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{
"id": "mp-1113741",
"created_at": "2022-09-04T14:39:19.828689Z",
"structure_string": "Na2 Li1 Sm1 Cl6\n1.0\n0.000000 5.197448 5.197448\n5.197448 0.000000 5.197448\n5.197448 5.197448 0.000000\nNa Li Sm 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 Sm\n0.742909 0.257091 0.257091 Cl\n0.257091 0.257091 0.742909 Cl\n0.257091 0.742909 0.742909 Cl\n0.257091 0.742909 0.257091 Cl\n0.742909 0.257091 0.742909 Cl\n0.742909 0.742909 0.257091 Cl\n",
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{
"id": "mp-1113740",
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"structure_string": "Na2 Li1 Pr1 Cl6\n1.0\n0.000000 5.254130 5.254130\n5.254130 0.000000 5.254130\n5.254130 5.254130 0.000000\nNa Li Pr 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 Pr\n0.740538 0.259462 0.259462 Cl\n0.259462 0.259462 0.740538 Cl\n0.259462 0.740538 0.740538 Cl\n0.259462 0.740538 0.259462 Cl\n0.740538 0.259462 0.740538 Cl\n0.740538 0.740538 0.259462 Cl\n",
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"formula_full": "Na2 Li1 Pr1 Cl6",
"formula_reduced": "Na2LiPrCl6",
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"updated_at": "2021-11-28T01:34:38.761000Z",
"spacegroup": 225
},
{
"id": "mp-1113739",
"created_at": "2022-09-04T14:41:05.879371Z",
"structure_string": "Na2 Li1 Nd1 Cl6\n1.0\n0.000000 5.232963 5.232963\n5.232963 0.000000 5.232963\n5.232963 5.232963 0.000000\nNa Li Nd 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 Nd\n0.741422 0.258578 0.258578 Cl\n0.258578 0.258578 0.741422 Cl\n0.258578 0.741422 0.741422 Cl\n0.258578 0.741422 0.258578 Cl\n0.741422 0.258578 0.741422 Cl\n0.741422 0.741422 0.258578 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 286.59788940482576,
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"formula_full": "Na2 Li1 Nd1 Cl6",
"formula_reduced": "Na2LiNdCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:11.125000Z",
"spacegroup": 225
},
{
"id": "mp-1113736",
"created_at": "2022-09-04T14:40:26.831469Z",
"structure_string": "Rb2 Li1 Co1 F6\n1.0\n5.825225 0.000000 0.000000\n2.912612 5.044792 0.000000\n2.912612 1.681597 4.756276\nRb Li Co F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.230023 0.769977 0.230023 F\n0.769977 0.769977 0.230023 F\n0.769977 0.230023 0.769977 F\n0.769977 0.230023 0.230023 F\n0.230023 0.769977 0.769977 F\n0.230023 0.230023 0.769977 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Co-F-Li-Rb",
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"density_atomic": 0.07154462018160992,
"volume": 139.7729133876992,
"volume_molar": 8.417321588560132,
"formula_full": "Rb2 Li1 Co1 F6",
"formula_reduced": "Rb2LiCoF6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:34:57.261000Z",
"spacegroup": 225
},
{
"id": "mp-1113735",
"created_at": "2022-09-04T14:48:22.450413Z",
"structure_string": "Rb2 Li1 Au1 F6\n1.0\n0.000000 4.294885 4.294885\n4.294885 0.000000 4.294885\n4.294885 4.294885 0.000000\nRb Li Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.748216 0.251784 0.251784 F\n0.251784 0.251784 0.748216 F\n0.251784 0.748216 0.748216 F\n0.251784 0.748216 0.251784 F\n0.748216 0.251784 0.748216 F\n0.748216 0.748216 0.251784 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Au-F-Li-Rb",
"density": 5.123013754785155,
"density_atomic": 0.06311250024982214,
"volume": 158.4472166435552,
"volume_molar": 9.541914416577042,
"formula_full": "Rb2 Li1 Au1 F6",
"formula_reduced": "Rb2LiAuF6",
"formula_anonymous": "ABC2D6",
"energy": -42.21039489,
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"updated_at": "2021-11-28T01:38:47.655000Z",
"spacegroup": 225
},
{
"id": "mp-1113733",
"created_at": "2022-09-04T14:43:17.365113Z",
"structure_string": "Rb2 Li1 In1 F6\n1.0\n0.000000 4.284552 4.284552\n4.284552 0.000000 4.284552\n4.284552 4.284552 0.000000\nRb Li In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.247153 0.247153 0.752847 F\n0.247153 0.752847 0.752847 F\n0.752847 0.752847 0.247153 F\n0.247153 0.752847 0.247153 F\n0.752847 0.247153 0.752847 F\n0.752847 0.247153 0.247153 F\n",
"nsites": 10,
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"elements": [
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"Li",
"In",
"F"
],
"chemical_system": "F-In-Li-Rb",
"density": 4.293001324434881,
"density_atomic": 0.06357022522836894,
"volume": 157.30634843712,
"volume_molar": 9.473209727299427,
"formula_full": "Rb2 Li1 In1 F6",
"formula_reduced": "Rb2LiInF6",
"formula_anonymous": "ABC2D6",
"energy": -48.25176061,
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"updated_at": "2021-11-28T01:36:08.992000Z",
"spacegroup": 225
},
{
"id": "mp-1113732",
"created_at": "2022-09-04T14:39:31.209686Z",
"structure_string": "Rb2 Li1 Ga1 F6\n1.0\n0.000000 4.165019 4.165019\n4.165019 0.000000 4.165019\n4.165019 4.165019 0.000000\nRb Li Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.233795 0.233795 0.766205 F\n0.233795 0.766205 0.766205 F\n0.766205 0.766205 0.233795 F\n0.233795 0.766205 0.233795 F\n0.766205 0.233795 0.766205 F\n0.766205 0.233795 0.233795 F\n",
"nsites": 10,
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"elements": [
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"Ga",
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],
"chemical_system": "F-Ga-Li-Rb",
"density": 4.155129612128697,
"density_atomic": 0.0692020633320914,
"volume": 144.50436184267141,
"volume_molar": 8.702256074505403,
"formula_full": "Rb2 Li1 Ga1 F6",
"formula_reduced": "Rb2LiGaF6",
"formula_anonymous": "ABC2D6",
"energy": -49.142827,
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"updated_at": "2021-11-28T01:34:38.489000Z",
"spacegroup": 225
},
{
"id": "mp-1113711",
"created_at": "2022-09-04T14:48:23.225147Z",
"structure_string": "Rb2 Li1 Mn1 F6\n1.0\n5.898117 0.000000 0.000000\n2.949059 5.107920 0.000000\n2.949059 1.702640 4.815793\nRb Li Mn F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.236916 0.763084 0.236916 F\n0.763084 0.763084 0.236916 F\n0.763084 0.236916 0.763084 F\n0.763084 0.236916 0.236916 F\n0.236916 0.763084 0.763084 F\n0.236916 0.236916 0.763084 F\n",
"nsites": 10,
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],
"chemical_system": "F-Li-Mn-Rb",
"density": 3.969257251508601,
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"volume": 145.08592442073243,
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"formula_full": "Rb2 Li1 Mn1 F6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1113710",
"created_at": "2022-09-04T14:48:13.616935Z",
"structure_string": "Rb2 Li1 Ir1 F6\n1.0\n0.000000 4.210249 4.210249\n4.210249 0.000000 4.210249\n4.210249 4.210249 0.000000\nRb Li Ir F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ir\n0.243563 0.243563 0.756437 F\n0.243563 0.756437 0.756437 F\n0.756437 0.756437 0.243563 F\n0.243563 0.756437 0.243563 F\n0.756437 0.243563 0.756437 F\n0.756437 0.243563 0.243563 F\n",
"nsites": 10,
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"elements": [
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"density": 5.3853818634783845,
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"volume": 149.26340337157615,
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"formula_full": "Rb2 Li1 Ir1 F6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:34.072000Z",
"spacegroup": 225
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{
"id": "mp-1113709",
"created_at": "2022-09-04T14:46:36.338454Z",
"structure_string": "Rb2 Li1 Ni1 F6\n1.0\n5.846093 0.000000 0.000000\n2.923047 5.062865 0.000000\n2.923047 1.687622 4.773315\nRb Li Ni F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ni\n0.232864 0.767136 0.232864 F\n0.767136 0.767136 0.232864 F\n0.767136 0.232864 0.767136 F\n0.767136 0.232864 0.232864 F\n0.232864 0.767136 0.767136 F\n0.232864 0.232864 0.767136 F\n",
"nsites": 10,
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"volume": 141.28048016833748,
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"formula_full": "Rb2 Li1 Ni1 F6",
"formula_reduced": "Rb2LiNiF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
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"created_at": "2022-09-04T14:45:56.051294Z",
"structure_string": "Rb2 Li1 Rh1 F6\n1.0\n0.000000 4.196226 4.196226\n4.196226 0.000000 4.196226\n4.196226 4.196226 0.000000\nRb Li Rh F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n0.758052 0.241948 0.241948 F\n0.241948 0.241948 0.758052 F\n0.241948 0.758052 0.758052 F\n0.241948 0.758052 0.241948 F\n0.758052 0.241948 0.758052 F\n0.758052 0.758052 0.241948 F\n",
"nsites": 10,
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],
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"volume": 147.77691865800847,
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"formula_full": "Rb2 Li1 Rh1 F6",
"formula_reduced": "Rb2LiRhF6",
"formula_anonymous": "ABC2D6",
"energy": -49.16910772,
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},
{
"id": "mp-1113706",
"created_at": "2022-09-04T14:46:39.107472Z",
"structure_string": "Rb2 Li1 Pd1 F6\n1.0\n5.974789 -0.000000 -0.000000\n2.987395 5.174319 -0.000000\n2.987395 1.724773 4.878395\nRb Li Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pd\n0.245665 0.754335 0.245665 F\n0.754335 0.754335 0.245665 F\n0.754335 0.245665 0.754335 F\n0.754335 0.245665 0.245665 F\n0.245665 0.754335 0.754335 F\n0.245665 0.245665 0.754335 F\n",
"nsites": 10,
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}
]
}