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{
"id": "mp-1274129",
"created_at": "2022-09-04T14:41:54.869919Z",
"structure_string": "Sr8 Co4 Ge8 O28\n1.0\n0.014561 8.246566 5.402516\n8.291349 0.015045 -5.403203\n0.012635 8.249547 -5.406577\nSr Co Ge O\n8 4 8 28\ndirect\n0.837528 0.831741 0.497555 Sr\n0.337108 0.832722 0.999094 Sr\n0.994070 0.663783 0.837155 Sr\n0.495776 0.664574 0.337272 Sr\n0.671312 0.168455 0.993359 Sr\n0.168769 0.167533 0.495133 Sr\n0.497880 0.335618 0.670408 Sr\n0.998436 0.336410 0.169307 Sr\n0.001076 0.500655 0.498284 Co\n0.499854 0.999786 0.500421 Co\n0.499704 0.500093 0.000233 Co\n0.998893 0.999858 0.001011 Co\n0.086399 0.361144 0.771564 Ge\n0.579930 0.356159 0.274952 Ge\n0.279339 0.147599 0.082227 Ge\n0.774259 0.142152 0.582917 Ge\n0.866397 0.639760 0.274350 Ge\n0.368371 0.643248 0.776824 Ge\n0.770864 0.852248 0.868462 Ge\n0.275196 0.857742 0.368233 Ge\n0.343077 0.000443 0.157022 O\n0.843551 0.000158 0.657748 O\n0.655531 0.495472 0.345334 O\n0.158866 0.503213 0.840793 O\n0.745558 0.362149 0.112173 O\n0.251480 0.365183 0.610511 O\n0.612782 0.137335 0.748487 O\n0.119135 0.144067 0.247752 O\n0.525521 0.637322 0.617565 O\n0.024219 0.636028 0.113780 O\n0.114145 0.862535 0.524564 O\n0.608893 0.856241 0.024698 O\n0.482909 0.321264 0.943044 O\n0.973004 0.320166 0.445688 O\n0.948318 0.182398 0.968802 O\n0.441247 0.176550 0.472180 O\n0.735683 0.678798 0.837951 O\n0.234599 0.680142 0.346684 O\n0.844519 0.816938 0.234576 O\n0.350925 0.822990 0.735620 O\n0.848144 0.582279 0.472595 O\n0.340713 0.578692 0.980419 O\n0.964712 0.906805 0.857093 O\n0.473861 0.916328 0.348610 O\n0.946117 0.419895 0.732545 O\n0.441165 0.420857 0.237542 O\n0.234898 0.091346 0.944395 O\n0.735266 0.083124 0.443070 O\n",
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"elements": [
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],
"chemical_system": "Co-Ge-O-Sr",
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"volume": 739.2908012173529,
"volume_molar": 9.275235973966831,
"formula_full": "Sr8 Co4 Ge8 O28",
"formula_reduced": "Sr2CoGe2O7",
"formula_anonymous": "AB2C2D7",
"energy": -338.07992322,
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"band_gap": 2.3492,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.475000Z",
"spacegroup": 82
},
{
"id": "mp-1642632",
"created_at": "2022-09-04T14:46:55.348107Z",
"structure_string": "Sr4 Co4 Ge8 O24\n1.0\n-4.979905 4.680974 -4.139425\n-5.009247 -4.708427 -4.135679\n-5.045002 -4.712882 6.974139\nSr Co Ge O\n4 4 8 24\ndirect\n0.193578 0.179114 0.623414 Sr\n0.197548 0.681600 0.124347 Sr\n0.806048 0.318730 0.875007 Sr\n0.803404 0.820640 0.374387 Sr\n0.590682 0.285012 0.125742 Co\n0.407468 0.217581 0.374264 Co\n0.590209 0.783227 0.624533 Co\n0.407352 0.717217 0.874162 Co\n0.125019 0.988954 0.325255 Ge\n0.120738 0.495035 0.819874 Ge\n0.879487 0.505338 0.177944 Ge\n0.875141 0.008543 0.677581 Ge\n0.682411 0.950392 0.930285 Ge\n0.685711 0.450133 0.424366 Ge\n0.317358 0.547438 0.570170 Ge\n0.314904 0.052385 0.074520 Ge\n0.871171 0.971356 0.866013 O\n0.880765 0.465946 0.367377 O\n0.125922 0.530491 0.632066 O\n0.122852 0.033920 0.134148 O\n0.164882 0.737689 0.381018 O\n0.162962 0.243493 0.884239 O\n0.837471 0.756709 0.117683 O\n0.835066 0.259009 0.615459 O\n0.313801 0.010564 0.462872 O\n0.305270 0.523952 0.954781 O\n0.689296 0.480609 0.042299 O\n0.687327 0.983451 0.541326 O\n0.520894 0.897287 0.796497 O\n0.525679 0.400019 0.287108 O\n0.478989 0.600546 0.704136 O\n0.474762 0.106117 0.209956 O\n0.880359 0.607281 0.793025 O\n0.889261 0.101539 0.304444 O\n0.115312 0.894067 0.705371 O\n0.118857 0.395604 0.202774 O\n0.595720 0.663347 0.446344 O\n0.598848 0.163185 0.956975 O\n0.406865 0.839254 0.052704 O\n0.400609 0.333224 0.545533 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Ge-O-Sr",
"density": 4.931221246828507,
"density_atomic": 0.07657102206799471,
"volume": 522.390832977,
"volume_molar": 7.8647778198028595,
"formula_full": "Sr4 Co4 Ge8 O24",
"formula_reduced": "SrCo(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -281.90735479,
"energy_per_atom": -7.04768386975,
"energy_above_hull": null,
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"energy_uncorrected": -258.86735479,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.590000Z",
"spacegroup": 2
},
{
"id": "mp-1218568",
"created_at": "2022-09-04T14:39:48.489326Z",
"structure_string": "Sr4 Co1 Ir3 O12\n1.0\n5.601788 0.000000 0.000000\n-0.013529 5.662679 0.000000\n-0.005395 -0.043462 7.952489\nSr Co Ir O\n4 1 3 12\ndirect\n0.504075 0.463752 0.758805 Sr\n0.987526 0.958291 0.759942 Sr\n0.495925 0.536248 0.241195 Sr\n0.012474 0.041709 0.240058 Sr\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.777007 0.212028 0.972231 O\n0.700616 0.701713 0.536424 O\n0.202853 0.795543 0.461027 O\n0.291304 0.278612 0.033517 O\n0.222993 0.787972 0.027769 O\n0.299384 0.298287 0.463576 O\n0.797147 0.204457 0.538973 O\n0.708696 0.721388 0.966483 O\n0.423259 0.015694 0.750462 O\n0.056843 0.508352 0.741810 O\n0.576741 0.984306 0.249538 O\n0.943157 0.491648 0.258190 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Ir",
"O"
],
"chemical_system": "Co-Ir-O-Sr",
"density": 7.754676949887071,
"density_atomic": 0.07928267707741228,
"volume": 252.26191568268854,
"volume_molar": 7.595783823142009,
"formula_full": "Sr4 Co1 Ir3 O12",
"formula_reduced": "Sr4Co(IrO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -140.93586237,
"energy_per_atom": -7.0467931185,
"energy_above_hull": null,
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"energy_uncorrected": -131.05386237,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:44.677000Z",
"spacegroup": 2
},
{
"id": "mp-560723",
"created_at": "2022-09-04T14:41:13.314632Z",
"structure_string": "Sr2 Co1 Mo1 O6\n1.0\n-2.740162 2.740162 4.165154\n2.740162 -2.740162 4.165154\n2.740162 2.740162 -4.165154\nSr Co Mo O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Mo\n0.265669 0.265669 0.000000 O\n0.250196 0.250196 0.500392 O\n0.749804 0.749804 0.499608 O\n0.734331 0.734331 0.000000 O\n0.250196 0.749804 0.000000 O\n0.749804 0.250196 0.000000 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Co-Mo-O-Sr",
"density": 5.656227613837702,
"density_atomic": 0.07993858686261424,
"volume": 125.0960317473014,
"volume_molar": 7.533459116996778,
"formula_full": "Sr2 Co1 Mo1 O6",
"formula_reduced": "Sr2CoMoO6",
"formula_anonymous": "ABC2D6",
"energy": -75.5296458,
"energy_per_atom": -7.552964579999999,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:25.586000Z",
"spacegroup": 139
},
{
"id": "mp-18805",
"created_at": "2022-09-04T14:41:05.347669Z",
"structure_string": "Sr2 Co1 Mo1 O6\n1.0\n-2.780232 2.780232 3.937287\n2.780232 -2.780232 3.937287\n2.780232 2.780232 -3.937287\nSr Co Mo O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Mo\n0.252250 0.252250 0.000000 O\n0.286946 0.215931 0.502877 O\n0.215931 0.713054 0.928985 O\n0.784069 0.286946 0.071015 O\n0.747750 0.747750 0.000000 O\n0.713054 0.784069 0.497123 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Co",
"Mo",
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],
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"density": 5.812343486645455,
"density_atomic": 0.08214494825948314,
"volume": 121.7360313918703,
"volume_molar": 7.331115166056216,
"formula_full": "Sr2 Co1 Mo1 O6",
"formula_reduced": "Sr2CoMoO6",
"formula_anonymous": "ABC2D6",
"energy": -75.47342618,
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"energy_above_hull": null,
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"energy_uncorrected": -66.51142618,
"band_gap": 0.4449000000000005,
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"updated_at": "2021-11-28T01:34:57.737000Z",
"spacegroup": 87
},
{
"id": "mp-510546",
"created_at": "2022-09-04T14:40:57.089035Z",
"structure_string": "Sr4 Co2 Mo2 O12\n1.0\n-3.234449 4.627381 0.002578\n-1.693980 -4.622804 8.486067\n1.680782 4.620010 2.824915\nSr Co Mo O\n4 2 2 12\ndirect\n0.250236 0.375584 0.875020 Sr\n0.250030 0.875623 0.375062 Sr\n0.749970 0.124378 0.624938 Sr\n0.749764 0.624417 0.124980 Sr\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.499978 0.249990 0.250008 Mo\n0.500022 0.750010 0.749992 Mo\n0.258256 0.129414 0.611936 O\n0.258086 0.629429 0.112182 O\n0.257331 0.128646 0.129685 O\n0.256992 0.628470 0.629474 O\n0.743008 0.371530 0.370527 O\n0.742668 0.871354 0.870315 O\n0.741915 0.370571 0.887819 O\n0.741745 0.870585 0.388064 O\n0.258488 0.371713 0.369910 O\n0.257857 0.871846 0.870421 O\n0.742143 0.128155 0.129578 O\n0.741512 0.628287 0.630091 O\n",
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"elements": [
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],
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"formula_full": "Sr4 Co2 Mo2 O12",
"formula_reduced": "Sr2CoMoO6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:22.238000Z",
"spacegroup": 225
},
{
"id": "mp-1079403",
"created_at": "2022-09-04T14:40:07.628769Z",
"structure_string": "Sr2 Co1 Os1 O6\n1.0\n-2.778961 2.778961 4.089595\n2.778961 -2.778961 4.089595\n2.778961 2.778961 -4.089595\nSr Co Os O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Os\n0.262358 0.262358 0.000000 O\n0.737642 0.737642 0.000000 O\n0.288605 0.222950 0.511555 O\n0.711395 0.777050 0.488445 O\n0.222950 0.711395 0.934345 O\n0.777050 0.288605 0.065655 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.840389804811199,
"density_atomic": 0.0791579983302594,
"volume": 126.32962190729553,
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"formula_full": "Sr2 Co1 Os1 O6",
"formula_reduced": "Sr2CoOsO6",
"formula_anonymous": "ABC2D6",
"energy": -73.84025093000001,
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"updated_at": "2021-11-28T01:34:54.697000Z",
"spacegroup": 87
},
{
"id": "mp-18659",
"created_at": "2022-09-04T14:39:20.799112Z",
"structure_string": "Sr2 Co4 P4 O16\n1.0\n4.946873 0.005150 -1.132574\n-1.292071 7.863876 -3.589781\n0.009906 0.061066 9.425262\nSr Co P O\n2 4 4 16\ndirect\n0.223589 0.736010 0.050556 Sr\n0.776411 0.263990 0.949444 Sr\n0.846886 0.089133 0.301526 Co\n0.387603 0.608198 0.413480 Co\n0.612397 0.391801 0.586520 Co\n0.153115 0.910867 0.698474 Co\n0.890992 0.719596 0.306289 P\n0.109008 0.280404 0.693711 P\n0.686886 0.789030 0.808157 P\n0.313114 0.210969 0.191843 P\n0.983706 0.880498 0.287836 O\n0.016294 0.119502 0.712164 O\n0.963941 0.565843 0.175574 O\n0.036059 0.434157 0.824426 O\n0.583165 0.706094 0.302025 O\n0.416835 0.293906 0.697975 O\n0.072680 0.730870 0.471741 O\n0.927321 0.269130 0.528259 O\n0.572656 0.631547 0.638259 O\n0.427343 0.368452 0.361741 O\n0.998461 0.167401 0.164180 O\n0.001539 0.832598 0.835820 O\n0.448779 0.060265 0.205772 O\n0.638787 0.742762 0.940573 O\n0.361213 0.257237 0.059427 O\n0.551221 0.939735 0.794228 O\n",
"nsites": 26,
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"elements": [
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"P",
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],
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"density": 3.568788668838147,
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"volume": 367.98227790932526,
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"formula_full": "Sr2 Co4 P4 O16",
"formula_reduced": "SrCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -199.59032857,
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"spacegroup": 2
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{
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