{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=12150","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=12148","results":[{"id":"mp-1183032","created_at":"2022-09-04T14:41:20.218524Z","structure_string":"Ag24 S8 N8 O32\n1.0\n8.792345 0.000000 0.000000\n0.000000 11.295069 0.000000\n0.000000 9.497986 11.366415\nAg S N O\n24 8 8 32\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.496217 0.504187 0.252341 Ag\n0.003783 0.504187 0.752341 Ag\n0.503783 0.495813 0.747659 Ag\n0.996217 0.495813 0.247659 Ag\n0.250384 0.752020 0.600132 Ag\n0.249616 0.752020 0.100132 Ag\n0.749616 0.247980 0.399868 Ag\n0.750384 0.247980 0.899868 Ag\n0.251433 0.261579 0.383016 Ag\n0.248567 0.261579 0.883016 Ag\n0.748567 0.738421 0.616984 Ag\n0.751433 0.738421 0.116984 Ag\n0.504557 0.250054 0.577957 Ag\n0.995443 0.250054 0.077957 Ag\n0.495443 0.749946 0.422043 Ag\n0.004557 0.749946 0.922043 Ag\n0.521392 0.742803 0.926846 Ag\n0.978608 0.742803 0.426846 Ag\n0.478608 0.257197 0.073154 Ag\n0.021392 0.257197 0.573154 Ag\n0.748678 0.952682 0.676113 S\n0.751322 0.952682 0.176113 S\n0.251322 0.047318 0.323887 S\n0.248678 0.047318 0.823887 S\n0.266376 0.554338 0.874001 S\n0.233624 0.554338 0.374001 S\n0.733624 0.445662 0.125999 S\n0.766376 0.445662 0.625999 S\n0.254264 0.512899 0.784345 N\n0.245736 0.512899 0.284345 N\n0.745736 0.487101 0.215655 N\n0.754264 0.487101 0.715655 N\n0.749393 0.980494 0.550007 N\n0.750607 0.980494 0.050007 N\n0.250607 0.019506 0.449993 N\n0.249393 0.019506 0.949993 N\n0.153488 0.676371 0.831013 O\n0.346512 0.676371 0.331013 O\n0.846512 0.323629 0.168987 O\n0.653488 0.323629 0.668987 O\n0.425724 0.603670 0.865255 O\n0.074276 0.603670 0.365255 O\n0.574276 0.396330 0.134745 O\n0.925724 0.396330 0.634745 O\n0.266326 0.410833 0.496201 O\n0.233674 0.410833 0.996201 O\n0.733674 0.589167 0.503799 O\n0.766326 0.589167 0.003799 O\n0.856968 0.826126 0.754757 O\n0.643032 0.826126 0.254757 O\n0.143032 0.173874 0.245243 O\n0.356968 0.173874 0.745243 O\n0.792947 0.100421 0.646824 O\n0.707053 0.100421 0.146824 O\n0.207053 0.899579 0.353176 O\n0.292947 0.899579 0.853176 O\n0.089668 0.087186 0.780316 O\n0.410332 0.087186 0.280316 O\n0.910332 0.912814 0.219684 O\n0.589668 0.912814 0.719684 O\n0.503561 0.760189 0.073556 O\n0.996439 0.760189 0.573556 O\n0.496439 0.239811 0.926444 O\n0.003561 0.239811 0.426444 O\n0.501331 0.755967 0.572685 O\n0.998669 0.755967 0.072685 O\n0.498669 0.244033 0.427315 O\n0.001331 0.244033 0.927315 O\n","nsites":72,"nelements":4,"elements":["Ag","S","N","O"],"chemical_system":"Ag-N-O-S","density":5.103701340140334,"density_atomic":0.06378453277947425,"volume":1128.800304125916,"volume_molar":9.441381001912605,"formula_full":"Ag24 S8 N8 O32","formula_reduced":"Ag3SNO4","formula_anonymous":"ABC3D4","energy":-371.079633,"energy_per_atom":-5.153883791666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.207633,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0515569,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.022000Z","spacegroup":14},{"id":"mp-556747","created_at":"2022-09-04T14:47:28.853317Z","structure_string":"Ag12 S4 N4 O12\n1.0\n8.047341 0.000000 0.000000\n0.000000 8.047341 0.000000\n0.000000 0.000000 8.047341\nAg S N O\n12 4 4 12\ndirect\n0.315672 0.980520 0.358120 Ag\n0.480520 0.141880 0.684328 Ag\n0.019480 0.858120 0.184328 Ag\n0.815672 0.519480 0.641880 Ag\n0.358120 0.315672 0.980520 Ag\n0.519480 0.641880 0.815672 Ag\n0.684328 0.480520 0.141880 Ag\n0.141880 0.684328 0.480520 Ag\n0.641880 0.815672 0.519480 Ag\n0.980520 0.358120 0.315672 Ag\n0.858120 0.184328 0.019480 Ag\n0.184328 0.019480 0.858120 Ag\n0.856830 0.643170 0.356830 S\n0.143170 0.143170 0.143170 S\n0.643170 0.356830 0.856830 S\n0.356830 0.856830 0.643170 S\n0.079273 0.579273 0.920727 N\n0.920727 0.079273 0.579273 N\n0.420727 0.420727 0.420727 N\n0.579273 0.920727 0.079273 N\n0.691110 0.921319 0.967788 O\n0.467788 0.808890 0.078681 O\n0.078681 0.467788 0.808890 O\n0.921319 0.967788 0.691110 O\n0.032212 0.191110 0.578681 O\n0.967788 0.691110 0.921319 O\n0.308890 0.421319 0.532212 O\n0.578681 0.032212 0.191110 O\n0.191110 0.578681 0.032212 O\n0.808890 0.078681 0.467788 O\n0.532212 0.308890 0.421319 O\n0.421319 0.532212 0.308890 O\n","nsites":32,"nelements":4,"elements":["Ag","S","N","O"],"chemical_system":"Ag-N-O-S","density":5.323409022346466,"density_atomic":0.06140344879412667,"volume":521.1433661859861,"volume_molar":9.807495960350726,"formula_full":"Ag12 S4 N4 O12","formula_reduced":"Ag3SNO3","formula_anonymous":"ABC3D3","energy":-160.07445351,"energy_per_atom":-5.0023266721875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.81845351,"band_gap":1.0703,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024591,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.598000Z","spacegroup":198},{"id":"mp-1182998","created_at":"2022-09-04T14:44:25.448247Z","structure_string":"Ag12 S4 N12 O12\n1.0\n6.738205 0.000000 0.000000\n0.000000 9.365690 0.000000\n0.000000 0.000000 12.168573\nAg S N O\n12 4 12 12\ndirect\n0.250000 0.753687 0.740697 Ag\n0.750000 0.246313 0.259303 Ag\n0.750000 0.753687 0.759303 Ag\n0.250000 0.246313 0.240697 Ag\n0.026542 0.457667 0.385880 Ag\n0.526542 0.542333 0.614120 Ag\n0.973458 0.457667 0.114120 Ag\n0.473458 0.542333 0.885880 Ag\n0.973458 0.542333 0.614120 Ag\n0.473458 0.457667 0.385880 Ag\n0.026542 0.542333 0.885880 Ag\n0.526542 0.457667 0.114120 Ag\n0.250000 0.757617 0.478920 S\n0.750000 0.242383 0.521080 S\n0.750000 0.757617 0.021080 S\n0.250000 0.242383 0.978920 S\n0.250000 0.649584 0.580987 N\n0.750000 0.350416 0.419013 N\n0.750000 0.649584 0.919013 N\n0.250000 0.350416 0.080987 N\n0.250000 0.624378 0.358878 N\n0.750000 0.375622 0.641122 N\n0.750000 0.624378 0.141122 N\n0.250000 0.375622 0.858878 N\n0.250000 0.135344 0.381624 N\n0.750000 0.864656 0.618376 N\n0.750000 0.135344 0.118376 N\n0.250000 0.864656 0.881624 N\n0.063319 0.831684 0.464916 O\n0.563319 0.168316 0.535084 O\n0.936681 0.831684 0.035084 O\n0.436681 0.168316 0.964916 O\n0.936681 0.168316 0.535084 O\n0.436681 0.831684 0.464916 O\n0.063319 0.168316 0.964916 O\n0.563319 0.831684 0.035084 O\n0.250000 0.680228 0.266126 O\n0.750000 0.319772 0.733874 O\n0.750000 0.680228 0.233874 O\n0.250000 0.319772 0.766126 O\n","nsites":40,"nelements":4,"elements":["Ag","S","N","O"],"chemical_system":"Ag-N-O-S","density":3.854928099600998,"density_atomic":0.05208783914371265,"volume":767.9335648698775,"volume_molar":11.561510054937482,"formula_full":"Ag12 S4 N12 O12","formula_reduced":"Ag3S(NO)3","formula_anonymous":"AB3C3D3","energy":-202.66469617,"energy_per_atom":-5.0666174042500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-190.08869617,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.4317824,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.184000Z","spacegroup":57},{"id":"mp-17568","created_at":"2022-09-04T14:41:08.139450Z","structure_string":"Ag6 Sn4 Ge6 P12\n1.0\n-5.313219 5.313219 5.313219\n5.313219 -5.313219 5.313219\n5.313219 5.313219 -5.313219\nAg Sn Ge P\n6 4 6 12\ndirect\n0.196127 0.196127 0.000000 Ag\n0.803873 0.803873 0.000000 Ag\n0.000000 0.196127 0.196127 Ag\n0.000000 0.803873 0.803873 Ag\n0.803873 0.000000 0.803873 Ag\n0.196127 0.000000 0.196127 Ag\n0.411549 0.411549 0.411549 Sn\n0.588451 0.000000 0.000000 Sn\n0.000000 0.000000 0.588451 Sn\n0.000000 0.588451 0.000000 Sn\n0.250000 0.750000 0.500000 Ge\n0.750000 0.250000 0.500000 Ge\n0.750000 0.500000 0.250000 Ge\n0.500000 0.750000 0.250000 Ge\n0.250000 0.500000 0.750000 Ge\n0.500000 0.250000 0.750000 Ge\n0.509454 0.509454 0.749271 P\n0.000000 0.490546 0.239817 P\n0.490546 0.000000 0.239817 P\n0.509454 0.749271 0.509454 P\n0.239817 0.490546 0.000000 P\n0.490546 0.239817 0.000000 P\n0.760183 0.760183 0.250729 P\n0.760183 0.250729 0.760183 P\n0.749271 0.509454 0.509454 P\n0.239817 0.000000 0.490546 P\n0.000000 0.239817 0.490546 P\n0.250729 0.760183 0.760183 P\n","nsites":28,"nelements":4,"elements":["Ag","Sn","Ge","P"],"chemical_system":"Ag-Ge-P-Sn","density":5.340445300301106,"density_atomic":0.04666861248736731,"volume":599.9749833483756,"volume_molar":12.904049293580622,"formula_full":"Ag6 Sn4 Ge6 P12","formula_reduced":"Ag3Sn2(GeP2)3","formula_anonymous":"A2B3C3D6","energy":-126.8950253,"energy_per_atom":-4.531965189285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.8950253,"band_gap":0.2154999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001557,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.063000Z","spacegroup":217},{"id":"mp-611","created_at":"2022-09-04T14:47:21.314059Z","structure_string":"Ag6 Sn2\n1.0\n4.928945 0.000000 0.000000\n0.000000 5.299566 0.000000\n0.000000 0.000000 5.978397\nAg Sn\n6 2\ndirect\n0.000000 0.336586 0.250316 Ag\n0.000000 0.336586 0.749684 Ag\n0.500000 0.663414 0.249684 Ag\n0.500000 0.663414 0.750316 Ag\n0.000000 0.826213 0.500000 Ag\n0.500000 0.173787 0.000000 Ag\n0.000000 0.831797 0.000000 Sn\n0.500000 0.168203 0.500000 Sn\n","nsites":8,"nelements":2,"elements":["Ag","Sn"],"chemical_system":"Ag-Sn","density":9.406571034458798,"density_atomic":0.05122841964341754,"volume":156.163318245714,"volume_molar":11.755468550304576,"formula_full":"Ag6 Sn2","formula_reduced":"Ag3Sn","formula_anonymous":"AB3","energy":-25.16803024,"energy_per_atom":-3.14600378,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.16803024,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008548,"is_theoretical":false,"updated_at":"2021-11-28T01:38:03.113000Z","spacegroup":59},{"id":"mp-1229107","created_at":"2022-09-04T14:45:30.121935Z","structure_string":"Ag3 Sn1\n1.0\n1.555468 -2.694149 0.000000\n1.555468 2.694149 0.000000\n0.000000 0.000000 9.678594\nAg Sn\n3 1\ndirect\n0.333333 0.666667 0.500000 Ag\n0.000000 0.000000 0.261222 Ag\n0.000000 0.000000 0.738778 Ag\n0.333333 0.666667 0.000000 Sn\n","nsites":4,"nelements":2,"elements":["Ag","Sn"],"chemical_system":"Ag-Sn","density":9.054311103109846,"density_atomic":0.049310003302266314,"volume":81.11944295522198,"volume_molar":12.21281759622843,"formula_full":"Ag3 Sn1","formula_reduced":"Ag3Sn","formula_anonymous":"AB3","energy":-12.18134942,"energy_per_atom":-3.045337355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.18134942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011362,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.035000Z","spacegroup":187},{"id":"mp-1215096","created_at":"2022-09-04T14:39:32.959654Z","structure_string":"Ag3 S1 I3\n1.0\n11.521519 8.670165 0.000000\n-11.521519 8.670165 0.000000\n0.000000 0.322875 17.586674\nAg S I\n3 1 3\ndirect\n0.615381 0.894947 0.897031 Ag\n0.894947 0.615381 0.897031 Ag\n0.884372 0.884372 0.623752 Ag\n0.999053 0.999053 0.999350 S\n0.000262 0.000262 0.530390 I\n0.539229 0.989154 0.988894 I\n0.989154 0.539229 0.988894 I\n","nsites":7,"nelements":3,"elements":["Ag","S","I"],"chemical_system":"Ag-I-S","density":0.34801827134173396,"density_atomic":0.0019922655636191895,"volume":3513.5878106951063,"volume_molar":302.2760052660881,"formula_full":"Ag3 S1 I3","formula_reduced":"Ag3SI3","formula_anonymous":"AB3C3","energy":-12.23428454,"energy_per_atom":-1.7477549342857144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.59428454,"band_gap":0.3659999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9988092,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.328000Z","spacegroup":8},{"id":"mp-1215087","created_at":"2022-09-04T14:45:07.252917Z","structure_string":"Ag3 S1 I3\n1.0\n14.136630 0.000000 0.000000\n-4.347368 13.589017 0.000000\n-0.045737 -0.452260 17.406178\nAg S I\n3 1 3\ndirect\n0.884006 0.618646 0.903913 Ag\n0.618375 0.903662 0.884349 Ag\n0.893167 0.871371 0.626191 Ag\n0.998961 0.998873 0.999432 S\n0.000054 0.000579 0.536315 I\n0.988468 0.544548 0.989634 I\n0.544638 0.989992 0.987836 I\n","nsites":7,"nelements":3,"elements":["Ag","S","I"],"chemical_system":"Ag-I-S","density":0.36569203699733177,"density_atomic":0.0020934408109973593,"volume":3343.7773655826704,"volume_molar":287.66711379486884,"formula_full":"Ag3 S1 I3","formula_reduced":"Ag3SI3","formula_anonymous":"AB3C3","energy":-12.19866508,"energy_per_atom":-1.74266644,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.55866508,"band_gap":0.2799999999999993,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0134736,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51Z","spacegroup":1},{"id":"mp-1173025","created_at":"2022-09-04T14:40:23.209423Z","structure_string":"Ag6 S2 I2\n1.0\n0.000000 5.002253 5.060553\n4.883798 0.000000 5.060553\n4.883798 5.002253 0.000000\nAg S I\n6 2 2\ndirect\n0.942018 0.942018 0.557983 Ag\n0.450919 0.056245 0.943755 Ag\n0.952386 0.952386 0.047614 Ag\n0.442018 0.442018 0.057983 Ag\n0.056245 0.450919 0.549081 Ag\n0.554126 0.554126 0.445874 Ag\n0.257180 0.758576 0.241424 S\n0.758576 0.257180 0.742820 S\n0.994992 0.496541 0.005008 I\n0.496541 0.994992 0.503459 I\n","nsites":10,"nelements":3,"elements":["Ag","S","I"],"chemical_system":"Ag-I-S","density":6.4817422363222,"density_atomic":0.04044349516195386,"volume":247.258550725043,"volume_molar":14.890257965798089,"formula_full":"Ag6 S2 I2","formula_reduced":"Ag3SI","formula_anonymous":"ABC3","energy":-30.78653433,"energy_per_atom":-3.078653433,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.02253433,"band_gap":0.4136000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000498,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.853000Z","spacegroup":42},{"id":"mp-676121","created_at":"2022-09-04T14:39:59.956647Z","structure_string":"Ag6 S2 I2\n1.0\n4.319690 0.000000 0.000000\n0.009313 4.732139 0.000000\n0.676556 0.077937 13.261198\nAg S I\n6 2 2\ndirect\n0.777606 0.448159 0.067256 Ag\n0.603943 0.943973 0.174344 Ag\n0.931039 0.515986 0.640338 Ag\n0.510401 0.806232 0.908946 Ag\n0.451152 0.976778 0.676063 Ag\n0.904014 0.296477 0.853540 Ag\n0.406232 0.486460 0.764913 S\n0.960842 0.962016 0.005592 S\n0.387208 0.446587 0.265220 I\n0.967561 0.017333 0.518788 I\n","nsites":10,"nelements":3,"elements":["Ag","S","I"],"chemical_system":"Ag-I-S","density":5.912215314641317,"density_atomic":0.03688987354884376,"volume":271.07710159969986,"volume_molar":16.32464462646214,"formula_full":"Ag6 S2 I2","formula_reduced":"Ag3SI","formula_anonymous":"ABC3","energy":-30.91394415,"energy_per_atom":-3.091394415,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.14994415,"band_gap":0.4407000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005631,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.405000Z","spacegroup":1},{"id":"mp-676561","created_at":"2022-09-04T14:43:10.384916Z","structure_string":"Ag3 S1 I1\n1.0\n3.503629 -3.565808 0.000000\n3.503629 3.565808 0.000000\n-0.125461 0.000000 4.997466\nAg S I\n3 1 1\ndirect\n0.921966 0.078034 0.500000 Ag\n0.500000 0.921966 0.078034 Ag\n0.078034 0.500000 0.921966 Ag\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 I\n","nsites":5,"nelements":3,"elements":["Ag","S","I"],"chemical_system":"Ag-I-S","density":6.417371315030583,"density_atomic":0.04004184619954385,"volume":124.86936728848829,"volume_molar":15.039618128468321,"formula_full":"Ag3 S1 I1","formula_reduced":"Ag3SI","formula_anonymous":"ABC3","energy":-15.43858265,"energy_per_atom":-3.0877165300000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.55658265,"band_gap":0.3330000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001742,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.818000Z","spacegroup":155},{"id":"mp-673825","created_at":"2022-09-04T14:43:22.978458Z","structure_string":"Ag6 S2 I2\n1.0\n7.168551 -0.029140 7.188220\n3.572598 4.970143 3.585031\n0.178889 -0.012870 7.008691\nAg S I\n6 2 2\ndirect\n0.066861 0.499084 0.003070 Ag\n0.051841 0.383993 0.493115 Ag\n0.543759 0.009374 0.497536 Ag\n0.576216 0.489560 0.004985 Ag\n0.435848 0.616121 0.495286 Ag\n0.938750 0.007667 0.492406 Ag\n0.234272 0.503876 0.503489 S\n0.731463 0.511070 0.505291 S\n0.008776 0.999714 0.997784 I\n0.509476 0.000554 0.997417 I\n","nsites":10,"nelements":3,"elements":["Ag","S","I"],"chemical_system":"Ag-I-S","density":6.567474042525696,"density_atomic":0.0409784275555913,"volume":244.03083760190674,"volume_molar":14.695880538193833,"formula_full":"Ag6 S2 I2","formula_reduced":"Ag3SI","formula_anonymous":"ABC3","energy":-30.80563733,"energy_per_atom":-3.080563733,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.04163733,"band_gap":0.2569999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009483,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.958000Z","spacegroup":1}]}