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{
"id": "mp-867113",
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"structure_string": "Ca2 As1 Au1\n1.0\n0.000000 3.638552 3.638552\n3.638552 0.000000 3.638552\n3.638552 3.638552 0.000000\nCa As Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "Ba2 Zn1 Os1 O6\n1.0\n0.000000 4.096322 4.096322\n4.096322 0.000000 4.096322\n4.096322 4.096322 0.000000\nBa Zn Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Os\n0.761568 0.238432 0.238432 O\n0.238432 0.761568 0.761568 O\n0.238432 0.761568 0.238432 O\n0.761568 0.238432 0.761568 O\n0.238432 0.238432 0.761568 O\n0.761568 0.761568 0.238432 O\n",
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{
"id": "mp-1195613",
"created_at": "2022-09-04T14:40:31.017260Z",
"structure_string": "Sr8 Al20 Pd16\n1.0\n4.321682 0.000000 0.000000\n0.000000 11.138561 0.000000\n0.000000 0.000000 18.309574\nSr Al Pd\n8 20 16\ndirect\n0.250000 0.166172 0.806539 Sr\n0.250000 0.333828 0.306539 Sr\n0.750000 0.833828 0.193461 Sr\n0.750000 0.666172 0.693461 Sr\n0.250000 0.739327 0.507731 Sr\n0.250000 0.760673 0.007731 Sr\n0.750000 0.260673 0.492269 Sr\n0.750000 0.239327 0.992269 Sr\n0.250000 0.857966 0.826648 Al\n0.250000 0.642034 0.326648 Al\n0.750000 0.142034 0.173352 Al\n0.750000 0.357966 0.673352 Al\n0.250000 0.044372 0.546548 Al\n0.250000 0.455628 0.046548 Al\n0.750000 0.955628 0.453452 Al\n0.750000 0.544372 0.953452 Al\n0.250000 0.928767 0.677560 Al\n0.250000 0.571233 0.177560 Al\n0.750000 0.071233 0.322440 Al\n0.750000 0.428767 0.822440 Al\n0.250000 0.452527 0.601150 Al\n0.250000 0.047473 0.101150 Al\n0.750000 0.547473 0.398850 Al\n0.750000 0.952527 0.898850 Al\n0.250000 0.608989 0.837272 Al\n0.250000 0.891011 0.337272 Al\n0.750000 0.391011 0.162728 Al\n0.750000 0.108989 0.662728 Al\n0.250000 0.435304 0.744321 Pd\n0.250000 0.064696 0.244321 Pd\n0.750000 0.564696 0.255679 Pd\n0.750000 0.935304 0.755679 Pd\n0.250000 0.419948 0.909223 Pd\n0.250000 0.080052 0.409223 Pd\n0.750000 0.580052 0.090777 Pd\n0.750000 0.919948 0.590777 Pd\n0.250000 0.224989 0.635887 Pd\n0.250000 0.275011 0.135887 Pd\n0.750000 0.775011 0.364113 Pd\n0.750000 0.724989 0.864113 Pd\n0.250000 0.015077 0.951542 Pd\n0.250000 0.484923 0.451542 Pd\n0.750000 0.984923 0.048458 Pd\n0.750000 0.515077 0.548458 Pd\n",
"nsites": 44,
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"elements": [
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"chemical_system": "Al-Pd-Sr",
"density": 5.545300462050204,
"density_atomic": 0.04992206503642668,
"volume": 881.3737966947976,
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"formula_full": "Sr8 Al20 Pd16",
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"energy": -203.87681228,
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"updated_at": "2021-11-28T01:34:57.420000Z",
"spacegroup": 62
},
{
"id": "mp-1245461",
"created_at": "2022-09-04T14:40:54.817086Z",
"structure_string": "Cd8 Ru2 N8\n1.0\n6.454560 0.283260 -0.584685\n2.676891 5.899471 0.340786\n1.032555 3.420035 8.477764\nCd Ru N\n8 2 8\ndirect\n0.863735 0.625686 0.240564 Cd\n0.136265 0.374314 0.759436 Cd\n0.746733 0.253594 0.999740 Cd\n0.253267 0.746406 0.000260 Cd\n0.647702 0.528696 0.624936 Cd\n0.352298 0.471304 0.375064 Cd\n0.152756 0.020913 0.625978 Cd\n0.847244 0.979087 0.374022 Cd\n0.696968 0.913950 0.781613 Ru\n0.303032 0.086050 0.218387 Ru\n0.918533 0.812559 0.657938 N\n0.081467 0.187441 0.342062 N\n0.841361 0.876767 0.964233 N\n0.158639 0.123233 0.035767 N\n0.538849 0.717591 0.820676 N\n0.461151 0.282409 0.179324 N\n0.525129 0.741280 0.341523 N\n0.474871 0.258720 0.658477 N\n",
"nsites": 18,
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"elements": [
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"Ru",
"N"
],
"chemical_system": "Cd-N-Ru",
"density": 6.559827946403624,
"density_atomic": 0.0585979821061128,
"volume": 307.1778131780119,
"volume_molar": 10.277044607260947,
"formula_full": "Cd8 Ru2 N8",
"formula_reduced": "Cd4RuN4",
"formula_anonymous": "AB4C4",
"energy": -85.92965438,
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"updated_at": "2021-11-28T01:34:57.419000Z",
"spacegroup": 12
},
{
"id": "mp-15576",
"created_at": "2022-09-04T14:40:55.631591Z",
"structure_string": "Dy12 Ga20 O48\n1.0\n-6.205749 6.205749 6.205749\n6.205749 -6.205749 6.205749\n6.205749 6.205749 -6.205749\nDy Ga O\n12 20 48\ndirect\n0.750000 0.625000 0.875000 Dy\n0.250000 0.875000 0.625000 Dy\n0.625000 0.250000 0.875000 Dy\n0.875000 0.750000 0.625000 Dy\n0.875000 0.625000 0.250000 Dy\n0.625000 0.875000 0.750000 Dy\n0.250000 0.375000 0.125000 Dy\n0.750000 0.125000 0.375000 Dy\n0.375000 0.750000 0.125000 Dy\n0.125000 0.250000 0.375000 Dy\n0.125000 0.375000 0.750000 Dy\n0.375000 0.125000 0.250000 Dy\n0.375000 0.625000 0.750000 Ga\n0.625000 0.375000 0.250000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.750000 0.375000 0.625000 Ga\n0.250000 0.625000 0.375000 Ga\n0.750000 0.875000 0.125000 Ga\n0.125000 0.750000 0.875000 Ga\n0.375000 0.250000 0.625000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.528793 0.405299 0.822617 O\n0.822617 0.528793 0.405299 O\n0.793824 0.876506 0.971207 O\n0.417318 0.094701 0.623494 O\n0.876506 0.405299 0.082682 O\n0.677383 0.082682 0.706176 O\n0.822617 0.793824 0.417318 O\n0.405299 0.822617 0.528793 O\n0.623494 0.706176 0.528793 O\n0.417318 0.822617 0.793824 O\n0.405299 0.082682 0.876506 O\n0.094701 0.971207 0.677383 O\n0.971207 0.677383 0.094701 O\n0.793824 0.417318 0.822617 O\n0.528793 0.623494 0.706176 O\n0.706176 0.528793 0.623494 O\n0.082682 0.876506 0.405299 O\n0.971207 0.793824 0.876506 O\n0.082682 0.706176 0.677383 O\n0.376506 0.293824 0.471207 O\n0.623494 0.417318 0.094701 O\n0.094701 0.623494 0.417318 O\n0.706176 0.677383 0.082682 O\n0.677383 0.094701 0.971207 O\n0.471207 0.594701 0.177383 O\n0.177383 0.471207 0.594701 O\n0.206176 0.123494 0.028793 O\n0.582682 0.905299 0.376506 O\n0.123494 0.594701 0.917318 O\n0.322617 0.917318 0.293824 O\n0.177383 0.206176 0.582682 O\n0.594701 0.177383 0.471207 O\n0.322617 0.905299 0.028793 O\n0.293824 0.322617 0.917318 O\n0.905299 0.376506 0.582682 O\n0.123494 0.028793 0.206176 O\n0.376506 0.582682 0.905299 O\n0.917318 0.293824 0.322617 O\n0.028793 0.206176 0.123494 O\n0.917318 0.123494 0.594701 O\n0.293824 0.471207 0.376506 O\n0.471207 0.376506 0.293824 O\n0.206176 0.582682 0.177383 O\n0.028793 0.322617 0.905299 O\n0.905299 0.028793 0.322617 O\n0.594701 0.917318 0.123494 O\n0.582682 0.177383 0.206176 O\n0.876506 0.971207 0.793824 O\n",
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"density": 7.143402700071862,
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"volume": 955.9663584745152,
"volume_molar": 7.196204965697687,
"formula_full": "Dy12 Ga20 O48",
"formula_reduced": "Dy3Ga5O12",
"formula_anonymous": "A3B5C12",
"energy": -591.36272803,
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"spacegroup": 230
},
{
"id": "mp-862559",
"created_at": "2022-09-04T14:40:25.167433Z",
"structure_string": "La1 Cd3\n1.0\n0.000000 3.722178 3.722178\n3.722178 0.000000 3.722178\n3.722178 3.722178 0.000000\nLa Cd\n1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n",
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"formula_full": "La1 Cd3",
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{
"id": "mp-1340716",
"created_at": "2022-09-04T14:40:32.836747Z",
"structure_string": "Li5 Co3 Sb2 O10\n1.0\n5.255972 0.000000 0.000000\n-1.056679 5.180288 0.000000\n-1.859028 -2.762367 7.371091\nLi Co Sb O\n5 3 2 10\ndirect\n0.838474 0.506570 0.392842 Li\n0.616291 0.492800 0.803208 Li\n0.000000 0.000000 0.500000 Li\n0.383709 0.507200 0.196792 Li\n0.161526 0.493430 0.607158 Li\n0.000000 0.500000 0.000000 Co\n0.821397 0.995688 0.908743 Co\n0.178603 0.004312 0.091257 Co\n0.413305 0.004377 0.699937 Sb\n0.586695 0.995623 0.300063 Sb\n0.232659 0.243286 0.824530 O\n0.406528 0.754340 0.931965 O\n0.592053 0.781834 0.545786 O\n0.968962 0.246888 0.246236 O\n0.785597 0.237306 0.657031 O\n0.214403 0.762694 0.342969 O\n0.031038 0.753112 0.753764 O\n0.407947 0.218166 0.454214 O\n0.593472 0.245660 0.068035 O\n0.767341 0.756714 0.175470 O\n",
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"formula_full": "Li5 Co3 Sb2 O10",
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{
"id": "mp-1217338",
"created_at": "2022-09-04T14:40:53.051094Z",
"structure_string": "Ti4 Cr8 Cu6 Se24\n1.0\n5.230109 5.230406 0.000000\n-5.230109 5.230406 0.000000\n0.000000 4.906181 15.682121\nTi Cr Cu Se\n4 8 6 24\ndirect\n0.165551 0.666029 0.666457 Ti\n0.834449 0.333971 0.333543 Ti\n0.333971 0.834449 0.833543 Ti\n0.666029 0.165551 0.166457 Ti\n0.500000 0.000000 0.000000 Cr\n0.666166 0.667372 0.666576 Cr\n0.333834 0.332628 0.333424 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.332628 0.333834 0.833424 Cr\n0.000000 0.000000 0.500000 Cr\n0.667372 0.666166 0.166576 Cr\n0.790692 0.541418 0.917613 Cu\n0.458582 0.209308 0.582387 Cu\n0.126204 0.873796 0.250000 Cu\n0.541418 0.790692 0.417613 Cu\n0.209308 0.458582 0.082387 Cu\n0.873796 0.126204 0.750000 Cu\n0.416895 0.904503 0.669630 Se\n0.083496 0.568324 0.338458 Se\n0.748497 0.233822 0.003308 Se\n0.416449 0.427571 0.671505 Se\n0.083028 0.093115 0.338300 Se\n0.746840 0.764121 0.005816 Se\n0.095497 0.583105 0.830370 Se\n0.766178 0.251503 0.496692 Se\n0.431676 0.916504 0.161542 Se\n0.572429 0.583551 0.828495 Se\n0.235879 0.253160 0.494184 Se\n0.906885 0.916972 0.161700 Se\n0.916504 0.431676 0.661542 Se\n0.583105 0.095497 0.330370 Se\n0.251503 0.766178 0.996692 Se\n0.916972 0.906885 0.661700 Se\n0.583551 0.572429 0.328495 Se\n0.253160 0.235879 0.994184 Se\n0.233822 0.748497 0.503308 Se\n0.904503 0.416895 0.169630 Se\n0.568324 0.083496 0.838458 Se\n0.764121 0.746840 0.505816 Se\n0.427571 0.416449 0.171505 Se\n0.093115 0.083028 0.838300 Se\n",
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{
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