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{
"id": "mp-1189917",
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{
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{
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"created_at": "2022-09-04T14:43:12.286298Z",
"structure_string": "Dy10 Sb2 Au4\n1.0\n-4.058376 4.058376 6.497051\n4.058376 -4.058376 6.497051\n4.058376 4.058376 -6.497051\nDy Sb Au\n10 2 4\ndirect\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.514822 0.014822 0.813976 Dy\n0.200847 0.700847 0.186024 Dy\n0.014822 0.200847 0.500000 Dy\n0.700847 0.514822 0.500000 Dy\n0.485178 0.985178 0.186024 Dy\n0.799153 0.299153 0.813976 Dy\n0.985178 0.799153 0.500000 Dy\n0.299153 0.485178 0.500000 Dy\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136210 0.636210 0.772419 Au\n0.863790 0.363790 0.227581 Au\n0.636210 0.863790 0.500000 Au\n0.363790 0.136210 0.500000 Au\n",
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"formula_full": "Dy10 Sb2 Au4",
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{
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{
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{
"id": "mp-569871",
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"structure_string": "Tm6 Co1 Bi2\n1.0\n4.133707 -7.159791 0.000000\n4.133707 7.159791 0.000000\n0.000000 0.000000 4.057167\nTm Co Bi\n6 1 2\ndirect\n0.000000 0.610120 0.500000 Tm\n0.230787 0.000000 0.000000 Tm\n0.389880 0.389880 0.500000 Tm\n0.000000 0.230787 0.000000 Tm\n0.769213 0.769213 0.000000 Tm\n0.610120 0.000000 0.500000 Tm\n0.000000 0.000000 0.500000 Co\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.000000 Bi\n",
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{
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{
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{
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{
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"created_at": "2022-09-04T14:48:07.120920Z",
"structure_string": "Ce4 Sn25 Pt12\n1.0\n-6.182901 6.182901 6.182901\n6.182901 -6.182901 6.182901\n6.182901 6.182901 -6.182901\nCe Sn Pt\n4 25 12\ndirect\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Ce\n0.500000 0.000000 0.000000 Ce\n0.750241 0.627172 0.876931 Sn\n0.620138 0.373385 0.993522 Sn\n0.123069 0.750241 0.873310 Sn\n0.123069 0.249759 0.372828 Sn\n0.379862 0.373385 0.753247 Sn\n0.000000 0.000000 0.000000 Sn\n0.126690 0.876931 0.249759 Sn\n0.627172 0.876931 0.750241 Sn\n0.372828 0.123069 0.249759 Sn\n0.873310 0.123069 0.750241 Sn\n0.373385 0.753247 0.379862 Sn\n0.249759 0.126690 0.876931 Sn\n0.006478 0.379862 0.626615 Sn\n0.993522 0.620138 0.373385 Sn\n0.249759 0.372828 0.123069 Sn\n0.626615 0.246753 0.620138 Sn\n0.876931 0.249759 0.126690 Sn\n0.246753 0.620138 0.626615 Sn\n0.750241 0.873310 0.123069 Sn\n0.753247 0.379862 0.373385 Sn\n0.626615 0.006478 0.379862 Sn\n0.373385 0.993522 0.620138 Sn\n0.876931 0.750241 0.627172 Sn\n0.379862 0.626615 0.006478 Sn\n0.620138 0.626615 0.246753 Sn\n0.487022 0.319413 0.167609 Pt\n0.151804 0.319413 0.832391 Pt\n0.167609 0.848196 0.680587 Pt\n0.319413 0.167609 0.487022 Pt\n0.848196 0.680587 0.167609 Pt\n0.832391 0.512978 0.680587 Pt\n0.319413 0.832391 0.151804 Pt\n0.680587 0.167609 0.848196 Pt\n0.680587 0.832391 0.512978 Pt\n0.832391 0.151804 0.319413 Pt\n0.167609 0.487022 0.319413 Pt\n0.512978 0.680587 0.832391 Pt\n",
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{
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"id": "mp-1193848",
"created_at": "2022-09-04T14:44:04.485259Z",
"structure_string": "Zr20 Re10\n1.0\n10.222811 0.000000 0.000000\n0.000000 10.222811 0.000000\n0.000000 0.000000 5.682099\nZr Re\n20 10\ndirect\n0.898624 0.101376 0.500000 Zr\n0.101376 0.898624 0.500000 Zr\n0.398624 0.398624 0.000000 Zr\n0.601376 0.601376 0.000000 Zr\n0.965309 0.370096 0.500000 Zr\n0.034691 0.629904 0.500000 Zr\n0.465309 0.129904 0.000000 Zr\n0.534691 0.870096 0.000000 Zr\n0.370096 0.965309 0.500000 Zr\n0.629904 0.034691 0.500000 Zr\n0.129904 0.465309 0.000000 Zr\n0.870096 0.534691 0.000000 Zr\n0.681911 0.318089 0.249259 Zr\n0.318089 0.681911 0.249259 Zr\n0.181911 0.181911 0.749259 Zr\n0.818089 0.818089 0.749259 Zr\n0.318089 0.681911 0.750741 Zr\n0.681911 0.318089 0.750741 Zr\n0.818089 0.818089 0.250741 Zr\n0.181911 0.181911 0.250741 Zr\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.251549 0.430802 0.500000 Re\n0.748451 0.569198 0.500000 Re\n0.751549 0.069198 0.000000 Re\n0.248451 0.930802 0.000000 Re\n0.430802 0.251549 0.500000 Re\n0.569198 0.748451 0.500000 Re\n0.069198 0.751549 0.000000 Re\n0.930802 0.248451 0.000000 Re\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Zr",
"Re"
],
"chemical_system": "Re-Zr",
"density": 10.30907659933355,
"density_atomic": 0.05052098336514889,
"volume": 593.8126695430682,
"volume_molar": 11.920078270199074,
"formula_full": "Zr20 Re10",
"formula_reduced": "Zr2Re",
"formula_anonymous": "AB2",
"energy": -299.28664207,
"energy_per_atom": -9.976221402333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -299.28664207,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2150138,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.700000Z",
"spacegroup": 136
}
]
}