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{
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{
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"structure_string": "Mn6 Zn4 O16\n1.0\n2.893798 -5.012204 -0.000000\n2.893798 5.012204 -0.000000\n0.000000 -0.000000 9.318819\nMn Zn O\n6 4 16\ndirect\n0.673084 0.836542 0.754851 Mn\n0.836542 0.673084 0.254851 Mn\n0.163459 0.836542 0.754851 Mn\n0.836542 0.163459 0.254851 Mn\n0.326917 0.163458 0.254851 Mn\n0.163458 0.326917 0.754851 Mn\n0.333334 0.666667 0.078386 Zn\n0.666667 0.333334 0.578386 Zn\n0.666667 0.333334 0.967543 Zn\n0.333334 0.666667 0.467543 Zn\n0.481970 0.518031 0.637431 O\n0.963941 0.481971 0.137431 O\n0.333334 0.666667 0.862064 O\n0.000000 0.000000 0.148977 O\n0.000000 0.000000 0.648977 O\n0.518031 0.481970 0.137431 O\n0.036060 0.518030 0.637431 O\n0.157430 0.842571 0.357560 O\n0.157429 0.314860 0.357560 O\n0.314860 0.157429 0.857560 O\n0.842571 0.157430 0.857560 O\n0.481971 0.963941 0.637431 O\n0.685141 0.842571 0.357560 O\n0.842571 0.685141 0.857560 O\n0.518030 0.036060 0.137431 O\n0.666667 0.333334 0.362064 O\n",
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"structure_string": "Mg4 Nb4 Fe2 O16\n1.0\n-5.172585 -0.000024 0.000114\n-0.000188 -5.990417 -0.000909\n0.157467 2.993312 9.520347\nMg Nb Fe O\n4 4 2 16\ndirect\n0.754541 0.588227 0.459041 Mg\n0.748534 0.129944 0.542429 Mg\n0.248544 0.411444 0.542454 Mg\n0.254550 0.869726 0.459061 Mg\n0.749409 0.716730 0.770697 Nb\n0.753671 0.946758 0.230785 Nb\n0.253656 0.282929 0.230795 Nb\n0.249390 0.052899 0.770700 Nb\n0.251531 0.642238 0.000749 Fe\n0.751525 0.357409 0.000739 Fe\n0.888998 0.452819 0.619135 O\n0.614083 0.834426 0.382352 O\n0.114075 0.546853 0.382354 O\n0.388996 0.165241 0.619138 O\n0.045184 0.084278 0.375644 O\n0.457889 0.709389 0.625834 O\n0.086166 0.319393 0.883939 O\n0.911201 0.183863 0.138519 O\n0.916882 0.680264 0.117542 O\n0.586176 0.563474 0.883940 O\n0.591852 0.046077 0.862968 O\n0.957889 0.915384 0.625840 O\n0.411209 0.953569 0.138524 O\n0.091858 0.815794 0.862970 O\n0.416874 0.436161 0.117540 O\n0.545186 0.290276 0.375655 O\n",
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"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.483823 -0.000000 0.000000\n0.000000 6.483823 0.000000\n0.000000 0.000000 10.067696\nRb Na Co O\n4 8 4 10\ndirect\n0.302179 0.302179 0.000000 Rb\n0.197821 0.802179 0.500000 Rb\n0.802179 0.197821 0.500000 Rb\n0.697820 0.697820 0.000000 Rb\n0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776204 Na\n0.000000 0.500000 0.250000 Na\n0.500000 0.500000 0.276204 Na\n0.500000 0.500000 0.723797 Na\n0.000000 0.000000 0.223797 Na\n0.500000 0.000000 0.250000 Na\n0.289882 0.289882 0.500000 Co\n0.210118 0.789881 0.000000 Co\n0.710118 0.710118 0.500000 Co\n0.789881 0.210118 0.000000 Co\n0.277206 0.722793 0.169153 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722793 0.277206 0.830848 O\n0.277206 0.722793 0.830848 O\n0.222794 0.222794 0.330847 O\n0.777206 0.777206 0.669153 O\n0.222794 0.222794 0.669153 O\n0.722793 0.277206 0.169153 O\n0.777206 0.777206 0.330847 O\n",
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"structure_string": "Mg4 Bi6 O16\n1.0\n3.449887 -5.975379 -0.000000\n3.449887 5.975379 0.000000\n0.000000 0.000000 8.929896\nMg Bi O\n4 6 16\ndirect\n0.666667 0.333333 0.974511 Mg\n0.333333 0.666667 0.474511 Mg\n0.666667 0.333333 0.648401 Mg\n0.333333 0.666667 0.148400 Mg\n0.167416 0.334832 0.764424 Bi\n0.832585 0.167416 0.264424 Bi\n0.334832 0.167416 0.264424 Bi\n0.832585 0.665169 0.264424 Bi\n0.665169 0.832585 0.764424 Bi\n0.167416 0.832585 0.764424 Bi\n0.473205 0.526795 0.617562 O\n0.946411 0.473206 0.117562 O\n0.333333 0.666667 0.908789 O\n0.000000 0.000000 0.136257 O\n0.000000 0.000000 0.636257 O\n0.526795 0.473205 0.117562 O\n0.053590 0.526795 0.617562 O\n0.197861 0.802139 0.330861 O\n0.197861 0.395722 0.330861 O\n0.395722 0.197861 0.830861 O\n0.802139 0.197861 0.830861 O\n0.473206 0.946411 0.617562 O\n0.604279 0.802140 0.330861 O\n0.802140 0.604279 0.830861 O\n0.526795 0.053590 0.117562 O\n0.666667 0.333333 0.408789 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 7.248419659439056,
"density_atomic": 0.07061982299878582,
"volume": 368.16858066108466,
"volume_molar": 8.527550062117177,
"formula_full": "Mg4 Bi6 O16",
"formula_reduced": "Mg2Bi3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.7969206923076926,
"spacegroup": 186
},
{
"id": "jvasp-58607",
"created_at": "2022-09-04T14:37:29.273271Z",
"updated_at": "2022-09-04T14:37:29.273290Z",
"structure_string": "Ca4 Sb6 O16\n1.0\n3.380397 -5.855020 0.000000\n3.380397 5.855020 0.000000\n-0.000000 -0.000000 10.107624\nCa Sb O\n4 6 16\ndirect\n0.666667 0.333333 0.968631 Ca\n0.333333 0.666667 0.468631 Ca\n0.666667 0.333333 0.607122 Ca\n0.333333 0.666667 0.107122 Ca\n0.165160 0.330320 0.755715 Sb\n0.834841 0.165160 0.255715 Sb\n0.330320 0.165160 0.255715 Sb\n0.834841 0.669681 0.255715 Sb\n0.669681 0.834841 0.755715 Sb\n0.165160 0.834841 0.755715 Sb\n0.474896 0.525105 0.637298 O\n0.949792 0.474896 0.137298 O\n0.333333 0.666667 0.872322 O\n0.000000 0.000000 0.153135 O\n0.000000 0.000000 0.653135 O\n0.525105 0.474896 0.137298 O\n0.050209 0.525105 0.637298 O\n0.164641 0.835360 0.342083 O\n0.164640 0.329281 0.342083 O\n0.329281 0.164640 0.842083 O\n0.835360 0.164641 0.842083 O\n0.474896 0.949792 0.637298 O\n0.670720 0.835360 0.342083 O\n0.835360 0.670720 0.842083 O\n0.525105 0.050209 0.137298 O\n0.666667 0.333333 0.372322 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ca-O-Sb",
"density": 4.7597621147071285,
"density_atomic": 0.0649827645991767,
"volume": 400.1060921364587,
"volume_molar": 9.267289252997243,
"formula_full": "Ca4 Sb6 O16",
"formula_reduced": "Ca2Sb3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.0506682415384616,
"spacegroup": 186
}
]
}