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{
"id": "mp-1186780",
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"structure_string": "Sr2 Yb6\n1.0\n3.982399 -6.897718 0.000000\n3.982399 6.897718 0.000000\n0.000000 0.000000 6.484718\nSr Yb\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164176 0.328351 0.250000 Yb\n0.671649 0.835824 0.250000 Yb\n0.164176 0.835824 0.250000 Yb\n0.835824 0.671649 0.750000 Yb\n0.328351 0.164176 0.750000 Yb\n0.835824 0.164176 0.750000 Yb\n",
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{
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{
"id": "mp-1184402",
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"structure_string": "Eu6 Dy2\n1.0\n3.821646 -6.619285 0.000000\n3.821646 6.619285 0.000000\n0.000000 0.000000 6.200185\nEu Dy\n6 2\ndirect\n0.169586 0.339172 0.250000 Eu\n0.660828 0.830414 0.250000 Eu\n0.169586 0.830414 0.250000 Eu\n0.830414 0.660828 0.750000 Eu\n0.339172 0.169586 0.750000 Eu\n0.830414 0.169586 0.750000 Eu\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
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{
"id": "mp-1221584",
"created_at": "2022-09-04T14:48:14.970274Z",
"structure_string": "Mn2 V2 Sb2\n1.0\n2.234596 -3.870433 0.000000\n2.234596 3.870433 0.000000\n0.000000 0.000000 5.409862\nMn V Sb\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.750000 Mn\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 6,
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{
"id": "mp-1188061",
"created_at": "2022-09-04T14:48:15.089004Z",
"structure_string": "Zr6 Sn2\n1.0\n3.160878 -5.474801 0.000000\n3.160878 5.474801 0.000000\n0.000000 0.000000 5.211914\nZr Sn\n6 2\ndirect\n0.167635 0.335271 0.250000 Zr\n0.664729 0.832365 0.250000 Zr\n0.167635 0.832365 0.250000 Zr\n0.832365 0.664729 0.750000 Zr\n0.335271 0.167635 0.750000 Zr\n0.832365 0.167635 0.750000 Zr\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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"formula_full": "Zr6 Sn2",
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{
"id": "mp-662499",
"created_at": "2022-09-04T14:48:15.210777Z",
"structure_string": "Rb6 Mg6 Cl18\n1.0\n3.592001 -6.221529 0.000000\n3.592001 6.221529 0.000000\n0.000000 0.000000 17.787439\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.589438 Rb\n0.666667 0.333333 0.910562 Rb\n0.333333 0.666667 0.410562 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.089438 Rb\n0.333333 0.666667 0.660067 Mg\n0.666667 0.333333 0.339933 Mg\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.839933 Mg\n0.666667 0.333333 0.160067 Mg\n0.000000 0.000000 0.000000 Mg\n0.834002 0.165998 0.418405 Cl\n0.508611 0.017223 0.250000 Cl\n0.331996 0.165998 0.418405 Cl\n0.508611 0.491389 0.250000 Cl\n0.668004 0.834002 0.918405 Cl\n0.834002 0.165998 0.081595 Cl\n0.331996 0.165998 0.081595 Cl\n0.165998 0.331996 0.581595 Cl\n0.165998 0.834002 0.581595 Cl\n0.834002 0.668004 0.081595 Cl\n0.165998 0.331996 0.918405 Cl\n0.165998 0.834002 0.918405 Cl\n0.668004 0.834002 0.581595 Cl\n0.491389 0.982777 0.750000 Cl\n0.834002 0.668004 0.418405 Cl\n0.982777 0.491389 0.250000 Cl\n0.491389 0.508611 0.750000 Cl\n0.017223 0.508611 0.750000 Cl\n",
"nsites": 30,
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"elements": [
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"density": 2.708582200301263,
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"formula_full": "Rb6 Mg6 Cl18",
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{
"id": "mp-1202085",
"created_at": "2022-09-04T14:48:15.215300Z",
"structure_string": "Th6 Cd30\n1.0\n5.006229 -8.671043 0.000000\n5.006229 8.671043 0.000000\n0.000000 0.000000 10.124904\nTh Cd\n6 30\ndirect\n0.192202 0.807798 0.250000 Th\n0.192202 0.384405 0.250000 Th\n0.615595 0.807798 0.250000 Th\n0.807798 0.192202 0.750000 Th\n0.807798 0.615595 0.750000 Th\n0.384405 0.192202 0.750000 Th\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.468637 Cd\n0.666667 0.333333 0.531363 Cd\n0.666667 0.333333 0.968637 Cd\n0.333333 0.666667 0.031363 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.566270 0.433730 0.250000 Cd\n0.566270 0.132540 0.250000 Cd\n0.867460 0.433730 0.250000 Cd\n0.433730 0.566270 0.750000 Cd\n0.433730 0.867460 0.750000 Cd\n0.132540 0.566270 0.750000 Cd\n0.843692 0.156308 0.403916 Cd\n0.843692 0.687385 0.403916 Cd\n0.312615 0.156308 0.403916 Cd\n0.156308 0.843692 0.596084 Cd\n0.156308 0.312615 0.596084 Cd\n0.687385 0.843692 0.596084 Cd\n0.156308 0.843692 0.903916 Cd\n0.156308 0.312615 0.903916 Cd\n0.687385 0.843692 0.903916 Cd\n0.843692 0.156308 0.096084 Cd\n0.843692 0.687385 0.096084 Cd\n0.312615 0.156308 0.096084 Cd\n",
"nsites": 36,
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"elements": [
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{
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"structure_string": "Mg20 Pd8\n1.0\n4.403402 -7.626916 0.000000\n4.403402 7.626916 0.000000\n0.000000 0.000000 8.055814\nMg Pd\n20 8\ndirect\n0.192582 0.807418 0.438367 Mg\n0.192582 0.385165 0.438367 Mg\n0.614835 0.807418 0.438367 Mg\n0.807418 0.192582 0.561633 Mg\n0.807418 0.614835 0.561633 Mg\n0.385165 0.192582 0.561633 Mg\n0.807418 0.192582 0.938367 Mg\n0.807418 0.614835 0.938367 Mg\n0.385165 0.192582 0.938367 Mg\n0.192582 0.807418 0.061633 Mg\n0.192582 0.385165 0.061633 Mg\n0.614835 0.807418 0.061633 Mg\n0.536100 0.463900 0.250000 Mg\n0.536100 0.072200 0.250000 Mg\n0.927800 0.463900 0.250000 Mg\n0.463900 0.536100 0.750000 Mg\n0.463900 0.927800 0.750000 Mg\n0.072200 0.536100 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.876182 0.123818 0.250000 Pd\n0.876182 0.752364 0.250000 Pd\n0.247636 0.123818 0.250000 Pd\n0.123818 0.876182 0.750000 Pd\n0.123818 0.247636 0.750000 Pd\n0.752364 0.876182 0.750000 Pd\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
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{
"id": "mp-1072824",
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"structure_string": "Dy2 Cu2 Sn2\n1.0\n2.258902 -3.912532 0.000000\n2.258902 3.912532 0.000000\n0.000000 0.000000 7.380942\nDy Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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{
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{
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{
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"volume": 144.18916269483933,
"volume_molar": 10.854092922685794,
"formula_full": "Pa2 Pd6",
"formula_reduced": "PaPd3",
"formula_anonymous": "AB3",
"energy": -56.29676166,
"energy_per_atom": -7.0370952075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.29676166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:08.892000Z",
"spacegroup": 194
}
]
}