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{
"id": "mp-1028042",
"created_at": "2022-09-04T14:40:11.428503Z",
"structure_string": "Na1 Y1 Mg14\n1.0\n6.564149 0.016718 0.000000\n-3.267596 5.659641 0.000000\n0.000000 0.000000 10.417714\nNa Y Mg\n1 1 14\ndirect\n0.169952 0.834976 0.125000 Na\n0.166697 0.333348 0.125000 Y\n0.166241 0.333120 0.625000 Mg\n0.166850 0.833425 0.625000 Mg\n0.660874 0.324540 0.125000 Mg\n0.667026 0.333688 0.625000 Mg\n0.660874 0.836333 0.125000 Mg\n0.667026 0.833337 0.625000 Mg\n0.336716 0.169710 0.381921 Mg\n0.336716 0.169710 0.868079 Mg\n0.336716 0.667007 0.381921 Mg\n0.336716 0.667007 0.868079 Mg\n0.832867 0.166434 0.378018 Mg\n0.832867 0.166434 0.871982 Mg\n0.830931 0.665466 0.375623 Mg\n0.830931 0.665466 0.874377 Mg\n",
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{
"id": "mp-1194083",
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"structure_string": "Hf8 Fe8 Ge14\n1.0\n0.000000 0.000000 5.145931\n-6.680283 6.680283 2.572966\n-6.680283 -6.680283 2.572966\nHf Fe Ge\n8 8 14\ndirect\n0.139635 0.000000 0.720730 Hf\n0.860365 0.000000 0.279270 Hf\n0.860365 0.279270 0.000000 Hf\n0.139635 0.720730 0.000000 Hf\n0.500000 0.194921 0.805079 Hf\n0.500000 0.805079 0.194921 Hf\n0.305079 0.194921 0.194921 Hf\n0.694921 0.805079 0.805079 Hf\n0.398795 0.500000 0.202410 Fe\n0.101205 0.500000 0.797590 Fe\n0.101205 0.797590 0.500000 Fe\n0.398795 0.202410 0.500000 Fe\n0.601205 0.797590 0.500000 Fe\n0.898795 0.202410 0.500000 Fe\n0.898795 0.500000 0.202410 Fe\n0.601205 0.500000 0.797590 Fe\n0.293795 0.000000 0.412410 Ge\n0.706205 0.000000 0.587590 Ge\n0.706205 0.587590 0.000000 Ge\n0.293795 0.412410 0.000000 Ge\n0.000000 0.290316 0.709684 Ge\n0.000000 0.709684 0.290316 Ge\n0.709684 0.290316 0.290316 Ge\n0.290316 0.709684 0.709684 Ge\n0.500000 0.406274 0.593726 Ge\n0.500000 0.593726 0.406274 Ge\n0.093726 0.406274 0.406274 Ge\n0.906274 0.593726 0.593726 Ge\n0.751250 0.000000 0.000000 Ge\n0.248750 0.000000 0.000000 Ge\n",
"nsites": 30,
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"density": 10.454653529042007,
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"formula_full": "Hf8 Fe8 Ge14",
"formula_reduced": "Hf4Fe4Ge7",
"formula_anonymous": "A4B4C7",
"energy": -226.86371946,
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"updated_at": "2021-11-28T01:34:56.868000Z",
"spacegroup": 139
},
{
"id": "mp-18556",
"created_at": "2022-09-04T14:40:07.240771Z",
"structure_string": "Rb8 Cd12 S16\n1.0\n6.724729 0.000000 0.000000\n0.000000 10.761839 0.000000\n0.000000 0.000000 14.466816\nRb Cd S\n8 12 16\ndirect\n0.021478 0.750000 0.465684 Rb\n0.521478 0.250000 0.034316 Rb\n0.978522 0.250000 0.534316 Rb\n0.478522 0.750000 0.965684 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.322525 0.906057 0.252947 Cd\n0.822525 0.093943 0.247053 Cd\n0.677475 0.406057 0.747053 Cd\n0.177475 0.593943 0.752947 Cd\n0.677475 0.093943 0.747053 Cd\n0.177475 0.906057 0.752947 Cd\n0.322525 0.593943 0.252947 Cd\n0.822525 0.406057 0.247053 Cd\n0.740517 0.750000 0.707284 Cd\n0.240517 0.250000 0.792716 Cd\n0.259483 0.250000 0.292716 Cd\n0.759483 0.750000 0.207284 Cd\n0.608052 0.962041 0.141363 S\n0.108052 0.037959 0.358637 S\n0.391948 0.462041 0.858637 S\n0.891948 0.537959 0.641363 S\n0.391948 0.037959 0.858637 S\n0.891948 0.962041 0.641363 S\n0.608052 0.537959 0.141363 S\n0.108052 0.462041 0.358637 S\n0.956020 0.750000 0.855950 S\n0.456020 0.250000 0.644050 S\n0.043980 0.250000 0.144050 S\n0.543980 0.750000 0.355950 S\n0.883472 0.250000 0.846059 S\n0.616528 0.250000 0.346059 S\n0.116528 0.750000 0.153941 S\n0.383472 0.750000 0.653941 S\n",
"nsites": 36,
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"elements": [
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"Cd",
"S"
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"chemical_system": "Cd-Rb-S",
"density": 4.03761161309216,
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"volume": 1046.9699958012504,
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"formula_full": "Rb8 Cd12 S16",
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"formula_anonymous": "A2B3C4",
"energy": -123.35745988,
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"spacegroup": 62
},
{
"id": "mp-31514",
"created_at": "2022-09-04T14:40:34.581778Z",
"structure_string": "Ba3 Nb2 Co1 O9\n1.0\n-2.938664 -5.080944 -0.000714\n-2.923347 5.072148 -0.004930\n-0.006978 0.002960 -7.191103\nBa Nb Co O\n3 2 1 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.332416 0.665827 0.665023 Ba\n0.667584 0.334173 0.334977 Ba\n0.333397 0.666820 0.177818 Nb\n0.666603 0.333180 0.822182 Nb\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.170788 0.827953 0.325235 O\n0.170649 0.341929 0.326223 O\n0.656580 0.827869 0.325028 O\n0.829212 0.172047 0.674765 O\n0.829352 0.658071 0.673777 O\n0.343420 0.172131 0.674972 O\n",
"nsites": 15,
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"elements": [
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"Co",
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"chemical_system": "Ba-Co-Nb-O",
"density": 6.213289887592736,
"density_atomic": 0.07009422825897071,
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"volume_molar": 8.59149306523577,
"formula_full": "Ba3 Nb2 Co1 O9",
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"formula_anonymous": "AB2C3D9",
"energy": -122.92023703,
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{
"id": "mp-12055",
"created_at": "2022-09-04T14:40:01.782139Z",
"structure_string": "La1 Cd2\n1.0\n2.576757 -4.463073 0.000000\n2.576757 4.463073 0.000000\n0.000000 0.000000 3.555149\nLa Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 3,
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"density": 7.386350998958096,
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"volume": 81.7702372410648,
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"formula_full": "La1 Cd2",
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"energy": -7.87751297,
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"spacegroup": 191
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{
"id": "mp-1037955",
"created_at": "2022-09-04T14:40:32.894570Z",
"structure_string": "Mg30 Al1 B1 O32\n1.0\n8.508406 0.000000 0.000000\n0.000000 8.508406 0.000000\n0.000000 0.000000 8.524085\nMg Al B O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.248058 0.253450 Mg\n0.000000 0.248058 0.746550 Mg\n0.000000 0.751942 0.253450 Mg\n0.000000 0.751942 0.746550 Mg\n0.500000 0.249585 0.251249 Mg\n0.500000 0.249585 0.748751 Mg\n0.500000 0.750415 0.251249 Mg\n0.500000 0.750415 0.748751 Mg\n0.248058 0.000000 0.253450 Mg\n0.248058 0.000000 0.746550 Mg\n0.249585 0.500000 0.251249 Mg\n0.249585 0.500000 0.748751 Mg\n0.751942 0.000000 0.253450 Mg\n0.751942 0.000000 0.746550 Mg\n0.750415 0.500000 0.251249 Mg\n0.750415 0.500000 0.748751 Mg\n0.249966 0.249966 0.000000 Mg\n0.248082 0.248082 0.500000 Mg\n0.249966 0.750034 0.000000 Mg\n0.248082 0.751918 0.500000 Mg\n0.750034 0.249966 0.000000 Mg\n0.751918 0.248082 0.500000 Mg\n0.750034 0.750034 0.000000 Mg\n0.751918 0.751918 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 B\n0.238153 0.000000 0.000000 O\n0.262253 0.000000 0.500000 O\n0.248320 0.500000 0.000000 O\n0.251543 0.500000 0.500000 O\n0.761847 0.000000 0.000000 O\n0.737747 0.000000 0.500000 O\n0.751680 0.500000 0.000000 O\n0.748457 0.500000 0.500000 O\n0.249146 0.249146 0.249832 O\n0.249146 0.249146 0.750168 O\n0.249146 0.750854 0.249832 O\n0.249146 0.750854 0.750168 O\n0.750854 0.249146 0.249832 O\n0.750854 0.249146 0.750168 O\n0.750854 0.750854 0.249832 O\n0.750854 0.750854 0.750168 O\n0.000000 0.000000 0.219714 O\n0.000000 0.000000 0.780286 O\n0.000000 0.500000 0.245243 O\n0.000000 0.500000 0.754757 O\n0.500000 0.000000 0.245243 O\n0.500000 0.000000 0.754757 O\n0.500000 0.500000 0.248452 O\n0.500000 0.500000 0.751548 O\n0.000000 0.238153 0.000000 O\n0.000000 0.262253 0.500000 O\n0.000000 0.761847 0.000000 O\n0.000000 0.737747 0.500000 O\n0.500000 0.248320 0.000000 O\n0.500000 0.251543 0.500000 O\n0.500000 0.751680 0.000000 O\n0.500000 0.748457 0.500000 O\n",
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{
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"structure_string": "Sr2 Be26\n1.0\n0.000000 5.195941 5.195941\n5.195941 0.000000 5.195941\n5.195941 5.195941 0.000000\nSr Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.565240 0.786100 0.434760 Be\n0.286100 0.065240 0.934760 Be\n0.065240 0.286100 0.713900 Be\n0.713900 0.065240 0.286100 Be\n0.286100 0.934760 0.713900 Be\n0.065240 0.934760 0.286100 Be\n0.713900 0.286100 0.934760 Be\n0.434760 0.565240 0.786100 Be\n0.786100 0.434760 0.565240 Be\n0.565240 0.213900 0.786100 Be\n0.565240 0.434760 0.213900 Be\n0.786100 0.213900 0.434760 Be\n0.213900 0.565240 0.434760 Be\n0.213900 0.786100 0.565240 Be\n0.434760 0.786100 0.213900 Be\n0.934760 0.286100 0.065240 Be\n0.934760 0.713900 0.286100 Be\n0.286100 0.713900 0.065240 Be\n0.934760 0.065240 0.713900 Be\n0.713900 0.934760 0.065240 Be\n0.065240 0.713900 0.934760 Be\n0.786100 0.565240 0.213900 Be\n0.434760 0.213900 0.565240 Be\n0.213900 0.434760 0.786100 Be\n",
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{
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