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{
"id": "mp-1097426",
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{
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{
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{
"id": "mp-554463",
"created_at": "2022-09-04T14:41:20.643338Z",
"structure_string": "Na18 Lu6 Si12 O42\n1.0\n4.714589 -8.165908 0.000000\n4.714589 8.165908 0.000000\n0.000000 0.000000 13.772833\nNa Lu Si O\n18 6 12 42\ndirect\n0.331844 0.316519 0.909806 Na\n0.316519 0.984675 0.409806 Na\n0.331844 0.316519 0.590194 Na\n0.668156 0.683481 0.090194 Na\n0.015325 0.331844 0.409806 Na\n0.683481 0.015325 0.909806 Na\n0.984675 0.668156 0.909806 Na\n0.666667 0.333333 0.750000 Na\n0.984675 0.668156 0.590194 Na\n0.015325 0.331844 0.090194 Na\n0.683481 0.015325 0.590194 Na\n0.668156 0.683481 0.409806 Na\n0.316519 0.984675 0.090194 Na\n0.333333 0.666667 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.666667 0.333333 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.981610 Lu\n0.000000 0.000000 0.250000 Lu\n0.666667 0.333333 0.518390 Lu\n0.333333 0.666667 0.018390 Lu\n0.333333 0.666667 0.481610 Lu\n0.000000 0.000000 0.750000 Lu\n0.653037 0.671411 0.640152 Si\n0.346963 0.328589 0.140152 Si\n0.671411 0.018374 0.359848 Si\n0.328589 0.981626 0.859848 Si\n0.018374 0.346963 0.640152 Si\n0.018374 0.346963 0.859848 Si\n0.981626 0.653037 0.359848 Si\n0.328589 0.981626 0.640152 Si\n0.346963 0.328589 0.359848 Si\n0.671411 0.018374 0.140152 Si\n0.653037 0.671411 0.859848 Si\n0.981626 0.653037 0.140152 Si\n0.172301 0.443950 0.564678 O\n0.849496 0.804363 0.858431 O\n0.728351 0.172301 0.064678 O\n0.443950 0.271649 0.064678 O\n0.172301 0.443950 0.935322 O\n0.614116 0.485259 0.618407 O\n0.271649 0.827699 0.935322 O\n0.804363 0.954867 0.358431 O\n0.675219 0.098917 0.250000 O\n0.485259 0.871143 0.118407 O\n0.827699 0.556050 0.435322 O\n0.871143 0.385884 0.618407 O\n0.556050 0.728351 0.935322 O\n0.514741 0.128857 0.881593 O\n0.045133 0.849496 0.141569 O\n0.576302 0.675219 0.750000 O\n0.128857 0.614116 0.381593 O\n0.443950 0.271649 0.435322 O\n0.485259 0.871143 0.381593 O\n0.871143 0.385884 0.881593 O\n0.804363 0.954867 0.141569 O\n0.728351 0.172301 0.435322 O\n0.098917 0.423698 0.750000 O\n0.195637 0.045133 0.858431 O\n0.901083 0.576302 0.250000 O\n0.827699 0.556050 0.064678 O\n0.045133 0.849496 0.358431 O\n0.514741 0.128857 0.618407 O\n0.954867 0.150504 0.641569 O\n0.556050 0.728351 0.564678 O\n0.423698 0.324781 0.250000 O\n0.195637 0.045133 0.641569 O\n0.150504 0.195637 0.358431 O\n0.385884 0.514741 0.381593 O\n0.849496 0.804363 0.641569 O\n0.614116 0.485259 0.881593 O\n0.385884 0.514741 0.118407 O\n0.150504 0.195637 0.141569 O\n0.954867 0.150504 0.858431 O\n0.324781 0.901083 0.750000 O\n0.271649 0.827699 0.564678 O\n0.128857 0.614116 0.118407 O\n",
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"formula_full": "Na18 Lu6 Si12 O42",
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{
"id": "mp-1113748",
"created_at": "2022-09-04T14:42:10.961697Z",
"structure_string": "Rb2 Li1 As1 F6\n1.0\n0.000000 4.262696 4.262696\n4.262696 0.000000 4.262696\n4.262696 4.262696 0.000000\nRb Li As 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 As\n0.244887 0.244887 0.755113 F\n0.244887 0.755113 0.755113 F\n0.755113 0.755113 0.244887 F\n0.244887 0.755113 0.244887 F\n0.755113 0.244887 0.755113 F\n0.755113 0.244887 0.244887 F\n",
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{
"id": "mp-1093876",
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"structure_string": "Ca1 Tl1 Pd2\n1.0\n-5.163044 6.050261 8.554842\n5.163044 -6.050261 8.554842\n5.163044 6.050261 -8.554842\nCa Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.241773 0.241773 Pd\n0.000000 0.758227 0.758227 Pd\n",
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{
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{
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{
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{
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"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.21669958,
"energy_per_atom": -3.804174895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.21669958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.940000Z",
"spacegroup": 11
}
]
}