{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=23","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=21","results":[{"id":"mp-1216612","created_at":"2022-09-04T14:48:30.741246Z","structure_string":"Tl1 In5 S8\n1.0\n1.954445 9.698073 0.000000\n-1.954445 9.698073 0.000000\n0.000000 2.051064 9.125580\nTl In S\n1 5 8\ndirect\n0.469873 0.469873 0.480099 Tl\n0.711137 0.711137 0.662626 In\n0.286349 0.286349 0.336278 In\n0.354334 0.354334 0.910683 In\n0.645232 0.645232 0.089985 In\n0.000651 0.000651 0.999393 In\n0.237290 0.237290 0.847620 S\n0.762911 0.762911 0.152319 S\n0.584797 0.584797 0.874390 S\n0.415344 0.415344 0.126496 S\n0.167313 0.167313 0.521731 S\n0.835055 0.835055 0.477845 S\n0.929269 0.929269 0.785864 S\n0.070464 0.070464 0.214563 S\n","nsites":14,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":4.968064906783494,"density_atomic":0.040469576621730674,"volume":345.9388797381813,"volume_molar":14.880661629571714,"formula_full":"Tl1 In5 S8","formula_reduced":"TlIn5S8","formula_anonymous":"AB5C8","energy":-60.65159309,"energy_per_atom":-4.332256649285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.62759309,"band_gap":1.6643,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036763,"is_theoretical":true,"updated_at":"2021-11-28T01:39:50.541000Z","spacegroup":8},{"id":"mp-5730","created_at":"2022-09-04T14:48:30.740507Z","structure_string":"Ba6 B12 O24\n1.0\n5.694780 -6.335889 0.000000\n5.694780 6.335889 0.000000\n-1.354393 0.000000 8.410685\nBa B O\n6 12 24\ndirect\n0.741186 0.379494 0.028523 Ba\n0.379494 0.028523 0.741186 Ba\n0.028523 0.741186 0.379494 Ba\n0.528523 0.879494 0.241186 Ba\n0.879494 0.241186 0.528523 Ba\n0.241186 0.528523 0.879494 Ba\n0.877268 0.048923 0.093815 B\n0.048923 0.093815 0.877268 B\n0.093815 0.877268 0.048923 B\n0.593815 0.548923 0.377268 B\n0.548923 0.377268 0.593815 B\n0.377268 0.593815 0.548923 B\n0.344241 0.266492 0.120319 B\n0.120319 0.344241 0.266492 B\n0.266492 0.120319 0.344241 B\n0.766492 0.844241 0.620319 B\n0.620319 0.766492 0.844241 B\n0.844241 0.620319 0.766492 B\n0.421720 0.463655 0.628913 O\n0.628913 0.421720 0.463655 O\n0.463655 0.628913 0.421720 O\n0.963655 0.921720 0.128913 O\n0.128913 0.963655 0.921720 O\n0.921720 0.128913 0.963655 O\n0.428590 0.285726 0.999668 O\n0.999668 0.428590 0.285726 O\n0.285726 0.999668 0.428590 O\n0.785726 0.928590 0.499668 O\n0.499668 0.785726 0.928590 O\n0.928590 0.499668 0.785726 O\n0.223345 0.364775 0.149361 O\n0.149361 0.223345 0.364775 O\n0.364775 0.149361 0.223345 O\n0.864775 0.723345 0.649361 O\n0.649361 0.864775 0.723345 O\n0.723345 0.649361 0.864775 O\n0.262722 0.675056 0.596299 O\n0.596299 0.262722 0.675056 O\n0.675056 0.596299 0.262722 O\n0.175056 0.762722 0.096299 O\n0.096299 0.175056 0.762722 O\n0.762722 0.096299 0.175056 O\n","nsites":42,"nelements":3,"elements":["Ba","B","O"],"chemical_system":"B-Ba-O","density":3.6597829252758833,"density_atomic":0.06919957314563521,"volume":606.9401600441688,"volume_molar":8.70256923019741,"formula_full":"Ba6 B12 O24","formula_reduced":"Ba(BO2)2","formula_anonymous":"AB2C4","energy":-340.46924264,"energy_per_atom":-8.10641053904762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-323.98124264,"band_gap":4.7902000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009065,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.547000Z","spacegroup":161},{"id":"mp-976","created_at":"2022-09-04T14:48:30.738182Z","structure_string":"V12 Si10\n1.0\n-2.419671 3.739617 7.963378\n2.419671 -3.739617 7.963378\n2.419671 3.739617 -7.963378\nV Si\n12 10\ndirect\n0.310210 0.060210 0.750000 V\n0.689790 0.439790 0.750000 V\n0.689790 0.939790 0.250000 V\n0.310210 0.560210 0.250000 V\n0.257090 0.143463 0.113627 V\n0.742910 0.856537 0.886373 V\n0.970164 0.356537 0.613627 V\n0.029836 0.643463 0.386373 V\n0.681710 0.434820 0.246890 V\n0.318290 0.565180 0.753110 V\n0.812070 0.065180 0.746890 V\n0.187930 0.934820 0.253110 V\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.583885 0.286100 0.297785 Si\n0.416115 0.713900 0.702215 Si\n0.011685 0.213900 0.797785 Si\n0.988315 0.786100 0.202215 Si\n0.473639 0.063845 0.409794 Si\n0.526361 0.936155 0.590206 Si\n0.345948 0.436155 0.909794 Si\n0.654052 0.563845 0.090206 Si\n","nsites":22,"nelements":2,"elements":["V","Si"],"chemical_system":"Si-V","density":5.139817165957049,"density_atomic":0.07632765391413725,"volume":288.23105220485763,"volume_molar":7.88985439900255,"formula_full":"V12 Si10","formula_reduced":"V6Si5","formula_anonymous":"A5B6","energy":-174.47738686,"energy_per_atom":-7.930790311818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.18738686,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0277858,"is_theoretical":false,"updated_at":"2021-11-28T01:39:56.835000Z","spacegroup":72},{"id":"mp-1393899","created_at":"2022-09-04T14:48:30.729600Z","structure_string":"V2 Zn4 N4\n1.0\n2.269707 5.123475 0.000000\n-2.269707 5.123475 0.000000\n0.000000 2.981614 5.091448\nV Zn N\n2 4 4\ndirect\n0.652178 0.652178 0.876799 V\n0.347822 0.347822 0.123201 V\n0.313124 0.313124 0.640864 Zn\n0.686876 0.686876 0.359136 Zn\n0.969690 0.969690 0.788122 Zn\n0.030310 0.030310 0.211878 Zn\n0.839222 0.839222 0.596816 N\n0.160778 0.160778 0.403184 N\n0.482157 0.482157 0.246503 N\n0.517843 0.517843 0.753497 N\n","nsites":10,"nelements":3,"elements":["V","Zn","N"],"chemical_system":"N-V-Zn","density":5.8833237630307975,"density_atomic":0.08444895372535792,"volume":118.4147293585385,"volume_molar":7.131101682544234,"formula_full":"V2 Zn4 N4","formula_reduced":"V(ZnN)2","formula_anonymous":"AB2C2","energy":-58.15757143,"energy_per_atom":-5.815757143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.71357143,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.63e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.016000Z","spacegroup":12},{"id":"mp-1102759","created_at":"2022-09-04T14:48:30.722486Z","structure_string":"Ho4 Mn8\n1.0\n-2.532312 -4.409799 0.000000\n-2.532312 4.409799 0.000000\n0.000000 0.000000 -8.414169\nHo Mn\n4 8\ndirect\n0.666601 0.333399 0.562972 Ho\n0.333399 0.666601 0.437028 Ho\n0.333399 0.666601 0.062972 Ho\n0.666601 0.333399 0.937028 Ho\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.168657 0.336997 0.750000 Mn\n0.168387 0.831613 0.750000 Mn\n0.663003 0.831343 0.750000 Mn\n0.831343 0.663003 0.250000 Mn\n0.831613 0.168387 0.250000 Mn\n0.336997 0.168657 0.250000 Mn\n","nsites":12,"nelements":2,"elements":["Ho","Mn"],"chemical_system":"Ho-Mn","density":9.713119088642866,"density_atomic":0.06385633842092452,"volume":187.92183042032718,"volume_molar":9.430764288900502,"formula_full":"Ho4 Mn8","formula_reduced":"HoMn2","formula_anonymous":"AB2","energy":-90.35135506,"energy_per_atom":-7.529279588333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.35135506,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9811401,"is_theoretical":false,"updated_at":"2021-11-28T01:39:52.167000Z","spacegroup":194},{"id":"mp-583553","created_at":"2022-09-04T14:48:30.720837Z","structure_string":"Mo24 Pb4 Cl56\n1.0\n13.086287 0.000000 0.000000\n0.000000 13.086287 0.000000\n0.000000 0.000000 13.086287\nMo Pb Cl\n24 4 56\ndirect\n0.787333 0.115385 0.279010 Mo\n0.279010 0.787333 0.115385 Mo\n0.615385 0.220990 0.287333 Mo\n0.115385 0.720990 0.212667 Mo\n0.720990 0.212667 0.115385 Mo\n0.884615 0.720990 0.787333 Mo\n0.384615 0.220990 0.712667 Mo\n0.220990 0.287333 0.615385 Mo\n0.720990 0.787333 0.884615 Mo\n0.787333 0.884615 0.720990 Mo\n0.615385 0.779010 0.712667 Mo\n0.779010 0.712667 0.615385 Mo\n0.712667 0.384615 0.220990 Mo\n0.884615 0.279010 0.212667 Mo\n0.779010 0.287333 0.384615 Mo\n0.287333 0.615385 0.220990 Mo\n0.712667 0.615385 0.779010 Mo\n0.220990 0.712667 0.384615 Mo\n0.279010 0.212667 0.884615 Mo\n0.115385 0.279010 0.787333 Mo\n0.287333 0.384615 0.779010 Mo\n0.384615 0.779010 0.287333 Mo\n0.212667 0.884615 0.279010 Mo\n0.212667 0.115385 0.720990 Mo\n0.750000 0.750000 0.250000 Pb\n0.250000 0.250000 0.250000 Pb\n0.250000 0.750000 0.750000 Pb\n0.750000 0.250000 0.750000 Pb\n0.939552 0.678055 0.158908 Cl\n0.938526 0.813636 0.629642 Cl\n0.186364 0.629642 0.061474 Cl\n0.561474 0.313636 0.129642 Cl\n0.178055 0.658908 0.560448 Cl\n0.841092 0.939552 0.321945 Cl\n0.061474 0.186364 0.629642 Cl\n0.560448 0.821945 0.341092 Cl\n0.321945 0.841092 0.939552 Cl\n0.686364 0.870358 0.561474 Cl\n0.439552 0.821945 0.658908 Cl\n0.313636 0.870358 0.438526 Cl\n0.114635 0.885365 0.114635 Cl\n0.629642 0.061474 0.186364 Cl\n0.614635 0.614635 0.614635 Cl\n0.686364 0.129642 0.438526 Cl\n0.370358 0.938526 0.186364 Cl\n0.341092 0.560448 0.821945 Cl\n0.439552 0.178055 0.341092 Cl\n0.885365 0.114635 0.114635 Cl\n0.129642 0.438526 0.686364 Cl\n0.821945 0.341092 0.560448 Cl\n0.438526 0.686364 0.129642 Cl\n0.060448 0.321945 0.158908 Cl\n0.178055 0.341092 0.439552 Cl\n0.438526 0.313636 0.870358 Cl\n0.370358 0.061474 0.813636 Cl\n0.821945 0.658908 0.439552 Cl\n0.114635 0.114635 0.885365 Cl\n0.158908 0.060448 0.321945 Cl\n0.678055 0.158908 0.939552 Cl\n0.186364 0.370358 0.938526 Cl\n0.939552 0.321945 0.841092 Cl\n0.813636 0.370358 0.061474 Cl\n0.885365 0.885365 0.885365 Cl\n0.870358 0.438526 0.313636 Cl\n0.129642 0.561474 0.313636 Cl\n0.560448 0.178055 0.658908 Cl\n0.061474 0.813636 0.370358 Cl\n0.658908 0.439552 0.821945 Cl\n0.561474 0.686364 0.870358 Cl\n0.313636 0.129642 0.561474 Cl\n0.870358 0.561474 0.686364 Cl\n0.158908 0.939552 0.678055 Cl\n0.060448 0.678055 0.841092 Cl\n0.841092 0.060448 0.678055 Cl\n0.341092 0.439552 0.178055 Cl\n0.614635 0.385365 0.385365 Cl\n0.678055 0.841092 0.060448 Cl\n0.321945 0.158908 0.060448 Cl\n0.629642 0.938526 0.813636 Cl\n0.658908 0.560448 0.178055 Cl\n0.385365 0.385365 0.614635 Cl\n0.385365 0.614635 0.385365 Cl\n0.938526 0.186364 0.370358 Cl\n0.813636 0.629642 0.938526 Cl\n","nsites":84,"nelements":3,"elements":["Mo","Pb","Cl"],"chemical_system":"Cl-Mo-Pb","density":3.791334529384044,"density_atomic":0.03748262205486595,"volume":2241.038523853622,"volume_molar":16.066487427653726,"formula_full":"Mo24 Pb4 Cl56","formula_reduced":"Mo6PbCl14","formula_anonymous":"AB6C14","energy":-495.28897327,"energy_per_atom":-5.896297300833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-460.90497327,"band_gap":2.6058000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.13e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:40:01.157000Z","spacegroup":201},{"id":"mp-1370177","created_at":"2022-09-04T14:48:30.717095Z","structure_string":"V8 O18\n1.0\n8.492854 0.000000 0.000000\n0.000000 8.492854 0.000000\n0.000000 0.000000 5.021445\nV O\n8 18\ndirect\n0.093168 0.781847 0.616303 V\n0.218153 0.093168 0.383697 V\n0.718153 0.593168 0.616303 V\n0.593168 0.281847 0.383697 V\n0.906832 0.218153 0.616303 V\n0.281847 0.406832 0.616303 V\n0.406832 0.718153 0.383697 V\n0.781847 0.906832 0.383697 V\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.764216 0.919776 0.066110 O\n0.419776 0.735784 0.066110 O\n0.580224 0.264216 0.066110 O\n0.235784 0.080224 0.066110 O\n0.735784 0.580224 0.933890 O\n0.080224 0.764216 0.933890 O\n0.919776 0.235784 0.933890 O\n0.264216 0.419776 0.933890 O\n0.106329 0.287112 0.486717 O\n0.787112 0.393671 0.486717 O\n0.212888 0.606329 0.486717 O\n0.893671 0.712888 0.486717 O\n0.606329 0.787112 0.513283 O\n0.712888 0.106329 0.513283 O\n0.287112 0.893671 0.513283 O\n0.393671 0.212888 0.513283 O\n","nsites":26,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":3.188771816631414,"density_atomic":0.07178559779136845,"volume":362.18964249018563,"volume_molar":8.389065418807595,"formula_full":"V8 O18","formula_reduced":"V4O9","formula_anonymous":"A4B9","energy":-220.39374281,"energy_per_atom":-8.47668241576923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.42774281,"band_gap":0.0154,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.000918,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.950000Z","spacegroup":85},{"id":"mp-1190290","created_at":"2022-09-04T14:48:30.716987Z","structure_string":"B2 H16 N2\n1.0\n0.000000 0.000000 -4.089896\n0.000000 -4.142569 0.000000\n-8.640492 0.000000 0.000000\nB H N\n2 16 2\ndirect\n0.524243 0.454629 0.250000 B\n0.524243 0.545371 0.750000 B\n0.899827 0.849855 0.565834 H\n0.899827 0.150145 0.434166 H\n0.899827 0.849855 0.934166 H\n0.899827 0.150145 0.065834 H\n0.191332 0.137309 0.573152 H\n0.191332 0.862691 0.426848 H\n0.191332 0.137309 0.926848 H\n0.191332 0.862691 0.073152 H\n0.649727 0.572869 0.134731 H\n0.649727 0.427131 0.865269 H\n0.649727 0.572869 0.365269 H\n0.649727 0.427131 0.634731 H\n0.571029 0.160706 0.250000 H\n0.571029 0.839294 0.750000 H\n0.228426 0.504889 0.250000 H\n0.228426 0.495111 0.750000 H\n0.046530 0.000000 0.500000 N\n0.046530 0.000000 0.000000 N\n","nsites":20,"nelements":3,"elements":["B","H","N"],"chemical_system":"B-H-N","density":0.7459445203592099,"density_atomic":0.1366184984105289,"volume":146.3930597443797,"volume_molar":4.407998060338721,"formula_full":"B2 H16 N2","formula_reduced":"BH8N","formula_anonymous":"ABC8","energy":-88.66992506,"energy_per_atom":-4.4334962529999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.94792506,"band_gap":5.6111,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005412,"is_theoretical":false,"updated_at":"2021-11-28T01:39:53.491000Z","spacegroup":28},{"id":"mp-1106304","created_at":"2022-09-04T14:48:30.716126Z","structure_string":"Tm4 Ni4 O12\n1.0\n5.531035 0.000000 0.000000\n0.000000 5.158772 0.000000\n0.000000 5.123761 7.413321\nTm Ni O\n4 4 12\ndirect\n0.577866 0.727885 0.750837 Tm\n0.922134 0.727885 0.250837 Tm\n0.422134 0.272115 0.249163 Tm\n0.077866 0.272115 0.749163 Tm\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.962226 0.868063 0.744139 O\n0.537774 0.868063 0.244139 O\n0.037774 0.131937 0.255861 O\n0.462226 0.131937 0.755861 O\n0.813046 0.643253 0.554160 O\n0.686954 0.643253 0.054160 O\n0.186954 0.356747 0.445840 O\n0.313046 0.356747 0.945840 O\n0.701650 0.241172 0.442286 O\n0.798350 0.241172 0.942286 O\n0.298350 0.758828 0.557714 O\n0.201650 0.758828 0.057714 O\n","nsites":20,"nelements":3,"elements":["Tm","Ni","O"],"chemical_system":"Ni-O-Tm","density":8.65492732731107,"density_atomic":0.09455063488185272,"volume":211.52687155397024,"volume_molar":6.369222975102245,"formula_full":"Tm4 Ni4 O12","formula_reduced":"TmNiO3","formula_anonymous":"ABC3","energy":-150.97045686,"energy_per_atom":-7.548522843000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.56245686,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0001937,"is_theoretical":false,"updated_at":"2021-11-28T01:39:52.910000Z","spacegroup":14},{"id":"mp-1192146","created_at":"2022-09-04T14:48:30.714646Z","structure_string":"Nb4 Te16 Os4\n1.0\n3.778927 0.000000 0.000000\n0.000000 12.617303 0.000000\n0.000000 0.000000 13.657905\nNb Te Os\n4 16 4\ndirect\n0.500000 0.941140 0.505870 Nb\n0.000000 0.058860 0.005870 Nb\n0.500000 0.724624 0.989519 Nb\n0.000000 0.275376 0.489519 Nb\n0.500000 0.933526 0.895141 Te\n0.000000 0.066474 0.395141 Te\n0.500000 0.802897 0.354259 Te\n0.000000 0.197103 0.854259 Te\n0.500000 0.652293 0.591246 Te\n0.000000 0.347707 0.091246 Te\n0.500000 0.583207 0.137519 Te\n0.000000 0.416793 0.637519 Te\n0.500000 0.434890 0.899858 Te\n0.000000 0.565110 0.399858 Te\n0.500000 0.324741 0.347523 Te\n0.000000 0.675259 0.847523 Te\n0.500000 0.149915 0.603414 Te\n0.000000 0.850085 0.103414 Te\n0.500000 0.108864 0.147631 Te\n0.000000 0.891136 0.647631 Te\n0.500000 0.455071 0.502687 Os\n0.000000 0.544929 0.002687 Os\n0.500000 0.236882 0.989335 Os\n0.000000 0.763118 0.489335 Os\n","nsites":24,"nelements":3,"elements":["Nb","Te","Os"],"chemical_system":"Nb-Os-Te","density":8.093880873387944,"density_atomic":0.03685463539634437,"volume":651.2070935419041,"volume_molar":16.34025325508264,"formula_full":"Nb4 Te16 Os4","formula_reduced":"NbTe4Os","formula_anonymous":"ABC4","energy":-148.88951943,"energy_per_atom":-6.20372997625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.13751943,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0041068,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.158000Z","spacegroup":31},{"id":"mp-723897","created_at":"2022-09-04T14:48:30.712339Z","structure_string":"P4\n1.0\n9.200000 0.000000 0.000000\n0.000000 9.200000 0.000000\n0.000000 0.000000 7.400000\nP\n4\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.625000 P\n0.500000 0.000000 0.375000 P\n","nsites":4,"nelements":1,"elements":["P"],"chemical_system":"P","density":0.3284699703709865,"density_atomic":0.006386348541357994,"volume":626.3359999999999,"volume_molar":94.29708887638398,"formula_full":"P4","formula_reduced":"P","formula_anonymous":"A","energy":-7.57720448,"energy_per_atom":-1.89430112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.57720448,"band_gap":2.1942,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9999654,"is_theoretical":false,"updated_at":"2021-11-28T01:39:50.799000Z","spacegroup":129},{"id":"mp-631425","created_at":"2022-09-04T14:48:30.701031Z","structure_string":"Fe1 Tc2 Cl1\n1.0\n0.000000 2.998925 2.998925\n2.998925 0.000000 2.998925\n2.998925 2.998925 0.000000\nFe Tc Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n0.000000 0.000000 0.000000 Cl\n","nsites":4,"nelements":3,"elements":["Fe","Tc","Cl"],"chemical_system":"Cl-Fe-Tc","density":8.844125375689197,"density_atomic":0.0741537608057055,"volume":53.9419707987654,"volume_molar":8.121153525549373,"formula_full":"Fe1 Tc2 Cl1","formula_reduced":"FeTc2Cl","formula_anonymous":"ABC2","energy":-28.4920842,"energy_per_atom":-7.12302105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.8780842,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0263801,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.423000Z","spacegroup":225}]}