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{
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{
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},
{
"id": "mp-16804",
"created_at": "2022-09-04T14:46:57.262987Z",
"structure_string": "Li6 Ca6 P6 O24\n1.0\n3.833512 -6.639838 0.000000\n3.833512 6.639838 0.000000\n0.000000 0.000000 10.052353\nLi Ca P O\n6 6 6 24\ndirect\n0.039945 0.237630 0.256310 Li\n0.762370 0.802315 0.256310 Li\n0.197685 0.960055 0.256310 Li\n0.237630 0.039945 0.756310 Li\n0.802315 0.762370 0.756310 Li\n0.960055 0.197685 0.756310 Li\n0.019481 0.541667 0.485354 Ca\n0.980519 0.522186 0.985354 Ca\n0.477814 0.458333 0.985354 Ca\n0.541667 0.019481 0.985354 Ca\n0.522186 0.980519 0.485354 Ca\n0.458333 0.477814 0.485354 Ca\n0.000000 0.000000 0.999648 P\n0.333333 0.666667 0.757204 P\n0.666667 0.333333 0.257204 P\n0.666667 0.333333 0.685884 P\n0.333333 0.666667 0.185884 P\n0.000000 0.000000 0.499648 P\n0.767444 0.550752 0.628124 O\n0.523084 0.666106 0.807627 O\n0.333894 0.856979 0.807627 O\n0.143021 0.476916 0.807627 O\n0.666106 0.523084 0.307627 O\n0.856979 0.333894 0.307627 O\n0.476916 0.143021 0.307627 O\n0.783308 0.232556 0.628124 O\n0.666667 0.333333 0.840216 O\n0.449248 0.216692 0.628124 O\n0.232556 0.783308 0.128124 O\n0.550752 0.767444 0.128124 O\n0.000000 0.000000 0.154818 O\n0.000000 0.000000 0.654818 O\n0.333333 0.666667 0.340216 O\n0.221061 0.125062 0.945656 O\n0.666667 0.333333 0.101219 O\n0.333333 0.666667 0.601219 O\n0.778939 0.904001 0.445656 O\n0.874938 0.095999 0.945656 O\n0.904001 0.778939 0.945656 O\n0.125062 0.221061 0.445656 O\n0.095999 0.874938 0.445656 O\n0.216692 0.449248 0.128124 O\n",
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"formula_full": "Li6 Ca6 P6 O24",
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{
"id": "mp-866783",
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"structure_string": "Fe2 H12 C4 N4 O8\n1.0\n0.000000 -6.755861 0.000000\n5.629510 -3.377930 -4.457167\n5.625288 -3.377930 4.908888\nFe H C N O\n2 12 4 4 8\ndirect\n0.263163 0.250000 0.750000 Fe\n0.736837 0.750000 0.250000 Fe\n0.053172 0.000491 0.773231 H\n0.826894 0.499509 0.726769 H\n0.946828 0.999509 0.226769 H\n0.173106 0.500491 0.273231 H\n0.139643 0.098793 0.559031 H\n0.797467 0.401207 0.940969 H\n0.860357 0.901207 0.440969 H\n0.202533 0.598793 0.059031 H\n0.324742 0.927243 0.650780 H\n0.902765 0.572757 0.849220 H\n0.675258 0.072757 0.349220 H\n0.097235 0.427243 0.150780 H\n0.613322 0.968776 0.920685 C\n0.502783 0.531224 0.579315 C\n0.386678 0.031224 0.079315 C\n0.497217 0.468776 0.420685 C\n0.183531 0.047021 0.676068 N\n0.906620 0.452979 0.823932 N\n0.816469 0.952979 0.323932 N\n0.093380 0.547021 0.176068 N\n0.604915 0.035451 0.760532 O\n0.400898 0.464549 0.739468 O\n0.395085 0.964549 0.239468 O\n0.599102 0.535451 0.260532 O\n0.791924 0.854152 0.965637 O\n0.611713 0.645848 0.534363 O\n0.208076 0.145848 0.034363 O\n0.388287 0.354152 0.465637 O\n",
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"formula_full": "Fe2 H12 C4 N4 O8",
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},
{
"id": "mp-1236067",
"created_at": "2022-09-04T14:46:57.266087Z",
"structure_string": "Li1 Zn2 Fe4 O8\n1.0\n5.309780 -0.102348 3.117558\n1.673433 5.040224 3.117558\n0.000000 0.000000 6.235116\nLi Zn Fe O\n1 2 4 8\ndirect\n0.750877 0.750877 0.749123 Li\n0.156729 0.599785 0.621743 Zn\n0.599785 0.156729 0.621743 Zn\n0.999978 0.999977 0.000023 Fe\n0.256491 0.256492 0.243508 Fe\n0.618943 0.618943 0.168494 Fe\n0.618943 0.618943 0.593619 Fe\n0.384236 0.384236 0.371556 O\n0.384236 0.384236 0.859973 O\n0.375035 0.871976 0.376494 O\n0.871975 0.375038 0.376493 O\n0.391213 0.868328 0.870230 O\n0.868331 0.391212 0.870229 O\n0.861614 0.861614 0.389759 O\n0.861614 0.861614 0.887014 O\n",
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],
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"volume": 167.93507496496485,
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"formula_full": "Li1 Zn2 Fe4 O8",
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{
"id": "mp-550759",
"created_at": "2022-09-04T14:46:57.269164Z",
"structure_string": "Rb1 Cl1 O4\n1.0\n0.000000 3.888464 3.888464\n3.888464 0.000000 3.888464\n3.888464 3.888464 0.000000\nRb Cl O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cl\n0.608781 0.173658 0.608781 O\n0.173658 0.608781 0.608781 O\n0.608781 0.608781 0.608781 O\n0.608781 0.608781 0.173658 O\n",
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{
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{
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{
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{
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{
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"elements": [
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],
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"density_atomic": 0.05253814749716626,
"volume": 152.27030988162448,
"volume_molar": 11.462415495949521,
"formula_full": "Nb6 In2",
"formula_reduced": "Nb3In",
"formula_anonymous": "AB3",
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"formation_energy": null,
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"energy_uncorrected": -65.85299841,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:05.881000Z",
"spacegroup": 223
},
{
"id": "mp-1036398",
"created_at": "2022-09-04T14:46:57.291072Z",
"structure_string": "Mg14 Al1 B1 O16\n1.0\n8.535784 0.000000 0.000000\n0.000000 8.535784 0.000000\n0.000000 0.000000 4.241041\nMg Al B O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.252446 0.000000 0.500000 Mg\n0.747554 0.000000 0.500000 Mg\n0.255922 0.500000 0.500000 Mg\n0.744078 0.500000 0.500000 Mg\n0.000000 0.252446 0.500000 Mg\n0.500000 0.255922 0.500000 Mg\n0.000000 0.747554 0.500000 Mg\n0.500000 0.744078 0.500000 Mg\n0.256077 0.256077 0.000000 Mg\n0.743923 0.256077 0.000000 Mg\n0.256077 0.743923 0.000000 Mg\n0.743923 0.743923 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 B\n0.000000 0.228532 0.000000 O\n0.500000 0.230879 0.000000 O\n0.000000 0.771468 0.000000 O\n0.500000 0.769121 0.000000 O\n0.249886 0.249886 0.500000 O\n0.750114 0.249886 0.500000 O\n0.249886 0.750114 0.500000 O\n0.750114 0.750114 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.228532 0.000000 0.000000 O\n0.771468 0.000000 0.000000 O\n0.230879 0.500000 0.000000 O\n0.769121 0.500000 0.000000 O\n",
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"elements": [
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"density_atomic": 0.103559673863937,
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"formula_full": "Mg14 Al1 B1 O16",
"formula_reduced": "Mg14AlBO16",
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"updated_at": "2021-11-28T01:37:53.024000Z",
"spacegroup": 123
}
]
}