{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=24","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=22","results":[{"id":"mp-1079630","created_at":"2022-09-04T14:39:05.833392Z","structure_string":"Ba2 Ta1 In1 O6\n1.0\n0.000000 4.199960 4.199960\n4.199960 0.000000 4.199960\n4.199960 4.199960 0.000000\nBa Ta In O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.739180 0.739180 0.260820 O\n0.260820 0.739180 0.260820 O\n0.739180 0.260820 0.260820 O\n0.260820 0.260820 0.739180 O\n0.739180 0.260820 0.739180 O\n0.260820 0.739180 0.739180 O\n","nsites":10,"nelements":4,"elements":["Ba","Ta","In","O"],"chemical_system":"Ba-In-O-Ta","density":7.468428663189091,"density_atomic":0.06748924063092523,"volume":148.17176644031986,"volume_molar":8.923112341614504,"formula_full":"Ba2 Ta1 In1 O6","formula_reduced":"Ba2TaInO6","formula_anonymous":"ABC2D6","energy":-78.9024051,"energy_per_atom":-7.89024051,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.7804051,"band_gap":3.9459,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.506000Z","spacegroup":225},{"id":"mp-22759","created_at":"2022-09-04T14:39:06.286760Z","structure_string":"Co4 B4 W4\n1.0\n3.259722 0.000000 0.000000\n0.000000 5.745631 0.000000\n0.000000 0.000000 6.634388\nCo B W\n4 4 4\ndirect\n0.250000 0.142818 0.442063 Co\n0.250000 0.642818 0.057937 Co\n0.750000 0.857182 0.557937 Co\n0.750000 0.357182 0.942063 Co\n0.250000 0.269541 0.126047 B\n0.250000 0.769541 0.373953 B\n0.750000 0.730459 0.873953 B\n0.750000 0.230459 0.626047 B\n0.250000 0.027729 0.825203 W\n0.250000 0.527729 0.674797 W\n0.750000 0.972271 0.174797 W\n0.750000 0.472271 0.325203 W\n","nsites":12,"nelements":3,"elements":["Co","B","W"],"chemical_system":"B-Co-W","density":13.555392881469277,"density_atomic":0.09657441468407024,"volume":124.25651285856954,"volume_molar":6.235751756508797,"formula_full":"Co4 B4 W4","formula_reduced":"CoBW","formula_anonymous":"ABC","energy":-112.17840453,"energy_per_atom":-9.3482003775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.17840453,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.27e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.478000Z","spacegroup":62},{"id":"mp-3943","created_at":"2022-09-04T14:39:05.837407Z","structure_string":"Ba3 Ti6 O15\n1.0\n1.957623 8.535091 0.000000\n-1.957623 8.535091 0.000000\n0.000000 2.162237 9.450597\nBa Ti O\n3 6 15\ndirect\n0.500000 0.500000 0.500000 Ba\n0.368670 0.368670 0.986805 Ba\n0.631330 0.631330 0.013195 Ba\n0.832736 0.832736 0.698612 Ti\n0.167264 0.167264 0.301388 Ti\n0.205028 0.205028 0.626459 Ti\n0.794972 0.794972 0.373541 Ti\n0.037922 0.037922 0.791157 Ti\n0.962078 0.962078 0.208843 Ti\n0.000000 0.000000 0.000000 O\n0.941751 0.941751 0.710702 O\n0.058249 0.058249 0.289298 O\n0.789428 0.789428 0.878674 O\n0.210572 0.210572 0.121326 O\n0.735721 0.735721 0.600175 O\n0.264279 0.264279 0.399825 O\n0.675638 0.675638 0.337652 O\n0.324362 0.324362 0.662348 O\n0.466477 0.466477 0.206725 O\n0.533523 0.533523 0.793275 O\n0.893283 0.893283 0.422654 O\n0.106717 0.106717 0.577346 O\n0.847821 0.847821 0.187822 O\n0.152179 0.152179 0.812178 O\n","nsites":24,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":4.938200329835688,"density_atomic":0.07599495939442773,"volume":315.8104194178934,"volume_molar":7.924394996704964,"formula_full":"Ba3 Ti6 O15","formula_reduced":"BaTi2O5","formula_anonymous":"AB2C5","energy":-211.56871236,"energy_per_atom":-8.815363015,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.26371236,"band_gap":1.8301000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007538,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.501000Z","spacegroup":12},{"id":"mp-698301","created_at":"2022-09-04T14:39:06.224979Z","structure_string":"Zn2 H12 C4 S4 O12\n1.0\n5.539459 4.211944 0.000000\n-5.539459 4.211944 0.000000\n0.000000 4.006740 8.197086\nZn H C S O\n2 12 4 4 12\ndirect\n0.146935 0.857358 0.938594 Zn\n0.857358 0.146935 0.438594 Zn\n0.908860 0.837957 0.667585 H\n0.837957 0.908860 0.167585 H\n0.071539 0.661341 0.258674 H\n0.661341 0.071539 0.758674 H\n0.604316 0.528050 0.790021 H\n0.528050 0.604316 0.290021 H\n0.623701 0.533228 0.589064 H\n0.533228 0.623701 0.089064 H\n0.469033 0.998303 0.176162 H\n0.998303 0.469033 0.676162 H\n0.230815 0.906580 0.356061 H\n0.906580 0.230815 0.856061 H\n0.642802 0.632263 0.663650 C\n0.632263 0.642802 0.163650 C\n0.293590 0.942218 0.224082 C\n0.942218 0.293590 0.724082 C\n0.434039 0.756319 0.669797 S\n0.756319 0.434039 0.169797 S\n0.221533 0.171773 0.126126 S\n0.171773 0.221533 0.626126 S\n0.433647 0.832354 0.816525 O\n0.832354 0.433647 0.316525 O\n0.549721 0.951908 0.510138 O\n0.951908 0.549721 0.010138 O\n0.847741 0.791384 0.589283 O\n0.791384 0.847741 0.089283 O\n0.247725 0.150722 0.959053 O\n0.150722 0.247725 0.459053 O\n0.977000 0.085230 0.226858 O\n0.085230 0.977000 0.726858 O\n0.211586 0.768830 0.177885 O\n0.768830 0.211586 0.677885 O\n","nsites":34,"nelements":5,"elements":["Zn","H","C","S","O"],"chemical_system":"C-H-O-S-Zn","density":2.2192593523587325,"density_atomic":0.08888725388611313,"volume":382.5070357507335,"volume_molar":6.775032973474321,"formula_full":"Zn2 H12 C4 S4 O12","formula_reduced":"ZnH6C2(SO3)2","formula_anonymous":"AB2C2D6E6","energy":-189.32679251,"energy_per_atom":-5.5684350738235295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.08279251,"band_gap":3.517100000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000613,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.102000Z","spacegroup":9},{"id":"mp-1220781","created_at":"2022-09-04T14:39:06.201815Z","structure_string":"Na1 Li3 V4 O12\n1.0\n4.496282 5.158602 0.000000\n-4.496282 5.158602 0.000000\n0.000000 2.031557 5.563310\nNa Li V O\n1 3 4 12\ndirect\n0.712608 0.287392 0.000000 Na\n0.916602 0.083398 0.500000 Li\n0.086403 0.913597 0.000000 Li\n0.272540 0.727460 0.500000 Li\n0.806810 0.619653 0.501128 V\n0.380347 0.193190 0.498872 V\n0.196610 0.383015 0.995655 V\n0.616985 0.803390 0.004345 V\n0.907966 0.380498 0.544571 O\n0.619502 0.092034 0.455429 O\n0.088012 0.619768 0.955703 O\n0.380232 0.911988 0.044297 O\n0.631675 0.654507 0.303762 O\n0.345493 0.368325 0.696238 O\n0.362030 0.347339 0.203243 O\n0.652661 0.637970 0.796757 O\n0.994711 0.781114 0.407344 O\n0.218886 0.005289 0.592656 O\n0.020625 0.210697 0.099116 O\n0.789303 0.979375 0.900884 O\n","nsites":20,"nelements":4,"elements":["Na","Li","V","O"],"chemical_system":"Li-Na-O-V","density":2.8283286493197806,"density_atomic":0.0774963370607848,"volume":258.07671379761933,"volume_molar":7.770871486837489,"formula_full":"Na1 Li3 V4 O12","formula_reduced":"NaLi3V4O12","formula_anonymous":"AB3C4D12","energy":-150.62962978000002,"energy_per_atom":-7.531481489000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.58562978,"band_gap":3.0329,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025055,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.007000Z","spacegroup":5},{"id":"mp-1215252","created_at":"2022-09-04T14:39:05.700302Z","structure_string":"Zr1 Al1 W4\n1.0\n0.000000 3.780628 3.780628\n3.780628 0.000000 3.780628\n3.780628 3.780628 0.000000\nZr Al W\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Al\n0.624499 0.624499 0.126504 W\n0.624499 0.126504 0.624499 W\n0.126504 0.624499 0.624499 W\n0.624499 0.624499 0.624499 W\n","nsites":6,"nelements":3,"elements":["Zr","Al","W"],"chemical_system":"Al-W-Zr","density":13.114874382898966,"density_atomic":0.05551743788089434,"volume":108.07415163632449,"volume_molar":10.847295894525509,"formula_full":"Zr1 Al1 W4","formula_reduced":"ZrAlW4","formula_anonymous":"ABC4","energy":-63.44883745,"energy_per_atom":-10.574806241666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.44883745,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000295,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.974000Z","spacegroup":216},{"id":"mp-1213652","created_at":"2022-09-04T14:39:05.583396Z","structure_string":"Cs4 H8 C4 N20\n1.0\n6.902103 0.000000 0.000000\n0.000000 8.506409 0.000000\n0.000000 0.000000 9.171574\nCs H C N\n4 8 4 20\ndirect\n0.250000 0.515647 0.203207 Cs\n0.750000 0.484353 0.796793 Cs\n0.750000 0.984353 0.703207 Cs\n0.250000 0.015647 0.296793 Cs\n0.125603 0.799635 0.924327 H\n0.874397 0.200365 0.075673 H\n0.874397 0.700365 0.424327 H\n0.625603 0.200365 0.075673 H\n0.125603 0.299635 0.575673 H\n0.374397 0.799635 0.924327 H\n0.374397 0.299635 0.575673 H\n0.625603 0.700365 0.424327 H\n0.250000 0.724680 0.736964 C\n0.750000 0.275320 0.263036 C\n0.750000 0.775320 0.236964 C\n0.250000 0.224680 0.763036 C\n0.250000 0.748422 0.886172 N\n0.750000 0.251578 0.113828 N\n0.750000 0.751578 0.386172 N\n0.250000 0.248422 0.613828 N\n0.154753 0.683939 0.518304 N\n0.845247 0.316061 0.481696 N\n0.845247 0.816061 0.018304 N\n0.654753 0.316061 0.481696 N\n0.154753 0.183939 0.981696 N\n0.345247 0.683939 0.518304 N\n0.345247 0.183939 0.981696 N\n0.654753 0.816061 0.018304 N\n0.088126 0.708499 0.655624 N\n0.911874 0.291501 0.344376 N\n0.911874 0.791501 0.155624 N\n0.588126 0.291501 0.344376 N\n0.088126 0.208499 0.844376 N\n0.411874 0.708499 0.655624 N\n0.411874 0.208499 0.844376 N\n0.588126 0.791501 0.155624 N\n","nsites":36,"nelements":4,"elements":["Cs","H","C","N"],"chemical_system":"C-Cs-H-N","density":2.6762597553524703,"density_atomic":0.06685454385007238,"volume":538.4824714492615,"volume_molar":9.007825666278151,"formula_full":"Cs4 H8 C4 N20","formula_reduced":"CsH2CN5","formula_anonymous":"ABC2D5","energy":-247.25089347,"energy_per_atom":-6.8680803741666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.03089347,"band_gap":4.0637,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0019408,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.391000Z","spacegroup":62},{"id":"mp-561","created_at":"2022-09-04T14:39:05.514308Z","structure_string":"Nb6 Se8\n1.0\n5.086905 -8.810778 0.000000\n5.086905 8.810778 0.000000\n0.000000 0.000000 3.483239\nNb Se\n6 8\ndirect\n0.512656 0.892349 0.750000 Nb\n0.620307 0.512656 0.250000 Nb\n0.892349 0.379693 0.250000 Nb\n0.107651 0.620307 0.750000 Nb\n0.379693 0.487344 0.750000 Nb\n0.487344 0.107651 0.250000 Nb\n0.657847 0.719383 0.750000 Se\n0.938465 0.657847 0.250000 Se\n0.719383 0.061535 0.250000 Se\n0.280617 0.938465 0.750000 Se\n0.061535 0.342153 0.750000 Se\n0.342153 0.280617 0.250000 Se\n0.666667 0.333333 0.750000 Se\n0.333333 0.666667 0.250000 Se\n","nsites":14,"nelements":2,"elements":["Nb","Se"],"chemical_system":"Nb-Se","density":6.324016540567271,"density_atomic":0.04483806682766292,"volume":312.23469231645544,"volume_molar":13.43086619489275,"formula_full":"Nb6 Se8","formula_reduced":"Nb3Se4","formula_anonymous":"A3B4","energy":-104.45283813,"energy_per_atom":-7.460917009285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.67683813,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.42e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.004000Z","spacegroup":176},{"id":"mp-22162","created_at":"2022-09-04T14:39:06.233168Z","structure_string":"Yb4 Ni4 Sn4\n1.0\n4.451372 0.000000 0.000000\n0.000000 7.162295 0.000000\n0.000000 0.000000 7.631562\nYb Ni Sn\n4 4 4\ndirect\n0.250000 0.975462 0.815764 Yb\n0.750000 0.024538 0.184236 Yb\n0.250000 0.475462 0.684236 Yb\n0.750000 0.524538 0.315764 Yb\n0.750000 0.293805 0.895718 Ni\n0.250000 0.206195 0.395718 Ni\n0.750000 0.793805 0.604282 Ni\n0.250000 0.706195 0.104282 Ni\n0.250000 0.832234 0.423970 Sn\n0.750000 0.667766 0.923970 Sn\n0.250000 0.332234 0.076030 Sn\n0.750000 0.167766 0.576030 Sn\n","nsites":12,"nelements":3,"elements":["Yb","Ni","Sn"],"chemical_system":"Ni-Sn-Yb","density":9.56681647478549,"density_atomic":0.04931984633423396,"volume":243.30976051055828,"volume_molar":12.210380217303928,"formula_full":"Yb4 Ni4 Sn4","formula_reduced":"YbNiSn","formula_anonymous":"ABC","energy":-52.28455256,"energy_per_atom":-4.3570460466666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.28455256,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.84e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.936000Z","spacegroup":62},{"id":"mp-1187533","created_at":"2022-09-04T14:39:06.239863Z","structure_string":"Tl1 Ge1 O3\n1.0\n3.862735 0.000000 0.000000\n0.000000 3.862735 0.000000\n0.000000 0.000000 3.862735\nTl Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Tl","Ge","O"],"chemical_system":"Ge-O-Tl","density":9.364324257859888,"density_atomic":0.0867531514416786,"volume":57.634793859463905,"volume_molar":6.941696825905506,"formula_full":"Tl1 Ge1 O3","formula_reduced":"TlGeO3","formula_anonymous":"ABC3","energy":-28.66981484,"energy_per_atom":-5.733962968,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.60881484,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013357,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.201000Z","spacegroup":221},{"id":"mp-998969","created_at":"2022-09-04T14:39:06.246651Z","structure_string":"Ti2 H2\n1.0\n1.438791 -2.492058 0.000000\n1.438791 2.492058 0.000000\n0.000000 0.000000 5.263294\nTi H\n2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n","nsites":4,"nelements":2,"elements":["Ti","H"],"chemical_system":"H-Ti","density":4.300528662991119,"density_atomic":0.10597819234109361,"volume":37.74361414965349,"volume_molar":5.682433930008526,"formula_full":"Ti2 H2","formula_reduced":"TiH","formula_anonymous":"AB","energy":-23.47420761,"energy_per_atom":-5.8685519025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.11620761,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010692,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.223000Z","spacegroup":194},{"id":"mp-619775","created_at":"2022-09-04T14:39:06.789148Z","structure_string":"Y14 C4 I24 N2\n1.0\n9.939863 0.000000 0.000000\n-4.110917 9.783754 0.000000\n-0.888017 -4.059503 16.512967\nY C I N\n14 4 24 2\ndirect\n0.281998 0.242423 0.350444 Y\n0.718002 0.757577 0.649556 Y\n0.935412 0.570856 0.736826 Y\n0.480028 0.566621 0.320932 Y\n0.132436 0.116104 0.143783 Y\n0.337278 0.455741 0.113576 Y\n0.662722 0.544259 0.886424 Y\n0.545384 0.252403 0.190718 Y\n0.640376 0.452042 0.480584 Y\n0.064588 0.429144 0.263174 Y\n0.519972 0.433379 0.679068 Y\n0.454616 0.747597 0.809282 Y\n0.359624 0.547958 0.519416 Y\n0.867564 0.883896 0.856217 Y\n0.755106 0.638796 0.766148 C\n0.362702 0.319633 0.216024 C\n0.637298 0.680367 0.783976 C\n0.244894 0.361204 0.233852 C\n0.457706 0.855217 0.650264 I\n0.271473 0.706585 0.389654 I\n0.173591 0.846747 0.835716 I\n0.968753 0.678800 0.575845 I\n0.950805 0.055504 0.732017 I\n0.661076 0.026494 0.911237 I\n0.606694 0.399067 0.050182 I\n0.338924 0.973506 0.088763 I\n0.439872 0.253638 0.803312 I\n0.905116 0.430166 0.874171 I\n0.701176 0.817725 0.469904 I\n0.125070 0.198603 0.982282 I\n0.728527 0.293415 0.610346 I\n0.031247 0.321200 0.424155 I\n0.560128 0.746362 0.196688 I\n0.393306 0.600933 0.949818 I\n0.298824 0.182275 0.530096 I\n0.213789 0.470480 0.687802 I\n0.874930 0.801397 0.017718 I\n0.542294 0.144783 0.349736 I\n0.094884 0.569834 0.125829 I\n0.826409 0.153253 0.164284 I\n0.049195 0.944496 0.267983 I\n0.786211 0.529520 0.312198 I\n0.559214 0.548705 0.584260 N\n0.440786 0.451295 0.415740 N\n","nsites":44,"nelements":4,"elements":["Y","C","I","N"],"chemical_system":"C-I-N-Y","density":4.515086691953715,"density_atomic":0.02739943708915826,"volume":1605.8724074083425,"volume_molar":21.979067454575237,"formula_full":"Y14 C4 I24 N2","formula_reduced":"Y7C2I12N","formula_anonymous":"AB2C7D12","energy":-248.91417245,"energy_per_atom":-5.657140282954545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-239.09617245,"band_gap":1.0406,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027848,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.395000Z","spacegroup":2}]}