{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10255","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10253","results":[{"id":"mp-757383","created_at":"2022-09-04T14:40:19.604167Z","structure_string":"Li8 Si8 Bi8 O32\n1.0\n5.355390 0.000000 0.000000\n0.000000 10.575098 0.000000\n0.000000 0.000000 14.877356\nLi Si Bi O\n8 8 8 32\ndirect\n0.051958 0.028412 0.248019 Li\n0.548724 0.212332 0.996963 Li\n0.548724 0.287668 0.496963 Li\n0.051958 0.471588 0.748019 Li\n0.948042 0.528412 0.248019 Li\n0.451276 0.712332 0.996963 Li\n0.451276 0.787668 0.496963 Li\n0.948042 0.971588 0.748019 Li\n0.443769 0.034207 0.625178 Si\n0.068958 0.215569 0.871675 Si\n0.068958 0.284431 0.371675 Si\n0.443769 0.465793 0.125178 Si\n0.556231 0.534207 0.625178 Si\n0.931042 0.715569 0.871675 Si\n0.931042 0.784431 0.371675 Si\n0.556231 0.965793 0.125178 Si\n0.940772 0.032108 0.498612 Bi\n0.556480 0.212228 0.248444 Bi\n0.556480 0.287772 0.748444 Bi\n0.940772 0.467892 0.998612 Bi\n0.059228 0.532108 0.498612 Bi\n0.443520 0.712228 0.248444 Bi\n0.443520 0.787772 0.748444 Bi\n0.059228 0.967892 0.998612 Bi\n0.847442 0.009557 0.136153 O\n0.559429 0.966294 0.532617 O\n0.408909 0.016504 0.216655 O\n0.032983 0.061240 0.862681 O\n0.491943 0.186868 0.612814 O\n0.904226 0.238874 0.460682 O\n0.971921 0.288876 0.779792 O\n0.365933 0.252193 0.884115 O\n0.365933 0.247807 0.384115 O\n0.971921 0.211124 0.279792 O\n0.904226 0.261126 0.960682 O\n0.491943 0.313132 0.112814 O\n0.032983 0.438760 0.362681 O\n0.408909 0.483496 0.716655 O\n0.559429 0.533706 0.032617 O\n0.847442 0.490443 0.636153 O\n0.152558 0.509557 0.136153 O\n0.440571 0.466294 0.532617 O\n0.591091 0.516504 0.216655 O\n0.967017 0.561240 0.862681 O\n0.508057 0.686868 0.612814 O\n0.095774 0.738874 0.460682 O\n0.028079 0.788876 0.779792 O\n0.634067 0.752193 0.884115 O\n0.634067 0.747807 0.384115 O\n0.028079 0.711124 0.279792 O\n0.095774 0.761126 0.960682 O\n0.508057 0.813132 0.112814 O\n0.967017 0.938760 0.362681 O\n0.591091 0.983496 0.716655 O\n0.440571 0.033706 0.032617 O\n0.152558 0.990443 0.636153 O\n","nsites":56,"nelements":4,"elements":["Li","Si","Bi","O"],"chemical_system":"Bi-Li-O-Si","density":4.8561812384998815,"density_atomic":0.06646404480810057,"volume":842.5608185852508,"volume_molar":9.06074972925215,"formula_full":"Li8 Si8 Bi8 O32","formula_reduced":"LiSiBiO4","formula_anonymous":"ABCD4","energy":-386.25863632,"energy_per_atom":-6.897475648571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-364.27463632,"band_gap":3.0935,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.830000Z","spacegroup":29},{"id":"mp-758705","created_at":"2022-09-04T14:40:19.607945Z","structure_string":"Li4 Fe8 B8 O24\n1.0\n-5.240520 0.031478 -0.002746\n-0.093209 9.154807 -0.089246\n-2.503074 4.390736 -10.134460\nLi Fe B O\n4 8 8 24\ndirect\n0.967800 0.961435 0.406610 Li\n0.709182 0.731282 0.905642 Li\n0.517637 0.495236 0.654171 Li\n0.236830 0.249294 0.155089 Li\n0.983599 0.641068 0.375947 Fe\n0.739101 0.072879 0.882446 Fe\n0.507126 0.851408 0.631990 Fe\n0.767942 0.436332 0.127850 Fe\n0.224635 0.559896 0.877674 Fe\n0.476544 0.153354 0.384691 Fe\n0.035360 0.336714 0.630313 Fe\n0.248635 0.931416 0.128234 Fe\n0.978749 0.305623 0.375507 B\n0.735624 0.399606 0.873693 B\n0.537672 0.185773 0.634059 B\n0.757818 0.112799 0.128806 B\n0.470195 0.816335 0.380877 B\n0.235962 0.897059 0.876411 B\n0.009688 0.681870 0.625700 B\n0.269521 0.596436 0.126774 B\n0.972757 0.902417 0.880210 O\n0.887367 0.285707 0.847194 O\n0.838766 0.496080 0.927397 O\n0.869604 0.814960 0.619331 O\n0.914263 0.566291 0.596013 O\n0.754571 0.149133 0.687782 O\n0.745184 0.326768 0.329658 O\n0.494625 0.422237 0.849096 O\n0.385459 0.791446 0.828549 O\n0.565575 0.934683 0.424234 O\n0.611626 0.693812 0.385014 O\n0.369105 0.985193 0.920901 O\n0.640102 0.028588 0.075908 O\n0.408417 0.315650 0.626136 O\n0.455739 0.082187 0.579594 O\n0.596856 0.220359 0.171789 O\n0.540014 0.599201 0.106645 O\n0.252720 0.670897 0.663053 O\n0.232128 0.844780 0.344373 O\n0.059570 0.403810 0.423617 O\n0.124484 0.180410 0.362327 O\n0.149406 0.485106 0.091914 O\n0.128667 0.697634 0.170781 O\n0.007705 0.101169 0.144487 O\n","nsites":44,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.241675699326321,"density_atomic":0.09089551170499041,"volume":484.0723064831405,"volume_molar":6.62534447195303,"formula_full":"Li4 Fe8 B8 O24","formula_reduced":"LiFe2(BO3)2","formula_anonymous":"AB2C2D6","energy":-346.59946202,"energy_per_atom":-7.877260500454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.06346202,"band_gap":0.7990999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":36.0002336,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.159000Z","spacegroup":1},{"id":"mp-1173749","created_at":"2022-09-04T14:40:19.624574Z","structure_string":"Na8 Al6 Si6 O25\n1.0\n6.317383 -6.350765 0.000000\n6.317383 6.350765 0.000000\n-0.066940 0.000000 8.957514\nNa Al Si O\n8 6 6 25\ndirect\n0.844024 0.156045 0.155847 Na\n0.873595 0.873595 0.873595 Na\n0.700459 0.306344 0.698431 Na\n0.698431 0.700459 0.306344 Na\n0.306344 0.698431 0.700459 Na\n0.190392 0.190392 0.190392 Na\n0.156045 0.155847 0.844024 Na\n0.155847 0.844024 0.156045 Na\n0.005620 0.252815 0.502086 Al\n0.752818 0.503695 0.001782 Al\n0.503695 0.001782 0.752818 Al\n0.502086 0.005620 0.252815 Al\n0.252815 0.502086 0.005620 Al\n0.001782 0.752818 0.503695 Al\n0.001948 0.500783 0.251962 Si\n0.754013 0.003354 0.504304 Si\n0.504304 0.754013 0.003354 Si\n0.500783 0.251962 0.001948 Si\n0.251962 0.001948 0.500783 Si\n0.003354 0.504304 0.754013 Si\n0.938052 0.636807 0.356946 O\n0.941006 0.365986 0.649320 O\n0.860917 0.438542 0.151362 O\n0.863808 0.566067 0.853636 O\n0.852850 0.143187 0.441282 O\n0.853636 0.863808 0.566067 O\n0.653914 0.065840 0.644038 O\n0.649320 0.941006 0.365986 O\n0.636807 0.356946 0.938052 O\n0.644038 0.653914 0.065840 O\n0.567999 0.149352 0.137096 O\n0.566067 0.853636 0.863808 O\n0.438542 0.151362 0.860917 O\n0.441282 0.852850 0.143187 O\n0.358658 0.348102 0.064303 O\n0.365986 0.649320 0.941006 O\n0.348102 0.064303 0.358658 O\n0.356946 0.938052 0.636807 O\n0.149352 0.137096 0.567999 O\n0.151362 0.860917 0.438542 O\n0.137096 0.567999 0.149352 O\n0.143187 0.441282 0.852850 O\n0.064303 0.358658 0.348102 O\n0.065840 0.644038 0.653914 O\n0.031039 0.031039 0.031039 O\n","nsites":45,"nelements":4,"elements":["Na","Al","Si","O"],"chemical_system":"Al-Na-O-Si","density":2.1123196260505632,"density_atomic":0.06260827994470662,"volume":718.7547723678462,"volume_molar":9.618760913602063,"formula_full":"Na8 Al6 Si6 O25","formula_reduced":"Na8Al6Si6O25","formula_anonymous":"A6B6C8D25","energy":-325.4940873,"energy_per_atom":-7.23320194,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.3190873,"band_gap":1.8673,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0611062,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.897000Z","spacegroup":146},{"id":"mp-1079802","created_at":"2022-09-04T14:39:16.450273Z","structure_string":"Y2 Ni2 Ge4\n1.0\n2.047265 -8.313818 0.000000\n2.047265 8.313818 0.000000\n0.000000 0.000000 4.207474\nY Ni Ge\n2 2 4\ndirect\n0.892442 0.107558 0.250000 Y\n0.107558 0.892442 0.750000 Y\n0.679441 0.320559 0.250000 Ni\n0.320559 0.679441 0.750000 Ni\n0.541557 0.458443 0.250000 Ge\n0.458443 0.541557 0.750000 Ge\n0.252514 0.747486 0.250000 Ge\n0.747486 0.252514 0.750000 Ge\n","nsites":8,"nelements":3,"elements":["Y","Ni","Ge"],"chemical_system":"Ge-Ni-Y","density":6.791124391882274,"density_atomic":0.055855246857833225,"volume":143.22736806377694,"volume_molar":10.781692139554917,"formula_full":"Y2 Ni2 Ge4","formula_reduced":"YNiGe2","formula_anonymous":"ABC2","energy":-48.60216117,"energy_per_atom":-6.07527014625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.60216117,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002856,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.244000Z","spacegroup":63},{"id":"mp-1112900","created_at":"2022-09-04T14:39:16.549153Z","structure_string":"Cs2 Tl1 Hg1 Br6\n1.0\n0.000000 5.769247 5.769247\n5.769247 0.000000 5.769247\n5.769247 5.769247 0.000000\nCs Tl Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.745695 0.254305 0.254305 Br\n0.254305 0.254305 0.745695 Br\n0.254305 0.745695 0.745695 Br\n0.254305 0.745695 0.254305 Br\n0.745695 0.254305 0.745695 Br\n0.745695 0.745695 0.254305 Br\n","nsites":10,"nelements":4,"elements":["Cs","Tl","Hg","Br"],"chemical_system":"Br-Cs-Hg-Tl","density":4.97322563915858,"density_atomic":0.02603829875465876,"volume":384.0496683067977,"volume_molar":23.128011613748466,"formula_full":"Cs2 Tl1 Hg1 Br6","formula_reduced":"Cs2TlHgBr6","formula_anonymous":"ABC2D6","energy":-28.11207118,"energy_per_atom":-2.811207118,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.90807118,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003247,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.191000Z","spacegroup":225},{"id":"mp-581987","created_at":"2022-09-04T14:39:16.453704Z","structure_string":"Dy2 Zn40 Rh4\n1.0\n0.000000 7.240237 7.240237\n7.240237 0.000000 7.240237\n7.240237 7.240237 0.000000\nDy Zn Rh\n2 40 4\ndirect\n0.750000 0.750000 0.750000 Dy\n0.500000 0.500000 0.500000 Dy\n0.568383 0.301186 0.301186 Zn\n0.420756 0.948814 0.681617 Zn\n0.948814 0.681617 0.420756 Zn\n0.948814 0.420756 0.948814 Zn\n0.948814 0.948814 0.681617 Zn\n0.301186 0.829244 0.568383 Zn\n0.625000 0.125000 0.625000 Zn\n0.829244 0.301186 0.301186 Zn\n0.137939 0.137939 0.862061 Zn\n0.568383 0.829244 0.301186 Zn\n0.625000 0.625000 0.125000 Zn\n0.387939 0.112061 0.387939 Zn\n0.387939 0.112061 0.112061 Zn\n0.862061 0.137939 0.137939 Zn\n0.387939 0.387939 0.112061 Zn\n0.948814 0.420756 0.681617 Zn\n0.112061 0.387939 0.387939 Zn\n0.681617 0.420756 0.948814 Zn\n0.420756 0.948814 0.948814 Zn\n0.829244 0.301186 0.568383 Zn\n0.948814 0.681617 0.948814 Zn\n0.301186 0.568383 0.829244 Zn\n0.420756 0.681617 0.948814 Zn\n0.137939 0.862061 0.862061 Zn\n0.681617 0.948814 0.948814 Zn\n0.829244 0.568383 0.301186 Zn\n0.681617 0.948814 0.420756 Zn\n0.125000 0.625000 0.625000 Zn\n0.301186 0.301186 0.568383 Zn\n0.862061 0.862061 0.137939 Zn\n0.862061 0.137939 0.862061 Zn\n0.301186 0.829244 0.301186 Zn\n0.112061 0.387939 0.112061 Zn\n0.112061 0.112061 0.387939 Zn\n0.301186 0.301186 0.829244 Zn\n0.137939 0.862061 0.137939 Zn\n0.625000 0.625000 0.625000 Zn\n0.301186 0.568383 0.301186 Zn\n0.948814 0.948814 0.420756 Zn\n0.568383 0.301186 0.829244 Zn\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n","nsites":46,"nelements":3,"elements":["Dy","Zn","Rh"],"chemical_system":"Dy-Rh-Zn","density":7.334862488614553,"density_atomic":0.060599562459312105,"volume":759.0813882672078,"volume_molar":9.93759775748117,"formula_full":"Dy2 Zn40 Rh4","formula_reduced":"Dy(Zn10Rh)2","formula_anonymous":"AB2C20","energy":-100.28099127000002,"energy_per_atom":-2.1800215493478263,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.28099127000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0580542,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.120000Z","spacegroup":227},{"id":"mp-850919","created_at":"2022-09-04T14:39:16.456895Z","structure_string":"Li6 Mn3 Cr6 O18\n1.0\n4.430032 6.479744 0.000000\n-4.430032 6.479744 0.000000\n0.000000 1.431550 5.801672\nLi Mn Cr O\n6 3 6 18\ndirect\n0.498321 0.165525 0.831418 Li\n0.165525 0.498321 0.831418 Li\n0.501679 0.834475 0.168582 Li\n0.834475 0.501679 0.168582 Li\n0.168248 0.831752 0.500000 Li\n0.831752 0.168248 0.500000 Li\n0.165297 0.834703 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.834703 0.165297 0.000000 Mn\n0.496286 0.167811 0.333497 Cr\n0.833794 0.833794 0.332961 Cr\n0.167811 0.496286 0.333497 Cr\n0.503714 0.832189 0.666503 Cr\n0.832189 0.503714 0.666503 Cr\n0.166206 0.166206 0.667039 Cr\n0.993239 0.993239 0.224558 O\n0.657077 0.000289 0.560462 O\n0.000289 0.657077 0.560462 O\n0.006761 0.006761 0.775442 O\n0.673877 0.016053 0.097613 O\n0.016053 0.673877 0.097613 O\n0.342923 0.999711 0.439538 O\n0.677135 0.677135 0.429328 O\n0.999711 0.342923 0.439538 O\n0.326123 0.983947 0.902387 O\n0.651894 0.651894 0.912234 O\n0.983947 0.326123 0.902387 O\n0.325972 0.666025 0.218380 O\n0.666025 0.325972 0.218380 O\n0.322865 0.322865 0.570672 O\n0.333975 0.674028 0.781620 O\n0.674028 0.333975 0.781620 O\n0.348106 0.348106 0.087766 O\n","nsites":33,"nelements":4,"elements":["Li","Mn","Cr","O"],"chemical_system":"Cr-Li-Mn-O","density":4.020367046156845,"density_atomic":0.09907545158716045,"volume":333.0794810555937,"volume_molar":6.0783379369228445,"formula_full":"Li6 Mn3 Cr6 O18","formula_reduced":"Li2MnCr2O6","formula_anonymous":"AB2C2D6","energy":-259.72973105,"energy_per_atom":-7.870597910606061,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-230.36573105,"band_gap":0.5196999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.0005578,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.220000Z","spacegroup":12},{"id":"mp-1213567","created_at":"2022-09-04T14:39:16.466322Z","structure_string":"Dy2 Zr12 P18 O72\n1.0\n4.472189 -7.746059 0.000000\n4.472189 7.746059 0.000000\n0.000000 0.000000 22.948678\nDy Zr P O\n2 12 18 72\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.528460 Zr\n0.666667 0.333333 0.471540 Zr\n0.666667 0.333333 0.971540 Zr\n0.333333 0.666667 0.028460 Zr\n0.000000 0.000000 0.649325 Zr\n0.000000 0.000000 0.350675 Zr\n0.000000 0.000000 0.850675 Zr\n0.000000 0.000000 0.149325 Zr\n0.333333 0.666667 0.812837 Zr\n0.666667 0.333333 0.187163 Zr\n0.666667 0.333333 0.687163 Zr\n0.333333 0.666667 0.312837 Zr\n0.373467 0.318688 0.578966 P\n0.626533 0.681312 0.421034 P\n0.681312 0.054778 0.578966 P\n0.318688 0.373467 0.921034 P\n0.318688 0.945222 0.421034 P\n0.681312 0.626533 0.078966 P\n0.945222 0.626533 0.578966 P\n0.054778 0.681312 0.921034 P\n0.054778 0.373467 0.421034 P\n0.945222 0.318688 0.078966 P\n0.626533 0.945222 0.921034 P\n0.373467 0.054778 0.078966 P\n0.291732 0.000000 0.750000 P\n0.708268 0.000000 0.250000 P\n0.000000 0.291732 0.750000 P\n0.000000 0.708268 0.250000 P\n0.708268 0.708268 0.750000 P\n0.291732 0.291732 0.250000 P\n0.454860 0.283041 0.525786 O\n0.545140 0.716959 0.474214 O\n0.716959 0.171819 0.525786 O\n0.283041 0.454860 0.974214 O\n0.283041 0.828181 0.474214 O\n0.716959 0.545140 0.025786 O\n0.828181 0.545140 0.525786 O\n0.171819 0.716959 0.974214 O\n0.171819 0.454860 0.474214 O\n0.828181 0.283041 0.025786 O\n0.545140 0.828181 0.974214 O\n0.454860 0.171819 0.025786 O\n0.375668 0.491273 0.574610 O\n0.624332 0.508727 0.425390 O\n0.508727 0.884395 0.574610 O\n0.491273 0.375668 0.925390 O\n0.491273 0.115605 0.425390 O\n0.508727 0.624332 0.074610 O\n0.115605 0.624332 0.574610 O\n0.884395 0.508727 0.925390 O\n0.884395 0.375668 0.425390 O\n0.115605 0.491273 0.074610 O\n0.624332 0.115605 0.925390 O\n0.375668 0.884395 0.074610 O\n0.177284 0.167830 0.578382 O\n0.822716 0.832170 0.421618 O\n0.832170 0.009454 0.578382 O\n0.167830 0.177284 0.921618 O\n0.167830 0.990546 0.421618 O\n0.832170 0.822716 0.078382 O\n0.990546 0.822716 0.578382 O\n0.009454 0.832170 0.921618 O\n0.009454 0.177284 0.421618 O\n0.990546 0.167830 0.078382 O\n0.822716 0.990546 0.921618 O\n0.177284 0.009454 0.078382 O\n0.030854 0.204843 0.696010 O\n0.969146 0.795157 0.303990 O\n0.795157 0.826011 0.696010 O\n0.204843 0.030854 0.803990 O\n0.204843 0.173989 0.303990 O\n0.795157 0.969146 0.196010 O\n0.173989 0.969146 0.696010 O\n0.826011 0.795157 0.803990 O\n0.826011 0.030854 0.303990 O\n0.173989 0.204843 0.196010 O\n0.969146 0.173989 0.803990 O\n0.030854 0.826011 0.196010 O\n0.460856 0.313529 0.635680 O\n0.539144 0.686471 0.364320 O\n0.686471 0.147327 0.635680 O\n0.313529 0.460856 0.864320 O\n0.313529 0.852673 0.364320 O\n0.686471 0.539144 0.135680 O\n0.852673 0.539144 0.635680 O\n0.147327 0.686471 0.864320 O\n0.147327 0.460856 0.364320 O\n0.852673 0.313529 0.135680 O\n0.539144 0.852673 0.864320 O\n0.460856 0.147327 0.135680 O\n0.468171 0.159079 0.740030 O\n0.531829 0.840921 0.259970 O\n0.840921 0.309092 0.740030 O\n0.159079 0.468171 0.759970 O\n0.159079 0.690908 0.259970 O\n0.840921 0.531829 0.240030 O\n0.690908 0.531829 0.740030 O\n0.309092 0.840921 0.759970 O\n0.309092 0.468171 0.259970 O\n0.690908 0.159079 0.240030 O\n0.531829 0.690908 0.759970 O\n0.468171 0.309092 0.240030 O\n","nsites":104,"nelements":4,"elements":["Dy","Zr","P","O"],"chemical_system":"Dy-O-P-Zr","density":3.2680597412788734,"density_atomic":0.06541008623669844,"volume":1589.968856235059,"volume_molar":9.206746400253587,"formula_full":"Dy2 Zr12 P18 O72","formula_reduced":"DyZr6(PO4)9","formula_anonymous":"AB6C9D36","energy":-902.46761412,"energy_per_atom":-8.677573212692307,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-853.00361412,"band_gap":3.6918,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0488921,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.012000Z","spacegroup":165},{"id":"mp-757123","created_at":"2022-09-04T14:39:16.472604Z","structure_string":"Li4 V4 Si4 O16\n1.0\n0.000150 5.432026 0.000326\n-2.419191 0.000408 7.850758\n8.496116 0.000235 0.154620\nLi V Si O\n4 4 4 16\ndirect\n0.845689 0.969897 0.073676 Li\n0.154216 0.969903 0.573638 Li\n0.340656 0.503035 0.283903 Li\n0.659396 0.502937 0.783799 Li\n0.661456 0.863640 0.701488 V\n0.833965 0.368469 0.388609 V\n0.338518 0.863610 0.201441 V\n0.166175 0.368419 0.888588 V\n0.663155 0.247215 0.010793 Si\n0.336927 0.247197 0.510758 Si\n0.836200 0.740690 0.326497 Si\n0.163727 0.740650 0.826422 Si\n0.174009 0.884314 0.007168 O\n0.825868 0.884357 0.507184 O\n0.383445 0.324302 0.051025 O\n0.616629 0.324210 0.550943 O\n0.688090 0.814743 0.190934 O\n0.311879 0.814751 0.690835 O\n0.127569 0.700990 0.271501 O\n0.872273 0.700861 0.771442 O\n0.782305 0.214592 0.178122 O\n0.217888 0.214525 0.678089 O\n0.694848 0.570798 0.346276 O\n0.305161 0.570735 0.846217 O\n0.180369 0.381712 0.436550 O\n0.819692 0.381625 0.936455 O\n0.310042 0.054733 0.387567 O\n0.689854 0.054689 0.887682 O\n","nsites":28,"nelements":4,"elements":["Li","V","Si","O"],"chemical_system":"Li-O-Si-V","density":2.7338720195459287,"density_atomic":0.07684851385287296,"volume":364.3531747875594,"volume_molar":7.836378946155593,"formula_full":"Li4 V4 Si4 O16","formula_reduced":"LiVSiO4","formula_anonymous":"ABCD4","energy":-222.00192066,"energy_per_atom":-7.928640023571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.20992066,"band_gap":1.9155,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0047437,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.560000Z","spacegroup":7},{"id":"mp-768320","created_at":"2022-09-04T14:39:16.474281Z","structure_string":"Li1 La5 Ti8 O24\n1.0\n3.896685 7.785632 0.000000\n-3.896685 7.785632 0.000000\n0.000000 3.888695 7.854881\nLi La Ti O\n1 5 8 24\ndirect\n0.507550 0.507550 0.000384 Li\n0.377140 0.377140 0.501312 La\n0.124538 0.124538 0.498067 La\n0.872128 0.872128 0.502155 La\n0.751214 0.751214 0.000206 La\n0.626477 0.626477 0.498520 La\n0.563399 0.069832 0.239889 Ti\n0.683945 0.189644 0.760218 Ti\n0.189644 0.683945 0.760218 Ti\n0.938765 0.428894 0.759620 Ti\n0.818482 0.308648 0.240218 Ti\n0.069832 0.563399 0.239889 Ti\n0.428894 0.938765 0.759620 Ti\n0.308648 0.818482 0.240218 Ti\n0.675636 0.189940 0.268222 O\n0.630443 0.107829 0.999988 O\n0.576045 0.055123 0.735626 O\n0.305873 0.305873 0.274961 O\n0.057204 0.057204 0.273223 O\n0.195571 0.195571 0.722770 O\n0.442603 0.442603 0.732466 O\n0.924824 0.441842 0.264562 O\n0.847625 0.408424 0.000037 O\n0.189940 0.675636 0.268222 O\n0.815209 0.319225 0.731085 O\n0.055123 0.576045 0.735626 O\n0.107829 0.630443 0.999988 O\n0.993468 0.506175 0.499701 O\n0.748137 0.250777 0.500252 O\n0.937288 0.937288 0.732598 O\n0.561549 0.561549 0.267651 O\n0.804783 0.804783 0.261562 O\n0.693733 0.693733 0.735289 O\n0.506175 0.993468 0.499701 O\n0.441842 0.924824 0.264562 O\n0.250777 0.748137 0.500252 O\n0.408424 0.847625 0.000037 O\n0.319225 0.815209 0.731085 O\n","nsites":38,"nelements":4,"elements":["Li","La","Ti","O"],"chemical_system":"La-Li-O-Ti","density":5.116013988536158,"density_atomic":0.07973056083843065,"volume":476.6052013230509,"volume_molar":7.553114761356713,"formula_full":"Li1 La5 Ti8 O24","formula_reduced":"LiLa5Ti8O24","formula_anonymous":"AB5C8D24","energy":-346.07425809,"energy_per_atom":-9.107217318157895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-329.58625809,"band_gap":1.9374,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001919,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.309000Z","spacegroup":8},{"id":"mp-18781","created_at":"2022-09-04T14:39:16.613363Z","structure_string":"Cr2 Cd2 O8\n1.0\n2.875569 -4.475080 0.000000\n2.875569 4.475080 0.000000\n0.000000 0.000000 7.113416\nCr Cd O\n2 2 8\ndirect\n0.642907 0.357093 0.250000 Cr\n0.357093 0.642907 0.750000 Cr\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.709106 0.778070 0.750000 O\n0.290894 0.221930 0.250000 O\n0.778070 0.709106 0.250000 O\n0.221930 0.290894 0.750000 O\n0.252068 0.747932 0.938588 O\n0.747932 0.252068 0.438588 O\n0.747932 0.252068 0.061412 O\n0.252068 0.747932 0.561412 O\n","nsites":12,"nelements":3,"elements":["Cr","Cd","O"],"chemical_system":"Cd-Cr-O","density":4.143347223210554,"density_atomic":0.06554633999480373,"volume":183.0765836956162,"volume_molar":9.187607973957682,"formula_full":"Cr2 Cd2 O8","formula_reduced":"CrCdO4","formula_anonymous":"ABC4","energy":-80.38544956,"energy_per_atom":-6.698787463333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.89144956,"band_gap":2.2913,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002598,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.119000Z","spacegroup":63},{"id":"mp-1179557","created_at":"2022-09-04T14:39:16.469002Z","structure_string":"Sm2 Mo8 O45\n1.0\n-9.318503 0.000000 0.000000\n-0.018434 -10.387600 0.000000\n3.950698 0.770160 10.019508\nSm Mo O\n2 8 45\ndirect\n0.637921 0.198368 0.790997 Sm\n0.362079 0.801632 0.209003 Sm\n0.188039 0.255691 0.664904 Mo\n0.811961 0.744309 0.335096 Mo\n0.365304 0.342135 0.464431 Mo\n0.634696 0.657865 0.535569 Mo\n0.951625 0.445591 0.752293 Mo\n0.048375 0.554409 0.247707 Mo\n0.180002 0.584571 0.594304 Mo\n0.819998 0.415429 0.405696 Mo\n0.452852 0.980382 0.591734 O\n0.547148 0.019618 0.408266 O\n0.771413 0.006647 0.845820 O\n0.228587 0.993353 0.154180 O\n0.640641 0.018885 0.523168 O\n0.359359 0.981115 0.476832 O\n0.636432 0.121749 0.029579 O\n0.363568 0.878251 0.970421 O\n0.698107 0.392958 0.943314 O\n0.301893 0.607042 0.056686 O\n0.593592 0.485875 0.926152 O\n0.406408 0.514125 0.073848 O\n0.379903 0.203303 0.762554 O\n0.620097 0.796697 0.237446 O\n0.524810 0.261541 0.583094 O\n0.475190 0.738459 0.416906 O\n0.833228 0.310856 0.764505 O\n0.166772 0.689144 0.235495 O\n0.070403 0.122547 0.642887 O\n0.929597 0.877453 0.357113 O\n0.144327 0.357271 0.808827 O\n0.855673 0.642729 0.191173 O\n0.210947 0.239372 0.491233 O\n0.789053 0.760628 0.508767 O\n0.311508 0.447769 0.654738 O\n0.688492 0.552231 0.345262 O\n0.355471 0.277603 0.311022 O\n0.644529 0.722397 0.688978 O\n0.500000 0.500000 0.500000 O\n0.948934 0.551582 0.879792 O\n0.051066 0.448418 0.120208 O\n0.003382 0.383202 0.564767 O\n0.996618 0.616798 0.435233 O\n0.092331 0.604190 0.717918 O\n0.907669 0.395810 0.282082 O\n0.212307 0.492236 0.407165 O\n0.787693 0.507764 0.592835 O\n0.295067 0.721171 0.624085 O\n0.704933 0.278829 0.375915 O\n0.647513 0.599688 0.952124 O\n0.352487 0.400312 0.047876 O\n0.110742 0.867028 0.864393 O\n0.889258 0.132972 0.135607 O\n0.242040 0.897383 0.863336 O\n0.757960 0.102617 0.136664 O\n","nsites":55,"nelements":3,"elements":["Sm","Mo","O"],"chemical_system":"Mo-O-Sm","density":3.0616855311831705,"density_atomic":0.05670938350692391,"volume":969.8571311974287,"volume_molar":10.619302111201279,"formula_full":"Sm2 Mo8 O45","formula_reduced":"Sm2Mo8O45","formula_anonymous":"A2B8C45","energy":-368.73498182,"energy_per_atom":-6.704272396727272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-343.11898182,"band_gap":0.0146999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.8643603,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.053000Z","spacegroup":2}]}