{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10172","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10170","results":[{"id":"mp-769580","created_at":"2022-09-04T14:40:58.952648Z","structure_string":"V6 P4 O16\n1.0\n5.316673 -0.002966 -0.162032\n-0.003860 8.536521 0.022133\n0.379711 0.020087 7.829281\nV P O\n6 4 16\ndirect\n0.000581 0.998916 0.999930 V\n0.499198 0.499923 0.500312 V\n0.891847 0.357838 0.113868 V\n0.108158 0.643369 0.886256 V\n0.390727 0.144161 0.613602 V\n0.608858 0.855712 0.385730 V\n0.036788 0.696514 0.300859 P\n0.463511 0.196728 0.199649 P\n0.536570 0.803220 0.799838 P\n0.963068 0.303500 0.699577 P\n0.044089 0.583583 0.146606 O\n0.456831 0.082695 0.354594 O\n0.542960 0.917217 0.645003 O\n0.956935 0.417060 0.853346 O\n0.041995 0.135420 0.759624 O\n0.457407 0.635239 0.740808 O\n0.542158 0.364828 0.259057 O\n0.958149 0.864665 0.240897 O\n0.204710 0.198563 0.113492 O\n0.294948 0.698580 0.387149 O\n0.704549 0.301493 0.613663 O\n0.795116 0.800989 0.885976 O\n0.174717 0.353410 0.570365 O\n0.325001 0.852631 0.928677 O\n0.676425 0.147475 0.071634 O\n0.824704 0.646270 0.429491 O\n","nsites":26,"nelements":3,"elements":["V","P","O"],"chemical_system":"O-P-V","density":3.198874532972394,"density_atomic":0.07306210389921983,"volume":355.86163842015554,"volume_molar":8.242495683270771,"formula_full":"V6 P4 O16","formula_reduced":"V3(PO4)2","formula_anonymous":"A2B3C8","energy":-220.7370375,"energy_per_atom":-8.489886057692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.5450375,"band_gap":2.2883000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0004569,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.566000Z","spacegroup":14},{"id":"mp-1213065","created_at":"2022-09-04T14:40:58.956506Z","structure_string":"Er2 Cr2 Te2 O12\n1.0\n-2.692397 -4.663368 0.000000\n-2.692397 4.663368 0.000000\n0.000000 0.000000 -8.623189\nEr Cr Te O\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.750000 Te\n0.333333 0.666667 0.250000 Te\n0.961048 0.313911 0.876028 O\n0.038952 0.686089 0.123972 O\n0.352863 0.038952 0.876028 O\n0.352863 0.313911 0.623972 O\n0.647137 0.961048 0.123972 O\n0.647137 0.686089 0.376028 O\n0.686089 0.647137 0.876028 O\n0.686089 0.038952 0.623972 O\n0.313911 0.352863 0.123972 O\n0.313911 0.961048 0.376028 O\n0.961048 0.647137 0.623972 O\n0.038952 0.352863 0.376028 O\n","nsites":18,"nelements":4,"elements":["Er","Cr","Te","O"],"chemical_system":"Cr-Er-O-Te","density":6.792044557940442,"density_atomic":0.08312579623467452,"volume":216.53927920502258,"volume_molar":7.2446112191199274,"formula_full":"Er2 Cr2 Te2 O12","formula_reduced":"ErCrTeO6","formula_anonymous":"ABCD6","energy":-135.64365909,"energy_per_atom":-7.535758838333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.40165909,"band_gap":1.5039000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9985045,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.164000Z","spacegroup":163},{"id":"mp-570961","created_at":"2022-09-04T14:40:58.957945Z","structure_string":"Cd2 Bi2 Se4 I2\n1.0\n2.123615 6.966770 0.000000\n-2.123615 6.966770 0.000000\n0.000000 0.309197 10.369089\nCd Bi Se I\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.714396 0.714396 0.684466 Bi\n0.285604 0.285604 0.315534 Bi\n0.643007 0.643007 0.441625 Se\n0.356993 0.356993 0.558375 Se\n0.080566 0.080566 0.740236 Se\n0.919434 0.919434 0.259764 Se\n0.361598 0.361598 0.924433 I\n0.638402 0.638402 0.075567 I\n","nsites":10,"nelements":4,"elements":["Cd","Bi","Se","I"],"chemical_system":"Bi-Cd-I-Se","density":6.56188386061114,"density_atomic":0.032592835513386174,"volume":306.8158950421147,"volume_molar":18.476885073490006,"formula_full":"Cd2 Bi2 Se4 I2","formula_reduced":"CdBiSe2I","formula_anonymous":"ABCD2","energy":-33.90639813,"energy_per_atom":-3.390639813,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.26039813,"band_gap":1.2705000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004758,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.913000Z","spacegroup":12},{"id":"mp-1218704","created_at":"2022-09-04T14:40:58.960712Z","structure_string":"Sr2 Ta1 N1 O3\n1.0\n-2.017499 2.044716 6.376948\n2.017499 -2.044716 6.376948\n2.017499 2.044716 -6.376948\nSr Ta N O\n2 1 1 3\ndirect\n0.644766 0.644766 0.000000 Sr\n0.355234 0.355234 0.000000 Sr\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.500000 N\n0.839177 0.839177 0.000000 O\n0.160823 0.160823 0.000000 O\n0.000000 0.500000 0.500000 O\n","nsites":7,"nelements":4,"elements":["Sr","Ta","N","O"],"chemical_system":"N-O-Sr-Ta","density":6.599430165783661,"density_atomic":0.06652407577555859,"volume":105.22506203042732,"volume_molar":9.05257335752807,"formula_full":"Sr2 Ta1 N1 O3","formula_reduced":"Sr2TaNO3","formula_anonymous":"ABC2D3","energy":-58.25028344999999,"energy_per_atom":-8.321469064285713,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.82828345,"band_gap":0.7061999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001084,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.707000Z","spacegroup":71},{"id":"mp-15973","created_at":"2022-09-04T14:40:58.972668Z","structure_string":"Cr4 Hg2 S8\n1.0\n0.000000 5.173024 5.173024\n5.173024 0.000000 5.173024\n5.173024 5.173024 0.000000\nCr Hg S\n4 2 8\ndirect\n0.625000 0.625000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Hg\n0.392063 0.823811 0.392063 S\n0.857937 0.857937 0.426189 S\n0.857937 0.857937 0.857937 S\n0.426189 0.857937 0.857937 S\n0.392063 0.392063 0.392063 S\n0.823811 0.392063 0.392063 S\n0.857937 0.426189 0.857937 S\n0.392063 0.392063 0.823811 S\n","nsites":14,"nelements":3,"elements":["Cr","Hg","S"],"chemical_system":"Cr-Hg-S","density":5.1921258821459935,"density_atomic":0.050566693916881164,"volume":276.8620788816539,"volume_molar":11.90930292951102,"formula_full":"Cr4 Hg2 S8","formula_reduced":"Cr2HgS4","formula_anonymous":"AB2C4","energy":-84.26755004,"energy_per_atom":-6.0191107171428575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.24355004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9997891,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.501000Z","spacegroup":227},{"id":"mp-1096748","created_at":"2022-09-04T14:40:58.979366Z","structure_string":"Hf1 Al1 Tc2\n1.0\n-4.802919 5.613172 7.934831\n4.802919 -5.613172 7.934831\n4.802919 5.613172 -7.934831\nHf Al Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Al\n0.000000 0.257951 0.257951 Tc\n0.000000 0.742049 0.742049 Tc\n","nsites":4,"nelements":3,"elements":["Hf","Al","Tc"],"chemical_system":"Al-Hf-Tc","density":0.7790988702046192,"density_atomic":0.004674645759758561,"volume":855.6798109567547,"volume_molar":128.8256066767942,"formula_full":"Hf1 Al1 Tc2","formula_reduced":"HfAlTc2","formula_anonymous":"ABC2","energy":-21.1937706,"energy_per_atom":-5.29844265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.1937706,"band_gap":0.221,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0000429,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.540000Z","spacegroup":71},{"id":"mp-1021904","created_at":"2022-09-04T14:40:58.982496Z","structure_string":"Mg12 Ti2 Ni2\n1.0\n4.761095 0.000000 0.000000\n0.000000 6.025238 0.000000\n0.000000 0.000000 10.896475\nMg Ti Ni\n12 2 2\ndirect\n0.000000 0.741053 0.084066 Mg\n0.000000 0.258947 0.084066 Mg\n0.000000 0.000000 0.327866 Mg\n0.500000 0.257685 0.422107 Mg\n0.500000 0.742315 0.422107 Mg\n0.500000 0.000000 0.167530 Mg\n0.000000 0.241053 0.584066 Mg\n0.000000 0.758947 0.584066 Mg\n0.000000 0.500000 0.827866 Mg\n0.500000 0.757685 0.922107 Mg\n0.500000 0.242315 0.922107 Mg\n0.500000 0.500000 0.667530 Mg\n0.500000 0.500000 0.189780 Ti\n0.500000 0.000000 0.689780 Ti\n0.000000 0.500000 0.302477 Ni\n0.000000 0.000000 0.802477 Ni\n","nsites":16,"nelements":3,"elements":["Mg","Ti","Ni"],"chemical_system":"Mg-Ni-Ti","density":2.68154348852603,"density_atomic":0.051186201527620136,"volume":312.58424189508145,"volume_molar":11.765164400312933,"formula_full":"Mg12 Ti2 Ni2","formula_reduced":"Mg6TiNi","formula_anonymous":"ABC6","energy":-45.1998345,"energy_per_atom":-2.82498965625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.1998345,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6813904,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.935000Z","spacegroup":38},{"id":"mp-23951","created_at":"2022-09-04T14:40:58.986114Z","structure_string":"Cs2 B6 H6\n1.0\n0.000000 4.864779 4.864779\n4.864779 0.000000 4.864779\n4.864779 4.864779 0.000000\nCs B H\n2 6 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.874261 0.125739 0.874261 B\n0.874261 0.874261 0.125739 B\n0.125739 0.874261 0.874261 B\n0.125739 0.125739 0.874261 B\n0.125739 0.874261 0.125739 B\n0.874261 0.125739 0.125739 B\n0.749915 0.749915 0.250085 H\n0.749915 0.250085 0.749915 H\n0.250085 0.749915 0.749915 H\n0.250085 0.250085 0.749915 H\n0.250085 0.749915 0.250085 H\n0.749915 0.250085 0.250085 H\n","nsites":14,"nelements":3,"elements":["Cs","B","H"],"chemical_system":"B-Cs-H","density":2.4283122346744643,"density_atomic":0.060800715911730197,"volume":230.26044660929725,"volume_molar":9.904720149583234,"formula_full":"Cs2 B6 H6","formula_reduced":"Cs(BH)3","formula_anonymous":"AB3C3","energy":-67.60816838,"energy_per_atom":-4.829154884285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.53416838,"band_gap":4.324199999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.472000Z","spacegroup":225},{"id":"mp-776172","created_at":"2022-09-04T14:40:58.988201Z","structure_string":"Al4 Cu4 O12\n1.0\n6.781667 0.000000 0.000000\n0.000000 4.709123 0.000000\n0.000000 0.490955 6.213383\nAl Cu O\n4 4 12\ndirect\n0.197756 0.518492 0.748111 Al\n0.697756 0.481508 0.751889 Al\n0.302244 0.518492 0.248111 Al\n0.802244 0.481508 0.251889 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.605581 0.851168 0.758462 O\n0.894419 0.851168 0.258462 O\n0.188520 0.695281 0.002837 O\n0.311480 0.695281 0.502837 O\n0.943571 0.660784 0.669671 O\n0.556429 0.660784 0.169671 O\n0.443571 0.339216 0.830329 O\n0.056429 0.339216 0.330329 O\n0.688520 0.304719 0.497163 O\n0.811480 0.304719 0.997163 O\n0.105581 0.148832 0.741538 O\n0.394419 0.148832 0.241538 O\n","nsites":20,"nelements":3,"elements":["Al","Cu","O"],"chemical_system":"Al-Cu-O","density":4.636977017852498,"density_atomic":0.10079184054263145,"volume":198.42876062512912,"volume_molar":5.974829636584366,"formula_full":"Al4 Cu4 O12","formula_reduced":"AlCuO3","formula_anonymous":"ABC3","energy":-131.87271948,"energy_per_atom":-6.593635974,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.62871948,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007792,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.621000Z","spacegroup":14},{"id":"mp-1866","created_at":"2022-09-04T14:40:58.993458Z","structure_string":"K1 O2\n1.0\n-1.982179 1.982179 3.387667\n1.982179 -1.982179 3.387667\n1.982179 1.982179 -3.387667\nK O\n1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.599944 0.599944 0.000000 O\n0.400056 0.400056 0.000000 O\n","nsites":3,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":2.2174535825043855,"density_atomic":0.05634752025281963,"volume":53.241029712392354,"volume_molar":10.68749917117897,"formula_full":"K1 O2","formula_reduced":"KO2","formula_anonymous":"AB2","energy":-13.96779238,"energy_per_atom":-4.655930793333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.64579238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999079,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.531000Z","spacegroup":139},{"id":"mp-1189006","created_at":"2022-09-04T14:40:58.999159Z","structure_string":"K1 Li1 Mn2 Si4 O12\n1.0\n-2.673115 -4.510098 0.000000\n-2.673115 4.510098 0.000000\n1.437147 0.000000 -10.252920\nK Li Mn Si O\n1 1 2 4 12\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Li\n0.654629 0.345371 0.500000 Mn\n0.345371 0.654629 0.500000 Mn\n0.893151 0.234145 0.229233 Si\n0.234145 0.893151 0.229233 Si\n0.106849 0.765855 0.770767 Si\n0.765855 0.106849 0.770767 Si\n0.046567 0.046567 0.171107 O\n0.953433 0.953433 0.828893 O\n0.048622 0.545985 0.163211 O\n0.545985 0.048622 0.163211 O\n0.951378 0.454015 0.836789 O\n0.454015 0.951378 0.836789 O\n0.928499 0.286209 0.385994 O\n0.286209 0.928499 0.385994 O\n0.071501 0.713791 0.614006 O\n0.713791 0.071501 0.614006 O\n0.611430 0.611430 0.398802 O\n0.388570 0.388570 0.601198 O\n","nsites":20,"nelements":5,"elements":["K","Li","Mn","Si","O"],"chemical_system":"K-Li-Mn-O-Si","density":3.091447587276436,"density_atomic":0.08090005363897738,"volume":247.21862471502817,"volume_molar":7.443926782637574,"formula_full":"K1 Li1 Mn2 Si4 O12","formula_reduced":"KLiMn2(SiO3)4","formula_anonymous":"ABC2D4E12","energy":-158.98778715,"energy_per_atom":-7.9493893575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.40778715,"band_gap":2.041,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9383395,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.416000Z","spacegroup":12},{"id":"mp-1412196","created_at":"2022-09-04T14:40:59.000225Z","structure_string":"Zn2 Sb2 F10\n1.0\n3.260368 4.604286 0.000000\n-3.260368 4.604286 0.000000\n0.000000 4.442682 7.803562\nZn Sb F\n2 2 10\ndirect\n0.496962 0.498584 0.743246 Zn\n0.498584 0.496962 0.243246 Zn\n0.015538 0.977378 0.988945 Sb\n0.977378 0.015538 0.488945 Sb\n0.143997 0.857298 0.191022 F\n0.857298 0.143997 0.691022 F\n0.201548 0.323942 0.368924 F\n0.689905 0.777366 0.168648 F\n0.758520 0.299401 0.085987 F\n0.630902 0.307187 0.456481 F\n0.307187 0.630902 0.956481 F\n0.299401 0.758520 0.585987 F\n0.323942 0.201548 0.868924 F\n0.777366 0.689905 0.668648 F\n","nsites":14,"nelements":3,"elements":["Zn","Sb","F"],"chemical_system":"F-Sb-Zn","density":3.9996713605894523,"density_atomic":0.059755273757853014,"volume":234.28894421490497,"volume_molar":10.078007146956752,"formula_full":"Zn2 Sb2 F10","formula_reduced":"ZnSbF5","formula_anonymous":"ABC5","energy":-66.06860651,"energy_per_atom":-4.719186179285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.44860650999999,"band_gap":3.7324,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0086472,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.553000Z","spacegroup":9}]}