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{
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"results": [
{
"id": "mp-1076758",
"created_at": "2022-09-04T14:42:24.649836Z",
"structure_string": "Sr28 Ca4 Fe20 Co12 O80\n1.0\n0.016194 -0.004073 10.919848\n11.356973 0.006038 0.016492\n-5.678238 15.901285 -5.473188\nSr Ca Fe Co O\n28 4 20 12 80\ndirect\n0.309793 0.063141 0.608552 Sr\n0.308418 0.563969 0.608766 Sr\n0.804897 0.063139 0.608944 Sr\n0.809729 0.567224 0.109032 Sr\n0.806258 0.564444 0.609554 Sr\n0.199391 0.435944 0.389731 Sr\n0.196442 0.436757 0.891969 Sr\n0.200733 0.936114 0.388146 Sr\n0.199503 0.936162 0.893346 Sr\n0.695176 0.435979 0.390542 Sr\n0.700732 0.440039 0.892621 Sr\n0.694263 0.934768 0.389711 Sr\n0.699953 0.936902 0.893776 Sr\n0.051967 0.293435 0.109623 Sr\n0.052636 0.296394 0.608083 Sr\n0.055276 0.795249 0.609201 Sr\n0.559716 0.291728 0.109842 Sr\n0.556422 0.295611 0.608518 Sr\n0.558849 0.798142 0.110047 Sr\n0.560945 0.797468 0.608771 Sr\n0.445585 0.201861 0.387134 Sr\n0.449289 0.204327 0.892000 Sr\n0.450063 0.703679 0.387483 Sr\n0.450998 0.706884 0.893251 Sr\n0.942724 0.201383 0.388559 Sr\n0.946627 0.205341 0.893161 Sr\n0.944858 0.702244 0.389496 Sr\n0.951351 0.705998 0.894038 Sr\n0.301055 0.063219 0.105230 Ca\n0.299824 0.567418 0.105536 Ca\n0.802305 0.065204 0.104807 Ca\n0.054167 0.789129 0.105469 Ca\n0.001246 0.000963 0.498573 Fe\n0.001431 0.498351 0.499205 Fe\n0.257109 0.251989 0.005751 Fe\n0.254095 0.249637 0.499722 Fe\n0.103595 0.085973 0.245723 Fe\n0.108545 0.091078 0.750315 Fe\n0.111385 0.593324 0.250250 Fe\n0.108555 0.590702 0.750051 Fe\n0.605357 0.090022 0.250201 Fe\n0.608688 0.091401 0.751231 Fe\n0.602541 0.587928 0.245213 Fe\n0.608514 0.591467 0.750078 Fe\n0.355856 0.407512 0.245947 Fe\n0.357510 0.408978 0.749595 Fe\n0.351272 0.906587 0.244215 Fe\n0.358647 0.908271 0.749193 Fe\n0.858088 0.407429 0.250260 Fe\n0.856687 0.408042 0.746982 Fe\n0.859790 0.912948 0.249250 Fe\n0.860376 0.910715 0.752622 Fe\n0.008368 0.001540 0.006700 Co\n0.008262 0.504024 0.005803 Co\n0.507776 0.001890 0.004061 Co\n0.506711 0.001012 0.499238 Co\n0.508463 0.504122 0.005822 Co\n0.510246 0.500073 0.501554 Co\n0.258563 0.753469 0.006625 Co\n0.254190 0.747809 0.499009 Co\n0.755632 0.249829 0.001234 Co\n0.751069 0.249379 0.499439 Co\n0.760101 0.754849 0.005796 Co\n0.754643 0.750045 0.499820 Co\n0.123551 0.120858 0.491976 O\n0.126696 0.123032 0.994616 O\n0.122786 0.618124 0.490745 O\n0.128809 0.622831 0.996216 O\n0.620635 0.120575 0.492343 O\n0.624986 0.123491 0.994328 O\n0.622755 0.623083 0.491090 O\n0.626255 0.625139 0.992043 O\n0.135058 0.381864 0.013184 O\n0.130011 0.374773 0.506583 O\n0.137879 0.882245 0.017671 O\n0.139385 0.872920 0.506530 O\n0.627050 0.384839 0.008058 O\n0.628250 0.377582 0.506382 O\n0.638162 0.884741 0.013463 O\n0.637194 0.876034 0.507741 O\n0.372701 0.122594 0.490874 O\n0.376052 0.119945 0.994707 O\n0.375376 0.624659 0.492591 O\n0.381430 0.614064 0.995686 O\n0.869743 0.121183 0.491711 O\n0.875355 0.117342 0.994785 O\n0.871911 0.620649 0.491784 O\n0.880171 0.623167 0.994525 O\n0.381844 0.383107 0.013408 O\n0.380024 0.380593 0.505379 O\n0.384555 0.884679 0.012853 O\n0.391217 0.887590 0.505697 O\n0.883241 0.383658 0.010098 O\n0.876737 0.377428 0.506067 O\n0.889362 0.884533 0.017851 O\n0.884027 0.877700 0.505935 O\n0.094109 0.098832 0.141966 O\n0.079649 0.090012 0.637689 O\n0.091321 0.608217 0.145080 O\n0.078943 0.589702 0.637856 O\n0.595353 0.098892 0.145984 O\n0.583910 0.095933 0.641643 O\n0.587114 0.595307 0.138458 O\n0.581155 0.593037 0.638741 O\n0.441411 0.407116 0.356515 O\n0.440341 0.402314 0.857209 O\n0.438086 0.908146 0.355206 O\n0.442792 0.901497 0.856570 O\n0.939202 0.406898 0.361768 O\n0.942157 0.398099 0.852625 O\n0.944351 0.912699 0.361621 O\n0.943797 0.904440 0.860581 O\n0.331909 0.284553 0.139600 O\n0.330565 0.296145 0.638538 O\n0.338505 0.784370 0.141272 O\n0.333137 0.796470 0.638543 O\n0.833709 0.288358 0.144067 O\n0.822232 0.297876 0.632785 O\n0.840656 0.795232 0.144196 O\n0.837086 0.795633 0.645008 O\n0.187646 0.197572 0.357096 O\n0.192531 0.202952 0.860486 O\n0.195685 0.703986 0.360959 O\n0.192576 0.702362 0.858714 O\n0.683338 0.200064 0.364301 O\n0.690501 0.205193 0.859787 O\n0.685580 0.702574 0.352835 O\n0.693667 0.704150 0.857871 O\n0.423250 0.060053 0.240261 O\n0.431559 0.063652 0.749680 O\n0.422570 0.560254 0.239769 O\n0.432322 0.563801 0.750243 O\n0.923750 0.066196 0.242018 O\n0.933021 0.065175 0.750708 O\n0.935427 0.559477 0.249050 O\n0.932753 0.563232 0.750255 O\n0.182097 0.436895 0.248810 O\n0.180708 0.435093 0.749451 O\n0.171540 0.926678 0.241284 O\n0.182264 0.936546 0.750238 O\n0.681976 0.436812 0.249794 O\n0.682115 0.436442 0.749298 O\n0.684047 0.938063 0.251021 O\n0.683121 0.937319 0.751212 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.81432079779733,
"density_atomic": 0.07301723088941794,
"volume": 1972.137237278732,
"volume_molar": 8.247561139534755,
"formula_full": "Sr28 Ca4 Fe20 Co12 O80",
"formula_reduced": "Sr7CaFe5Co3O20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1032.11415787,
"energy_per_atom": -7.167459429652778,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -912.37815787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 133.9868638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.608000Z",
"spacegroup": 1
},
{
"id": "mp-1043615",
"created_at": "2022-09-04T14:42:24.654003Z",
"structure_string": "Mn6 Zn2 P8 O28\n1.0\n7.541915 0.000000 0.000000\n0.000000 7.529579 0.000000\n0.000000 3.938019 9.085440\nMn Zn P O\n6 2 8 28\ndirect\n0.120964 0.808352 0.524812 Mn\n0.620964 0.191648 0.975188 Mn\n0.879036 0.191648 0.475188 Mn\n0.379036 0.808352 0.024812 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.911358 0.408081 0.701636 P\n0.411358 0.591919 0.798364 P\n0.088642 0.591919 0.298364 P\n0.588642 0.408081 0.201636 P\n0.210880 0.148869 0.682701 P\n0.710880 0.851131 0.817299 P\n0.789120 0.851131 0.317299 P\n0.289120 0.148869 0.182701 P\n0.386344 0.222854 0.598751 O\n0.886344 0.777146 0.901249 O\n0.613656 0.777146 0.401249 O\n0.113656 0.222854 0.098751 O\n0.378067 0.723905 0.633436 O\n0.878067 0.276095 0.866564 O\n0.621933 0.276095 0.366564 O\n0.121933 0.723905 0.133436 O\n0.773003 0.376881 0.599587 O\n0.273003 0.623119 0.900413 O\n0.226997 0.623119 0.400413 O\n0.726997 0.376881 0.099587 O\n0.100967 0.341387 0.660041 O\n0.600967 0.658613 0.839959 O\n0.899033 0.658613 0.339959 O\n0.399033 0.341387 0.160041 O\n0.551291 0.612964 0.184459 O\n0.051291 0.387036 0.315541 O\n0.448709 0.387036 0.815541 O\n0.948709 0.612964 0.684459 O\n0.778685 0.965947 0.150570 O\n0.278685 0.034053 0.349430 O\n0.221315 0.034053 0.849430 O\n0.721315 0.965947 0.650570 O\n0.396943 0.040102 0.108172 O\n0.896943 0.959898 0.391828 O\n0.603057 0.959898 0.891828 O\n0.103057 0.040102 0.608172 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mn",
"Zn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Zn",
"density": 3.721269466431738,
"density_atomic": 0.08528141235255685,
"volume": 515.9389225181004,
"volume_molar": 7.061492761288033,
"formula_full": "Mn6 Zn2 P8 O28",
"formula_reduced": "Mn3Zn(P2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -348.38520058999995,
"energy_per_atom": -7.917845467954544,
"energy_above_hull": null,
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"energy_uncorrected": -319.14120059,
"band_gap": 2.6424000000000003,
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"total_magnetization": 30.0017658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.693000Z",
"spacegroup": 14
},
{
"id": "mp-1100728",
"created_at": "2022-09-04T14:42:24.971224Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.809633 0.000000 0.000000\n0.000000 5.116809 0.000000\n0.000000 1.560709 9.655580\nLi Mn Co O\n9 2 5 16\ndirect\n0.243639 0.259828 0.734124 Li\n0.243639 0.740172 0.265876 Li\n0.500000 0.759189 0.740005 Li\n0.500000 0.240811 0.259995 Li\n0.756361 0.259828 0.734124 Li\n0.756361 0.740172 0.265876 Li\n0.000000 0.746515 0.735885 Li\n0.000000 0.253485 0.264115 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.245170 0.500000 0.000000 Co\n0.243308 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.754830 0.500000 0.000000 Co\n0.756692 0.000000 0.500000 Co\n0.254897 0.894446 0.885403 O\n0.269729 0.361226 0.389889 O\n0.500000 0.364703 0.896160 O\n0.500000 0.846459 0.387902 O\n0.745103 0.894446 0.885403 O\n0.730271 0.361226 0.389889 O\n0.000000 0.400557 0.882781 O\n0.000000 0.892030 0.379927 O\n0.269729 0.638774 0.610111 O\n0.254897 0.105554 0.114597 O\n0.500000 0.153541 0.612098 O\n0.500000 0.635297 0.103840 O\n0.730271 0.638774 0.610111 O\n0.745103 0.105554 0.114597 O\n0.000000 0.107970 0.620073 O\n0.000000 0.599443 0.117219 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.182750924337133,
"density_atomic": 0.11148686605367536,
"volume": 287.0293258094958,
"volume_molar": 5.40165938210214,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.21531591,
"energy_per_atom": -6.4754786221875,
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"updated_at": "2021-11-28T01:35:48.161000Z",
"spacegroup": 10
},
{
"id": "mp-672275",
"created_at": "2022-09-04T14:42:18.593382Z",
"structure_string": "Ce3 Ge6 Pd20\n1.0\n0.000000 6.279102 6.279102\n6.279102 0.000000 6.279102\n6.279102 6.279102 0.000000\nCe Ge Pd\n3 6 20\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.268655 0.731345 0.268655 Ge\n0.268655 0.268655 0.731345 Ge\n0.268655 0.731345 0.731345 Ge\n0.731345 0.268655 0.731345 Ge\n0.731345 0.268655 0.268655 Ge\n0.731345 0.731345 0.268655 Ge\n0.854764 0.381745 0.381745 Pd\n0.348456 0.651544 0.000000 Pd\n0.348456 0.000000 0.000000 Pd\n0.000000 0.348456 0.651544 Pd\n0.000000 0.348456 0.000000 Pd\n0.381745 0.381745 0.381745 Pd\n0.000000 0.000000 0.348456 Pd\n0.000000 0.651544 0.000000 Pd\n0.000000 0.000000 0.651544 Pd\n0.651544 0.000000 0.348456 Pd\n0.145236 0.618255 0.618255 Pd\n0.618255 0.618255 0.618255 Pd\n0.651544 0.348456 0.000000 Pd\n0.618255 0.145236 0.618255 Pd\n0.651544 0.000000 0.000000 Pd\n0.618255 0.618255 0.145236 Pd\n0.000000 0.651544 0.348456 Pd\n0.348456 0.000000 0.651544 Pd\n0.381745 0.854764 0.381745 Pd\n0.381745 0.381745 0.854764 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Pd"
],
"chemical_system": "Ce-Ge-Pd",
"density": 10.009465256618942,
"density_atomic": 0.058570022164770204,
"volume": 495.1338402846544,
"volume_molar": 10.281950624943267,
"formula_full": "Ce3 Ge6 Pd20",
"formula_reduced": "Ce3(Ge3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy": -167.83143649,
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"energy_uncorrected": -167.83143649,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:41.993000Z",
"spacegroup": 225
},
{
"id": "mp-1193555",
"created_at": "2022-09-04T14:42:18.597341Z",
"structure_string": "Sm6 Fe23\n1.0\n-6.060923 -6.060923 0.000000\n-6.060923 0.000000 -6.060923\n0.000000 -6.060923 -6.060923\nSm Fe\n6 23\ndirect\n0.710098 0.289902 0.289902 Sm\n0.710098 0.289902 0.710098 Sm\n0.710098 0.710098 0.289902 Sm\n0.289902 0.710098 0.710098 Sm\n0.289902 0.710098 0.289902 Sm\n0.289902 0.289902 0.710098 Sm\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.633208 0.122264 0.122264 Fe\n0.122264 0.633208 0.122264 Fe\n0.122264 0.122264 0.633208 Fe\n0.122264 0.122264 0.122264 Fe\n0.366792 0.877736 0.877736 Fe\n0.877736 0.366792 0.877736 Fe\n0.877736 0.877736 0.366792 Fe\n0.877736 0.877736 0.877736 Fe\n0.031331 0.322890 0.322890 Fe\n0.322890 0.031331 0.322890 Fe\n0.322890 0.322890 0.031331 Fe\n0.322890 0.322890 0.322890 Fe\n0.968669 0.677110 0.677110 Fe\n0.677110 0.968669 0.677110 Fe\n0.677110 0.677110 0.968669 Fe\n0.677110 0.677110 0.677110 Fe\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Sm",
"Fe"
],
"chemical_system": "Fe-Sm",
"density": 8.154008364466089,
"density_atomic": 0.06512559473675042,
"volume": 445.2934382745111,
"volume_molar": 9.246964706184405,
"formula_full": "Sm6 Fe23",
"formula_reduced": "Sm6Fe23",
"formula_anonymous": "A6B23",
"energy": -222.42091374,
"energy_per_atom": -7.669686680689655,
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"updated_at": "2021-11-28T01:35:44.052000Z",
"spacegroup": 225
},
{
"id": "mp-752951",
"created_at": "2022-09-04T14:42:18.604166Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.770926 0.000000 0.000000\n0.000000 5.796183 0.000000\n0.000000 0.000000 10.156443\nLi Co Si O\n4 4 4 16\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.517256 0.750000 0.275762 Co\n0.982744 0.750000 0.775762 Co\n0.017256 0.250000 0.224238 Co\n0.482744 0.250000 0.724238 Co\n0.556144 0.250000 0.406627 Si\n0.943856 0.250000 0.906627 Si\n0.056144 0.750000 0.093373 Si\n0.443856 0.750000 0.593373 Si\n0.688860 0.250000 0.554998 O\n0.712026 0.031747 0.327727 O\n0.712026 0.468253 0.327727 O\n0.715858 0.750000 0.100981 O\n0.784142 0.750000 0.600981 O\n0.787974 0.468253 0.827727 O\n0.787974 0.031747 0.827727 O\n0.811140 0.250000 0.054998 O\n0.188860 0.750000 0.945002 O\n0.212026 0.531747 0.172273 O\n0.212026 0.968253 0.172273 O\n0.215858 0.250000 0.399019 O\n0.284142 0.250000 0.899019 O\n0.287974 0.968253 0.672273 O\n0.287974 0.531747 0.672273 O\n0.311140 0.750000 0.445002 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.7356172480289116,
"density_atomic": 0.09969459802804138,
"volume": 280.8577450919092,
"volume_molar": 6.040588837427415,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy": -200.93687501,
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"updated_at": "2021-11-28T01:35:43.852000Z",
"spacegroup": 62
},
{
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}