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{
"id": "mp-568508",
"created_at": "2022-09-04T14:40:21.152360Z",
"structure_string": "Cs8 Rb8 Mn16 Cl48\n1.0\n7.333763 -12.702450 0.000000\n7.333763 12.702450 0.000000\n0.000000 0.000000 12.110848\nCs Rb Mn Cl\n8 8 16 48\ndirect\n0.500000 0.000000 0.000000 Cs\n0.666667 0.333333 0.750000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.500000 Cs\n0.333333 0.666667 0.250000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.500000 0.500000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.166300 0.332601 0.750000 Rb\n0.833700 0.166300 0.250000 Rb\n0.166300 0.833700 0.750000 Rb\n0.667399 0.833700 0.750000 Rb\n0.000000 0.000000 0.500000 Rb\n0.332601 0.166300 0.250000 Rb\n0.833700 0.667399 0.250000 Rb\n0.834046 0.668092 0.882816 Mn\n0.668092 0.834046 0.382816 Mn\n0.834046 0.668092 0.617184 Mn\n0.668092 0.834046 0.117184 Mn\n0.165954 0.331908 0.117184 Mn\n0.165954 0.331908 0.382816 Mn\n0.165954 0.834046 0.382816 Mn\n0.666667 0.333333 0.117297 Mn\n0.331908 0.165954 0.617184 Mn\n0.165954 0.834046 0.117184 Mn\n0.834046 0.165954 0.617184 Mn\n0.834046 0.165954 0.882816 Mn\n0.331908 0.165954 0.882816 Mn\n0.333333 0.666667 0.617297 Mn\n0.666667 0.333333 0.382703 Mn\n0.333333 0.666667 0.882703 Mn\n0.411170 0.822340 0.750000 Cl\n0.000000 0.752529 0.000000 Cl\n0.678276 0.087089 0.750000 Cl\n0.000000 0.247471 0.500000 Cl\n0.247471 0.000000 0.500000 Cl\n0.249285 0.750715 0.501552 Cl\n0.501430 0.750715 0.501552 Cl\n0.176005 0.088003 0.750000 Cl\n0.591187 0.678276 0.250000 Cl\n0.249285 0.498570 0.501552 Cl\n0.591187 0.912911 0.250000 Cl\n0.678276 0.591187 0.750000 Cl\n0.588830 0.177660 0.250000 Cl\n0.000000 0.247471 0.000000 Cl\n0.321724 0.912911 0.250000 Cl\n0.247471 0.000000 0.000000 Cl\n0.822340 0.411170 0.250000 Cl\n0.501430 0.750715 0.998448 Cl\n0.588830 0.411170 0.250000 Cl\n0.408813 0.087089 0.750000 Cl\n0.087089 0.678276 0.250000 Cl\n0.750715 0.249285 0.498448 Cl\n0.911997 0.088003 0.750000 Cl\n0.408813 0.321724 0.750000 Cl\n0.247471 0.247471 0.000000 Cl\n0.752529 0.000000 0.000000 Cl\n0.088003 0.176005 0.250000 Cl\n0.498570 0.249285 0.001552 Cl\n0.752529 0.000000 0.500000 Cl\n0.247471 0.247471 0.500000 Cl\n0.823995 0.911997 0.250000 Cl\n0.321724 0.408813 0.250000 Cl\n0.752529 0.752529 0.000000 Cl\n0.088003 0.911997 0.250000 Cl\n0.750715 0.501430 0.001552 Cl\n0.912911 0.591187 0.750000 Cl\n0.498570 0.249285 0.498448 Cl\n0.249285 0.750715 0.998448 Cl\n0.000000 0.752529 0.500000 Cl\n0.177660 0.588830 0.750000 Cl\n0.911997 0.823995 0.750000 Cl\n0.087089 0.408813 0.250000 Cl\n0.912911 0.321724 0.750000 Cl\n0.750715 0.249285 0.001552 Cl\n0.750715 0.501430 0.498448 Cl\n0.411170 0.588830 0.750000 Cl\n0.752529 0.752529 0.500000 Cl\n0.249285 0.498570 0.998448 Cl\n",
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"spacegroup": 194
},
{
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"created_at": "2022-09-04T14:40:21.528582Z",
"structure_string": "Ta4 V6 Ge2\n1.0\n2.496924 -4.324800 0.000000\n2.496924 4.324800 0.000000\n0.000000 0.000000 8.402861\nTa V Ge\n4 6 2\ndirect\n0.333333 0.666667 0.437820 Ta\n0.666667 0.333333 0.562180 Ta\n0.666667 0.333333 0.937820 Ta\n0.333333 0.666667 0.062180 Ta\n0.827095 0.172905 0.250000 V\n0.827095 0.654191 0.250000 V\n0.345809 0.172905 0.250000 V\n0.172905 0.827095 0.750000 V\n0.172905 0.345809 0.750000 V\n0.654191 0.827095 0.750000 V\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"V",
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],
"chemical_system": "Ge-Ta-V",
"density": 10.748679792439981,
"density_atomic": 0.06612302580696604,
"volume": 181.47989831910874,
"volume_molar": 9.107479106568002,
"formula_full": "Ta4 V6 Ge2",
"formula_reduced": "Ta2V3Ge",
"formula_anonymous": "AB2C3",
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"spacegroup": 194
},
{
"id": "mp-583266",
"created_at": "2022-09-04T14:40:21.651225Z",
"structure_string": "Mg6 Zn6\n1.0\n2.683543 -4.648032 0.000000\n2.683543 4.648032 0.000000\n0.000000 0.000000 8.793995\nMg Zn\n6 6\ndirect\n0.333333 0.666667 0.435620 Mg\n0.666667 0.333333 0.564380 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.935620 Mg\n0.333333 0.666667 0.064380 Mg\n0.000000 0.000000 0.000000 Mg\n0.827102 0.172898 0.250000 Zn\n0.172898 0.827102 0.750000 Zn\n0.654204 0.827102 0.750000 Zn\n0.172898 0.345796 0.750000 Zn\n0.345796 0.172898 0.250000 Zn\n0.827102 0.654204 0.250000 Zn\n",
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"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 4.074428401070261,
"density_atomic": 0.05470000525283953,
"volume": 219.3784067210317,
"volume_molar": 11.009397041488192,
"formula_full": "Mg6 Zn6",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -18.02915127,
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"updated_at": "2021-11-28T01:35:06.074000Z",
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}
]
}