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{
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{
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{
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{
"id": "mp-559163",
"created_at": "2022-09-04T14:45:16.275696Z",
"structure_string": "K4 Fe4 As8 O28\n1.0\n7.830323 0.000000 0.000000\n2.457630 8.223340 0.000000\n0.071717 0.014732 10.308790\nK Fe As O\n4 4 8 28\ndirect\n0.163993 0.460417 0.676196 K\n0.824174 0.061407 0.174719 K\n0.836007 0.539583 0.323804 K\n0.175826 0.938593 0.825281 K\n0.765933 0.264478 0.595364 Fe\n0.234067 0.735522 0.404636 Fe\n0.764775 0.770264 0.900865 Fe\n0.235225 0.229736 0.099135 Fe\n0.124496 0.664697 0.102853 As\n0.558530 0.679736 0.645114 As\n0.445961 0.796973 0.130324 As\n0.875504 0.335303 0.897147 As\n0.847585 0.848870 0.579645 As\n0.441470 0.320264 0.354886 As\n0.554039 0.203027 0.869676 As\n0.152415 0.151130 0.420355 As\n0.326611 0.981994 0.073504 O\n0.107983 0.473838 0.121137 O\n0.446133 0.757074 0.293131 O\n0.281617 0.499732 0.374173 O\n0.892017 0.526162 0.878863 O\n0.662507 0.738005 0.077981 O\n0.080302 0.778231 0.242396 O\n0.453611 0.241377 0.201290 O\n0.184347 0.958118 0.471745 O\n0.718383 0.500268 0.625827 O\n0.363047 0.185120 0.457437 O\n0.636953 0.814880 0.542563 O\n0.991191 0.783086 0.988490 O\n0.101835 0.192084 0.261062 O\n0.815653 0.041882 0.528255 O\n0.354150 0.681063 0.590859 O\n0.653542 0.344003 0.948656 O\n0.337493 0.261995 0.922019 O\n0.919698 0.221769 0.757604 O\n0.645850 0.318937 0.409141 O\n0.346458 0.655997 0.051344 O\n0.553867 0.242926 0.706869 O\n0.002093 0.710568 0.489648 O\n0.008809 0.216914 0.011510 O\n0.898165 0.807916 0.738938 O\n0.546389 0.758623 0.798710 O\n0.673389 0.018006 0.926496 O\n0.997907 0.289432 0.510352 O\n",
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"elements": [
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],
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"volume": 663.7975063691442,
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"formula_full": "K4 Fe4 As8 O28",
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{
"id": "mp-1183814",
"created_at": "2022-09-04T14:45:11.084982Z",
"structure_string": "Ce1 Pb1 Au2\n1.0\n0.000000 3.630669 3.630669\n3.630669 0.000000 3.630669\n3.630669 3.630669 0.000000\nCe Pb Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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"formula_full": "Ce1 Pb1 Au2",
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{
"id": "mp-26614",
"created_at": "2022-09-04T14:45:17.446002Z",
"structure_string": "Fe2 P4 O14\n1.0\n4.218615 5.032790 0.000000\n-4.218615 5.032790 0.000000\n0.000000 3.383863 6.108972\nFe P O\n2 4 14\ndirect\n0.306094 0.693906 0.500000 Fe\n0.693906 0.306094 0.500000 Fe\n0.234282 0.234282 0.425048 P\n0.690272 0.690272 0.051317 P\n0.765718 0.765718 0.574952 P\n0.309728 0.309728 0.948683 P\n0.462343 0.768510 0.174657 O\n0.768510 0.462343 0.174657 O\n0.638271 0.638271 0.509627 O\n0.990335 0.290735 0.500360 O\n0.290735 0.990335 0.500360 O\n0.668519 0.668519 0.838913 O\n0.140575 0.140575 0.013550 O\n0.709265 0.009665 0.499640 O\n0.009665 0.709265 0.499640 O\n0.361729 0.361729 0.490373 O\n0.231490 0.537657 0.825343 O\n0.537657 0.231490 0.825343 O\n0.859425 0.859425 0.986450 O\n0.331481 0.331481 0.161087 O\n",
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{
"id": "mp-1183388",
"created_at": "2022-09-04T14:45:10.969464Z",
"structure_string": "Ba2 Eu6\n1.0\n4.124364 -7.143607 0.000000\n4.124364 7.143607 0.000000\n0.000000 0.000000 6.658402\nBa Eu\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.164277 0.328555 0.250000 Eu\n0.671445 0.835723 0.250000 Eu\n0.164277 0.835723 0.250000 Eu\n0.835723 0.671445 0.750000 Eu\n0.328555 0.164277 0.750000 Eu\n0.835723 0.164277 0.750000 Eu\n",
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{
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"created_at": "2022-09-04T14:45:16.284639Z",
"structure_string": "Li1 V2 Zn2 Si2 O10\n1.0\n3.528157 -0.059620 4.282829\n-3.193277 6.720803 -0.008798\n0.303036 0.124158 8.324703\nLi V Zn Si O\n1 2 2 2 10\ndirect\n0.494668 0.497370 0.003133 Li\n0.501055 0.499274 0.500297 V\n0.501836 0.999107 0.499912 V\n0.480859 0.205332 0.215222 Zn\n0.524642 0.794071 0.783997 Zn\n0.540606 0.231342 0.808894 Si\n0.462917 0.767128 0.190829 Si\n0.777639 0.115378 0.579053 O\n0.497767 0.416040 0.745527 O\n0.226649 0.883399 0.420399 O\n0.503804 0.581942 0.255221 O\n0.201295 0.674820 0.152665 O\n0.940065 0.948158 0.871769 O\n0.801416 0.323965 0.847518 O\n0.063529 0.050264 0.127945 O\n0.408794 0.731949 0.622134 O\n0.595813 0.266916 0.377554 O\n",
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{
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"formula_full": "Na5 Mn7 O16",
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{
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"created_at": "2022-09-04T14:45:20.388289Z",
"structure_string": "U1 Fe10 Mo2\n1.0\n0.000000 0.000000 4.663455\n-4.323617 4.268179 2.331727\n-4.323617 -4.268179 -2.331727\nU Fe Mo\n1 10 2\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.712340 0.787660 0.212340 Fe\n0.287660 0.212340 0.787660 Fe\n0.500000 0.775420 0.775420 Fe\n0.500000 0.224580 0.224580 Fe\n0.646439 0.353561 0.646439 Fe\n0.353561 0.646439 0.353561 Fe\n0.000000 0.356732 0.356732 Mo\n0.000000 0.643268 0.643268 Mo\n",
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{
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"structure_string": "Dy2 Fe4 Co4 B2\n1.0\n-2.546959 -4.383016 0.002085\n-2.519484 4.367142 -0.000405\n0.002405 0.002024 -6.843083\nDy Fe Co B\n2 4 4 2\ndirect\n0.998893 0.999424 0.002434 Dy\n0.000747 0.000361 0.493680 Dy\n0.501354 0.000617 0.713159 Fe\n0.501335 0.500765 0.713194 Fe\n0.334521 0.667129 0.002779 Fe\n0.663211 0.331624 0.002998 Fe\n0.999139 0.499599 0.287451 Co\n0.499422 0.999781 0.288935 Co\n0.499480 0.499751 0.288844 Co\n0.001143 0.500629 0.712669 Co\n0.331022 0.665613 0.496945 B\n0.669534 0.334707 0.496914 B\n",
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{
"id": "mp-1102716",
"created_at": "2022-09-04T14:45:16.294688Z",
"structure_string": "Li8 Sb1 O3\n1.0\n5.254829 0.000000 0.000000\n0.000000 5.254829 0.000000\n0.000000 0.000000 5.254829\nLi Sb O\n8 1 3\ndirect\n0.273764 0.273764 0.273764 Li\n0.726236 0.726236 0.273764 Li\n0.726236 0.273764 0.726236 Li\n0.273764 0.726236 0.726236 Li\n0.273764 0.273764 0.726236 Li\n0.726236 0.726236 0.726236 Li\n0.726236 0.273764 0.273764 Li\n0.273764 0.726236 0.273764 Li\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb",
"density": 2.578148465786428,
"density_atomic": 0.0826999947613801,
"volume": 145.10279032815436,
"volume_molar": 7.281911900207601,
"formula_full": "Li8 Sb1 O3",
"formula_reduced": "Li8SbO3",
"formula_anonymous": "AB3C8",
"energy": -49.75438531,
"energy_per_atom": -4.146198775833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.50138531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.008000Z",
"spacegroup": 221
}
]
}