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"results": [
{
"id": "mp-998212",
"created_at": "2022-09-04T14:45:58.709334Z",
"structure_string": "Rb1 Ag1 Br3\n1.0\n-5.445471 0.000773 0.001368\n-0.001124 -0.000446 -5.448177\n0.007826 -5.447141 0.015987\nRb Ag Br\n1 1 3\ndirect\n0.999891 0.001205 0.997071 Rb\n0.498789 0.494506 0.483871 Ag\n0.998981 0.493690 0.485763 Br\n0.504667 0.505716 0.984221 Br\n0.497675 0.994885 0.489074 Br\n",
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"density": 4.44969067029692,
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"volume": 161.60519348303666,
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{
"id": "mp-998226",
"created_at": "2022-09-04T14:41:13.189055Z",
"structure_string": "Rb1 Ag1 Br3\n1.0\n3.851573 3.851400 0.000000\n-3.851573 3.851400 0.000000\n0.000000 0.017070 5.447143\nRb Ag Br\n1 1 3\ndirect\n0.999891 0.999891 0.002929 Rb\n0.495991 0.495991 0.516129 Ag\n0.998981 0.492376 0.514237 Br\n0.504534 0.504534 0.015779 Br\n0.492376 0.998981 0.514237 Br\n",
"nsites": 5,
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"volume": 161.60527476866693,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:25.866000Z",
"spacegroup": 99
},
{
"id": "mp-998227",
"created_at": "2022-09-04T14:42:28.818151Z",
"structure_string": "K1 Hf1 O3\n1.0\n4.177954 0.000000 0.000000\n0.000000 4.177954 0.000000\n0.000000 0.000000 4.177954\nK Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
"K",
"Hf",
"O"
],
"chemical_system": "Hf-K-O",
"density": 6.047336441525025,
"density_atomic": 0.06856129977714692,
"volume": 72.92743889412984,
"volume_molar": 8.783586045734973,
"formula_full": "K1 Hf1 O3",
"formula_reduced": "KHfO3",
"formula_anonymous": "ABC3",
"energy": -40.64858935,
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"energy_uncorrected": -38.58758935,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0001286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.603000Z",
"spacegroup": 221
},
{
"id": "mp-998230",
"created_at": "2022-09-04T14:43:00.227618Z",
"structure_string": "Li1 Sn1 Cl3\n1.0\n3.759941 -3.561614 0.000000\n3.759941 3.561614 0.000000\n0.386192 0.000000 5.164601\nLi Sn Cl\n1 1 3\ndirect\n0.889077 0.889077 0.889077 Li\n0.522518 0.522518 0.522518 Sn\n0.374469 0.857255 0.857255 Cl\n0.857255 0.374469 0.857255 Cl\n0.857255 0.857255 0.374469 Cl\n",
"nsites": 5,
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"elements": [
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"Sn",
"Cl"
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"chemical_system": "Cl-Li-Sn",
"density": 2.785230555336312,
"density_atomic": 0.036147257573131863,
"volume": 138.3230799704286,
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"formula_full": "Li1 Sn1 Cl3",
"formula_reduced": "LiSnCl3",
"formula_anonymous": "ABC3",
"energy": -19.84980381,
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"energy_uncorrected": -18.00780381,
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"updated_at": "2021-11-28T01:36:03.306000Z",
"spacegroup": 160
},
{
"id": "mp-998231",
"created_at": "2022-09-04T14:42:01.991999Z",
"structure_string": "K1 Ge1 Cl3\n1.0\n3.759319 3.815231 0.000000\n-3.759319 3.815231 0.000000\n0.000000 0.119760 5.333764\nK Ge Cl\n1 1 3\ndirect\n0.996002 0.996002 0.998881 K\n0.478154 0.478154 0.467175 Ge\n0.494243 0.023648 0.481393 Cl\n0.500325 0.500325 0.007507 Cl\n0.023648 0.494243 0.481393 Cl\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Cl-Ge-K",
"density": 2.3670398921308373,
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"formula_full": "K1 Ge1 Cl3",
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"energy": -19.4372957,
"energy_per_atom": -3.88745914,
"energy_above_hull": null,
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"energy_uncorrected": -17.5952957,
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"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.582000Z",
"spacegroup": 8
},
{
"id": "mp-998233",
"created_at": "2022-09-04T14:40:52.059479Z",
"structure_string": "In1 Ge1 Cl3\n1.0\n3.757597 4.084061 0.000000\n-3.757597 4.084061 0.000000\n0.000000 0.029140 5.647626\nIn Ge Cl\n1 1 3\ndirect\n0.095025 0.095025 0.081978 In\n0.518381 0.518381 0.448978 Ge\n0.479701 0.957798 0.441996 Cl\n0.470813 0.470813 0.028233 Cl\n0.957798 0.479701 0.441996 Cl\n",
"nsites": 5,
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"Ge",
"Cl"
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"density": 2.8146712194019576,
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"volume": 173.3398215635561,
"volume_molar": 20.877536095380364,
"formula_full": "In1 Ge1 Cl3",
"formula_reduced": "InGeCl3",
"formula_anonymous": "ABC3",
"energy": -18.81136172,
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"formation_energy": null,
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"energy_uncorrected": -16.96936172,
"band_gap": 2.2217,
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"total_magnetization": 5.15e-05,
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"updated_at": "2021-11-28T01:35:00.263000Z",
"spacegroup": 8
},
{
"id": "mp-998234",
"created_at": "2022-09-04T14:40:16.403375Z",
"structure_string": "Cs1 Tl1 F3\n1.0\n3.379039 -3.383799 0.000000\n3.379039 3.383799 0.000000\n-0.009527 0.000000 4.782040\nCs Tl F\n1 1 3\ndirect\n0.053932 0.053932 0.053932 Cs\n0.547211 0.547211 0.547211 Tl\n0.046504 0.543179 0.543179 F\n0.543179 0.543179 0.046504 F\n0.543179 0.046504 0.543179 F\n",
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"F"
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"density": 5.987110126962187,
"density_atomic": 0.04572240246024778,
"volume": 109.35558349863894,
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"formula_full": "Cs1 Tl1 F3",
"formula_reduced": "CsTlF3",
"formula_anonymous": "ABC3",
"energy": -21.252865380000003,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:51.193000Z",
"spacegroup": 160
},
{
"id": "mp-998235",
"created_at": "2022-09-04T14:47:03.321240Z",
"structure_string": "Cs1 Tl1 F3\n1.0\n3.387103 -3.396075 0.000000\n3.387103 3.396075 0.000000\n0.000000 0.000000 4.796722\nCs Tl F\n1 1 3\ndirect\n0.004273 0.995727 0.500000 Cs\n0.502840 0.497160 0.000000 Tl\n0.506341 0.997414 0.000000 F\n0.495661 0.504339 0.500000 F\n0.002586 0.493659 0.000000 F\n",
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"volume": 110.35200315619933,
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"formula_full": "Cs1 Tl1 F3",
"formula_reduced": "CsTlF3",
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"energy": -21.25565492,
"energy_per_atom": -4.2511309840000004,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:50.180000Z",
"spacegroup": 38
},
{
"id": "mp-998240",
"created_at": "2022-09-04T14:40:26.867829Z",
"structure_string": "Cs2 Tl2 F6\n1.0\n3.907275 0.000000 0.000000\n0.000000 5.525721 0.000000\n0.000000 0.000000 9.570829\nCs Tl F\n2 2 6\ndirect\n0.000000 0.053932 0.000000 Cs\n0.000000 0.553932 0.500000 Cs\n0.500000 0.547211 0.000000 Tl\n0.500000 0.047211 0.500000 Tl\n0.500000 0.294841 0.751663 F\n0.500000 0.294841 0.248337 F\n0.000000 0.543179 0.000000 F\n0.500000 0.794841 0.251663 F\n0.500000 0.794841 0.748337 F\n0.000000 0.043179 0.500000 F\n",
"nsites": 10,
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"Tl",
"F"
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"density_atomic": 0.04839355330553972,
"volume": 206.63909378308202,
"volume_molar": 12.444097092805608,
"formula_full": "Cs2 Tl2 F6",
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"updated_at": "2021-11-28T01:34:48.355000Z",
"spacegroup": 38
},
{
"id": "mp-998241",
"created_at": "2022-09-04T14:40:07.936129Z",
"structure_string": "Mn1 In1 F3\n1.0\n4.309147 0.000000 0.000000\n0.005271 4.311108 0.000000\n0.035720 0.015022 4.313047\nMn In F\n1 1 3\ndirect\n0.487477 0.498510 0.494937 Mn\n0.996044 0.996466 0.990614 In\n0.482761 0.999274 0.499290 F\n0.986600 0.505561 0.508586 F\n0.487118 0.500184 0.996575 F\n",
"nsites": 5,
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"density": 4.699313223037958,
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"volume": 80.12432855464112,
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"formula_full": "Mn1 In1 F3",
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"updated_at": "2021-11-28T01:34:47.417000Z",
"spacegroup": 1
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{
"id": "mp-998297",
"created_at": "2022-09-04T14:44:56.185347Z",
"structure_string": "Cs1 Sr1 Br3\n1.0\n4.270706 4.273152 0.000000\n-4.270706 4.273152 0.000000\n0.000000 0.001765 6.033992\nCs Sr Br\n1 1 3\ndirect\n0.995612 0.995612 0.996817 Cs\n0.495057 0.495057 0.484340 Sr\n0.495410 0.996498 0.485573 Br\n0.508003 0.508003 0.984434 Br\n0.996498 0.495410 0.485573 Br\n",
"nsites": 5,
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"density": 3.4701505104726746,
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"volume": 220.23317619393103,
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"formula_full": "Cs1 Sr1 Br3",
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"updated_at": "2021-11-28T01:36:46.852000Z",
"spacegroup": 8
},
{
"id": "mp-998298",
"created_at": "2022-09-04T14:40:00.280181Z",
"structure_string": "Cs1 Sn1 F3\n1.0\n4.772341 0.000000 0.000000\n-0.100283 4.914816 0.000000\n-0.206890 -0.405615 5.019912\nCs Sn F\n1 1 3\ndirect\n0.005799 0.001771 0.985473 Cs\n0.504305 0.498685 0.486730 Sn\n0.962259 0.528132 0.531340 F\n0.514852 0.525840 0.908074 F\n0.512783 0.935575 0.528383 F\n",
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"density": 4.3523637813258915,
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"volume": 117.74292902370954,
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"formula_full": "Cs1 Sn1 F3",
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"energy": -24.422502,
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"updated_at": "2021-11-28T01:34:52.090000Z",
"spacegroup": 1
}
]
}