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{
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"results": [
{
"id": "mp-1228945",
"created_at": "2022-09-04T14:39:05.821108Z",
"structure_string": "Al2 Cr2 Ge2\n1.0\n0.000000 4.106624 4.306512\n2.382370 0.000000 4.306512\n2.382370 4.106624 0.000000\nAl Cr Ge\n2 2 2\ndirect\n0.077861 0.422139 0.077861 Al\n0.422139 0.077861 0.422139 Al\n0.750000 0.750000 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.669343 0.330657 0.669343 Ge\n0.330657 0.669343 0.330657 Ge\n",
"nsites": 6,
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"elements": [
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"Cr",
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],
"chemical_system": "Al-Cr-Ge",
"density": 5.97556550535159,
"density_atomic": 0.07120351617110007,
"volume": 84.26550151796108,
"volume_molar": 8.457645189219257,
"formula_full": "Al2 Cr2 Ge2",
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"spacegroup": 22
},
{
"id": "mp-1289222",
"created_at": "2022-09-04T14:39:07.786733Z",
"structure_string": "Mg4 Fe2 Ir2 O12\n1.0\n5.140021 0.000019 -0.019152\n0.000022 5.321160 0.000435\n-0.013280 0.000620 7.583000\nMg Fe Ir O\n4 2 2 12\ndirect\n0.010914 0.940206 0.247814 Mg\n0.489066 0.440194 0.252213 Mg\n0.510933 0.559805 0.747787 Mg\n0.989086 0.059793 0.752186 Mg\n0.000002 0.500006 0.999993 Fe\n0.500003 0.000002 0.500005 Fe\n0.999999 0.499999 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.134338 0.430446 0.745620 O\n0.182226 0.184908 0.069855 O\n0.176944 0.188521 0.427291 O\n0.323077 0.688567 0.072702 O\n0.317756 0.684919 0.430157 O\n0.365678 0.930462 0.754394 O\n0.634322 0.069537 0.245606 O\n0.682243 0.315081 0.569843 O\n0.676922 0.311433 0.927298 O\n0.817774 0.815090 0.930145 O\n0.823056 0.811478 0.572710 O\n0.865661 0.569553 0.254379 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Fe",
"Ir",
"O"
],
"chemical_system": "Fe-Ir-Mg-O",
"density": 6.287755064700875,
"density_atomic": 0.0964318648435096,
"volume": 207.4003238707056,
"volume_molar": 6.244969720094886,
"formula_full": "Mg4 Fe2 Ir2 O12",
"formula_reduced": "Mg2FeIrO6",
"formula_anonymous": "ABC2D6",
"energy": -140.46338608000002,
"energy_per_atom": -7.023169304000001,
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"energy_uncorrected": -127.70738608,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.822000Z",
"spacegroup": 14
},
{
"id": "mp-1349240",
"created_at": "2022-09-04T14:39:06.046774Z",
"structure_string": "Sr1 La9 Mg1 Ga9 O29\n1.0\n-5.557385 0.000000 0.000000\n2.779578 4.843774 0.000000\n-0.069573 -3.085289 -22.839976\nSr La Mg Ga O\n1 9 1 9 29\ndirect\n0.609866 0.940228 0.154084 Sr\n0.200912 0.652321 0.045484 La\n0.401411 0.551926 0.348562 La\n0.036310 0.224760 0.256007 La\n0.198060 0.156748 0.551570 La\n0.801830 0.844134 0.446953 La\n0.996661 0.757142 0.750798 La\n0.600985 0.445216 0.647435 La\n0.786946 0.361585 0.948976 La\n0.400024 0.046428 0.847826 La\n0.267102 0.619226 0.202825 Mg\n0.934629 0.283316 0.094853 Ga\n0.702099 0.899613 0.298580 Ga\n0.500431 0.499656 0.499522 Ga\n0.099760 0.199473 0.401854 Ga\n0.299675 0.100729 0.699687 Ga\n0.899258 0.800593 0.599377 Ga\n0.099823 0.700356 0.899086 Ga\n0.698744 0.400719 0.799160 Ga\n0.503646 0.995687 0.000984 Ga\n0.664803 0.681542 0.066217 O\n0.651681 0.215445 0.046246 O\n0.494104 0.290762 0.262863 O\n0.487242 0.789179 0.241738 O\n0.155058 0.218113 0.034031 O\n0.424590 0.992677 0.355609 O\n0.103452 0.393416 0.159070 O\n0.287084 0.900620 0.467343 O\n0.107124 0.904807 0.131090 O\n0.266865 0.412174 0.441231 O\n0.978890 0.826085 0.249755 O\n0.238251 0.584707 0.559471 O\n0.931806 0.991135 0.362174 O\n0.083782 0.499854 0.666935 O\n0.921779 0.499388 0.336413 O\n0.062948 0.013613 0.641528 O\n0.762397 0.419416 0.441721 O\n0.038182 0.185696 0.759799 O\n0.737215 0.584194 0.560032 O\n0.881324 0.099620 0.866122 O\n0.718634 0.098475 0.533470 O\n0.861289 0.613187 0.842265 O\n0.563512 0.014887 0.641134 O\n0.837544 0.792056 0.960248 O\n0.537515 0.184578 0.759358 O\n0.518091 0.700176 0.733627 O\n0.362348 0.615176 0.840188 O\n0.338124 0.787091 0.956966 O\n0.326111 0.301712 0.933210 O\n",
"nsites": 49,
"nelements": 5,
"elements": [
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"La",
"Mg",
"Ga",
"O"
],
"chemical_system": "Ga-La-Mg-O-Sr",
"density": 6.626687012320859,
"density_atomic": 0.07969775364466879,
"volume": 614.8228495682042,
"volume_molar": 7.55622396441639,
"formula_full": "Sr1 La9 Mg1 Ga9 O29",
"formula_reduced": "SrLa9MgGa9O29",
"formula_anonymous": "ABC9D9E29",
"energy": -189.50677936,
"energy_per_atom": -3.8674852930612245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -169.58377936,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.2101419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.276000Z",
"spacegroup": 1
},
{
"id": "mp-1188542",
"created_at": "2022-09-04T14:39:06.626096Z",
"structure_string": "Sr1 Fe4 Sb12\n1.0\n-4.610443 4.610443 4.610443\n4.610443 -4.610443 4.610443\n4.610443 4.610443 -4.610443\nSr Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.336217 0.173387 0.837170 Sb\n0.663783 0.826613 0.162830 Sb\n0.663783 0.500954 0.837170 Sb\n0.336217 0.499046 0.162830 Sb\n0.173387 0.837170 0.336217 Sb\n0.826613 0.162830 0.663783 Sb\n0.500954 0.837170 0.663783 Sb\n0.499046 0.162830 0.336217 Sb\n0.837170 0.336217 0.173387 Sb\n0.162830 0.663783 0.826613 Sb\n0.837170 0.663783 0.500954 Sb\n0.162830 0.336217 0.499046 Sb\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Sr",
"density": 7.506789914367834,
"density_atomic": 0.043367157647721255,
"volume": 392.0017110204425,
"volume_molar": 13.88640871721146,
"formula_full": "Sr1 Fe4 Sb12",
"formula_reduced": "Sr(FeSb3)4",
"formula_anonymous": "AB4C12",
"energy": -90.3431816,
"energy_per_atom": -5.3143047999999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -88.0391816,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9080047,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.211000Z",
"spacegroup": 204
},
{
"id": "mp-1180142",
"created_at": "2022-09-04T14:39:05.824624Z",
"structure_string": "Mn2 C2 O6\n1.0\n3.922889 4.219185 0.000000\n-3.922889 4.219185 0.000000\n0.000000 0.908663 5.677634\nMn C O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.675128 0.324872 0.750000 C\n0.324872 0.675128 0.250000 C\n0.920974 0.800731 0.782161 O\n0.530074 0.469926 0.750000 O\n0.199269 0.079026 0.717839 O\n0.079026 0.199269 0.217839 O\n0.469926 0.530074 0.250000 O\n0.800731 0.920974 0.282161 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"C",
"O"
],
"chemical_system": "C-Mn-O",
"density": 2.0311619376949506,
"density_atomic": 0.053206908193081784,
"volume": 187.94551947486113,
"volume_molar": 11.31834373488935,
"formula_full": "Mn2 C2 O6",
"formula_reduced": "MnCO3",
"formula_anonymous": "ABC3",
"energy": -76.15902367,
"energy_per_atom": -7.6159023669999995,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -68.70102367,
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"updated_at": "2021-11-28T01:34:29.310000Z",
"spacegroup": 15
},
{
"id": "mp-1517190",
"created_at": "2022-09-04T14:39:06.631256Z",
"structure_string": "Eu2 Y1 Sb1 O6\n1.0\n-0.000000 -4.193838 -4.193838\n4.193838 0.000000 -4.193838\n4.193838 -4.193838 -0.000000\nEu Y Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 -0.000000 Sb\n0.762818 0.237182 0.237182 O\n0.237182 0.762818 0.762818 O\n0.762818 0.237182 0.762818 O\n0.237182 0.762818 0.237182 O\n0.762818 0.762818 0.237182 O\n0.237182 0.237182 0.762818 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Y",
"Sb",
"O"
],
"chemical_system": "Eu-O-Sb-Y",
"density": 6.8728048973272395,
"density_atomic": 0.06778522670813224,
"volume": 147.52477030220354,
"volume_molar": 8.884149323465374,
"formula_full": "Eu2 Y1 Sb1 O6",
"formula_reduced": "Eu2YSbO6",
"formula_anonymous": "ABC2D6",
"energy": -90.65125677,
"energy_per_atom": -9.065125677000001,
"energy_above_hull": null,
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"energy_uncorrected": -86.52925677,
"band_gap": 0.2538999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.590000Z",
"spacegroup": 225
},
{
"id": "mp-1177679",
"created_at": "2022-09-04T14:39:07.843626Z",
"structure_string": "Li6 Fe4 Si4 O16\n1.0\n5.132060 0.000000 0.000000\n0.000000 6.559984 0.000000\n0.000000 0.156140 10.663580\nLi Fe Si O\n6 4 4 16\ndirect\n0.430101 0.883905 0.156459 Li\n0.936646 0.376425 0.336658 Li\n0.527301 0.626406 0.423736 Li\n0.569899 0.883905 0.656459 Li\n0.063354 0.376425 0.836658 Li\n0.472699 0.626406 0.923736 Li\n0.427120 0.369248 0.160356 Fe\n0.936909 0.890750 0.337091 Fe\n0.572880 0.369248 0.660356 Fe\n0.063091 0.890750 0.837091 Fe\n0.931800 0.631983 0.093829 Si\n0.439201 0.135291 0.411692 Si\n0.068200 0.631983 0.593829 Si\n0.560799 0.135291 0.911692 Si\n0.484857 0.124446 0.058638 O\n0.610397 0.634592 0.092758 O\n0.044346 0.829973 0.172876 O\n0.040432 0.427462 0.163196 O\n0.563327 0.929186 0.339795 O\n0.543718 0.349978 0.345947 O\n0.121131 0.122377 0.386249 O\n0.962197 0.651563 0.444824 O\n0.515143 0.124446 0.558638 O\n0.389603 0.634592 0.592758 O\n0.955654 0.829973 0.672876 O\n0.959568 0.427462 0.663196 O\n0.436673 0.929186 0.839795 O\n0.456282 0.349978 0.845947 O\n0.878869 0.122377 0.886249 O\n0.037803 0.651563 0.944824 O\n",
"nsites": 30,
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"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.929551219822918,
"density_atomic": 0.08356486540085395,
"volume": 359.00255276057,
"volume_molar": 7.206546353078263,
"formula_full": "Li6 Fe4 Si4 O16",
"formula_reduced": "Li3Fe2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -221.75720673,
"energy_per_atom": -7.3919068910000005,
"energy_above_hull": null,
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"band_gap": 1.6067999999999998,
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"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.216000Z",
"spacegroup": 7
},
{
"id": "mp-1175084",
"created_at": "2022-09-04T14:39:06.649240Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.430538 2.635787 0.000000\n-1.430538 2.635787 0.000000\n0.000000 1.475457 29.534099\nLi Mn Co O\n7 2 3 12\ndirect\n0.321646 0.321646 0.912261 Li\n0.011162 0.011162 0.751799 Li\n0.669574 0.669574 0.585132 Li\n0.330241 0.330241 0.415162 Li\n0.001471 0.001471 0.250950 Li\n0.667776 0.667776 0.085036 Li\n0.668055 0.668055 0.832502 Li\n0.996547 0.996547 0.001332 Mn\n0.000821 0.000821 0.500146 Mn\n0.335873 0.335873 0.665787 Co\n0.666419 0.666419 0.332903 Co\n0.333141 0.333141 0.167501 Co\n0.651640 0.651640 0.965047 O\n0.332843 0.332843 0.788814 O\n0.985514 0.985514 0.628867 O\n0.641905 0.641905 0.460873 O\n0.312671 0.312671 0.296001 O\n0.001386 0.001386 0.129814 O\n0.000470 0.000470 0.875928 O\n0.678145 0.678145 0.699816 O\n0.359200 0.359200 0.539238 O\n0.020077 0.020077 0.369766 O\n0.664023 0.664023 0.205109 O\n0.349400 0.349400 0.040218 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.931033666826035,
"density_atomic": 0.10775757501058687,
"volume": 222.7221612739714,
"volume_molar": 5.588600856513653,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -154.84305491,
"energy_per_atom": -6.451793954583334,
"energy_above_hull": null,
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"energy_uncorrected": -138.34905491,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 11.357044,
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"updated_at": "2021-11-28T01:34:31.698000Z",
"spacegroup": 8
},
{
"id": "mp-1180514",
"created_at": "2022-09-04T14:39:06.058183Z",
"structure_string": "Li1 Ti1 S2 O2\n1.0\n1.783610 2.927295 0.000000\n-1.783610 2.927295 0.000000\n0.000000 0.736980 9.601308\nLi Ti S O\n1 1 2 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.681950 0.681950 0.854176 S\n0.318050 0.318050 0.145824 S\n0.580189 0.580189 0.443878 O\n0.419811 0.419811 0.556122 O\n",
"nsites": 6,
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"elements": [
"Li",
"Ti",
"S",
"O"
],
"chemical_system": "Li-O-S-Ti",
"density": 2.4998701390821267,
"density_atomic": 0.059844530417270864,
"volume": 100.25978912633303,
"volume_molar": 10.06297604477825,
"formula_full": "Li1 Ti1 S2 O2",
"formula_reduced": "LiTi(SO)2",
"formula_anonymous": "ABC2D2",
"energy": -35.434940270000006,
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"updated_at": "2021-11-28T01:34:25.792000Z",
"spacegroup": 12
},
{
"id": "mp-1204932",
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},
{
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"formula_full": "La2 Co2 O6",
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{
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]
}