 F\n0.788035 0.788035 0.211965 F\n",
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"formula_full": "Rb3 Fe1 F6",
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"formula_anonymous": "AB3C6",
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},
{
"id": "mp-1113832",
"created_at": "2022-09-04T14:41:37.021345Z",
"structure_string": "Rb3 Au1 F6\n1.0\n0.000000 4.777670 4.777670\n4.777670 0.000000 4.777670\n4.777670 4.777670 0.000000\nRb Au F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.224756 0.224756 0.775244 F\n0.224756 0.775244 0.775244 F\n0.775244 0.775244 0.224756 F\n0.224756 0.775244 0.224756 F\n0.775244 0.224756 0.775244 F\n0.775244 0.224756 0.224756 F\n",
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"elements": [
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],
"chemical_system": "Au-F-Rb",
"density": 4.319462076719942,
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"volume": 218.11143904355328,
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"formula_full": "Rb3 Au1 F6",
"formula_reduced": "Rb3AuF6",
"formula_anonymous": "AB3C6",
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"updated_at": "2021-11-28T01:35:30.122000Z",
"spacegroup": 225
},
{
"id": "mp-1113831",
"created_at": "2022-09-04T14:42:47.748535Z",
"structure_string": "Rb3 Ir1 F6\n1.0\n0.000000 4.666633 4.666633\n4.666633 0.000000 4.666633\n4.666633 4.666633 0.000000\nRb Ir F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ir\n0.218288 0.218288 0.781712 F\n0.218288 0.781712 0.781712 F\n0.781712 0.781712 0.218288 F\n0.218288 0.781712 0.218288 F\n0.781712 0.218288 0.781712 F\n0.781712 0.218288 0.218288 F\n",
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],
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"density": 4.596383298025991,
"density_atomic": 0.049199315534938774,
"volume": 203.2548601798845,
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"formula_full": "Rb3 Ir1 F6",
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"formula_anonymous": "AB3C6",
"energy": -48.31950028,
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"spacegroup": 225
},
{
"id": "mp-1113830",
"created_at": "2022-09-04T14:44:26.615400Z",
"structure_string": "Rb3 In1 F6\n1.0\n0.000000 4.760450 4.760450\n4.760450 0.000000 4.760450\n4.760450 4.760450 0.000000\nRb In F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.778778 0.221222 0.221222 F\n0.221222 0.221222 0.778778 F\n0.221222 0.778778 0.778778 F\n0.221222 0.778778 0.221222 F\n0.778778 0.221222 0.778778 F\n0.778778 0.778778 0.221222 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "F-In-Rb",
"density": 3.7342763050538568,
"density_atomic": 0.04634746447565208,
"volume": 215.7615333035822,
"volume_molar": 12.993463241475999,
"formula_full": "Rb3 In1 F6",
"formula_reduced": "Rb3InF6",
"formula_anonymous": "AB3C6",
"energy": -46.73061131,
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"updated_at": "2021-11-28T01:36:36.518000Z",
"spacegroup": 225
},
{
"id": "mp-1113829",
"created_at": "2022-09-04T14:41:36.439017Z",
"structure_string": "Rb3 Mo1 F6\n1.0\n6.684186 0.000000 0.000000\n3.342093 5.788675 0.000000\n3.342093 1.929558 5.457615\nRb Mo F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mo\n0.219644 0.780356 0.219644 F\n0.780356 0.780356 0.219644 F\n0.780356 0.219644 0.780356 F\n0.780356 0.219644 0.219644 F\n0.219644 0.780356 0.780356 F\n0.219644 0.219644 0.780356 F\n",
"nsites": 10,
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"elements": [
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"Mo",
"F"
],
"chemical_system": "F-Mo-Rb",
"density": 3.667038084432127,
"density_atomic": 0.04735538924079515,
"volume": 211.16920714454437,
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"formula_full": "Rb3 Mo1 F6",
"formula_reduced": "Rb3MoF6",
"formula_anonymous": "AB3C6",
"energy": -54.54042544000001,
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"updated_at": "2021-11-28T01:35:31.142000Z",
"spacegroup": 225
},
{
"id": "mp-1113828",
"created_at": "2022-09-04T14:46:12.507583Z",
"structure_string": "Rb3 Mn1 F6\n1.0\n6.527227 0.000000 0.000000\n3.263614 5.652744 0.000000\n3.263614 1.884248 5.329458\nRb Mn F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mn\n0.212395 0.787605 0.212395 F\n0.787605 0.787605 0.212395 F\n0.787605 0.212395 0.787605 F\n0.787605 0.212395 0.212395 F\n0.212395 0.787605 0.787605 F\n0.212395 0.212395 0.787605 F\n",
"nsites": 10,
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],
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"density": 3.5917486628774045,
"density_atomic": 0.05085444531777074,
"volume": 196.63964354568563,
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"formula_full": "Rb3 Mn1 F6",
"formula_reduced": "Rb3MnF6",
"formula_anonymous": "AB3C6",
"energy": -52.55013703,
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"updated_at": "2021-11-28T01:37:24.235000Z",
"spacegroup": 225
},
{
"id": "mp-1113827",
"created_at": "2022-09-04T14:39:28.259730Z",
"structure_string": "Rb3 Pd1 F6\n1.0\n0.000000 4.689079 4.689079\n4.689079 0.000000 4.689079\n4.689079 4.689079 0.000000\nRb Pd F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pd\n0.780294 0.219706 0.219706 F\n0.219706 0.219706 0.780294 F\n0.219706 0.780294 0.780294 F\n0.219706 0.780294 0.219706 F\n0.780294 0.219706 0.780294 F\n0.780294 0.780294 0.219706 F\n",
"nsites": 10,
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],
"chemical_system": "F-Pd-Rb",
"density": 3.8397706676035392,
"density_atomic": 0.04849616039488043,
"volume": 206.20189141933935,
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"formula_full": "Rb3 Pd1 F6",
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"updated_at": "2021-11-28T01:34:27.605000Z",
"spacegroup": 225
},
{
"id": "mp-1113826",
"created_at": "2022-09-04T14:39:10.274481Z",
"structure_string": "Rb3 Nb1 F6\n1.0\n0.000000 4.768194 4.768194\n4.768194 0.000000 4.768194\n4.768194 4.768194 0.000000\nRb Nb F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nb\n0.778741 0.221259 0.221259 F\n0.221259 0.221259 0.778741 F\n0.221259 0.778741 0.778741 F\n0.221259 0.778741 0.221259 F\n0.778741 0.221259 0.778741 F\n0.778741 0.778741 0.221259 F\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Rb3 Nb1 F6",
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{
"id": "mp-1113825",
"created_at": "2022-09-04T14:40:54.134122Z",
"structure_string": "Rb3 Ru1 F6\n1.0\n0.000000 4.663965 4.663965\n4.663965 0.000000 4.663965\n4.663965 4.663965 0.000000\nRb Ru F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ru\n0.782797 0.217203 0.217203 F\n0.217203 0.217203 0.782797 F\n0.217203 0.782797 0.782797 F\n0.217203 0.782797 0.217203 F\n0.782797 0.217203 0.782797 F\n0.782797 0.782797 0.217203 F\n",
"nsites": 10,
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"formula_full": "Rb3 Ru1 F6",
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"formula_anonymous": "AB3C6",
"energy": -49.48383749999999,
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"spacegroup": 225
},
{
"id": "mp-1113824",
"created_at": "2022-09-04T14:39:38.332617Z",
"structure_string": "Rb3 Rh1 F6\n1.0\n0.000000 4.652176 4.652176\n4.652176 0.000000 4.652176\n4.652176 4.652176 0.000000\nRb Rh F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rh\n0.783403 0.216597 0.216597 F\n0.216597 0.216597 0.783403 F\n0.216597 0.783403 0.783403 F\n0.216597 0.783403 0.216597 F\n0.783403 0.216597 0.783403 F\n0.783403 0.783403 0.216597 F\n",
"nsites": 10,
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"density": 3.9028923447120785,
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"formula_full": "Rb3 Rh1 F6",
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"formula_anonymous": "AB3C6",
"energy": -47.73773793,
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"spacegroup": 225
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{
"id": "mp-1113823",
"created_at": "2022-09-04T14:41:25.096864Z",
"structure_string": "Rb3 Ta1 F6\n1.0\n0.000000 4.770823 4.770823\n4.770823 0.000000 4.770823\n4.770823 4.770823 0.000000\nRb Ta F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ta\n0.781673 0.218327 0.218327 F\n0.218327 0.218327 0.781673 F\n0.218327 0.781673 0.781673 F\n0.218327 0.781673 0.218327 F\n0.781673 0.218327 0.781673 F\n0.781673 0.781673 0.218327 F\n",
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"formula_full": "Rb3 Ta1 F6",
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"energy": -55.25835008,
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}
]
}