{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=81","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=79","results":[{"id":"mp-7135","created_at":"2022-09-04T14:48:19.923195Z","structure_string":"Tb2 S4\n1.0\n3.870371 0.000000 0.000000\n0.000000 3.870371 0.000000\n0.000000 0.000000 8.003959\nTb S\n2 4\ndirect\n0.000000 0.500000 0.274027 Tb\n0.500000 0.000000 0.725973 Tb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.367922 S\n0.000000 0.500000 0.632078 S\n","nsites":6,"nelements":2,"elements":["Tb","S"],"chemical_system":"S-Tb","density":6.1784806123685945,"density_atomic":0.0500427538861626,"volume":119.89747833719979,"volume_molar":12.033991521927799,"formula_full":"Tb2 S4","formula_reduced":"TbS2","formula_anonymous":"AB2","energy":-37.83434526,"energy_per_atom":-6.30572421,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.82234526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033237,"is_theoretical":false,"updated_at":"2021-11-28T01:38:53.487000Z","spacegroup":129},{"id":"mp-1103226","created_at":"2022-09-04T14:45:36.407232Z","structure_string":"Tb4 S8\n1.0\n3.923060 0.000000 0.000000\n0.000000 7.859106 0.000000\n0.000000 0.017953 7.950182\nTb S\n4 8\ndirect\n0.284590 0.628852 0.725100 Tb\n0.784590 0.871148 0.274900 Tb\n0.715410 0.371148 0.274900 Tb\n0.215410 0.128852 0.725100 Tb\n0.259870 0.625206 0.368533 S\n0.759870 0.874794 0.631467 S\n0.740130 0.374794 0.631467 S\n0.240130 0.125206 0.368533 S\n0.836370 0.610964 0.997166 S\n0.336370 0.889036 0.002834 S\n0.163630 0.389036 0.002834 S\n0.663630 0.110964 0.997166 S\n","nsites":12,"nelements":2,"elements":["Tb","S"],"chemical_system":"S-Tb","density":6.044307705994001,"density_atomic":0.04895601716994573,"volume":245.11797923313995,"volume_molar":12.30112478123938,"formula_full":"Tb4 S8","formula_reduced":"TbS2","formula_anonymous":"AB2","energy":-76.38072295,"energy_per_atom":-6.365060245833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.35672295,"band_gap":0.3147999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0080037,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.573000Z","spacegroup":14},{"id":"mp-1208306","created_at":"2022-09-04T14:46:16.993565Z","structure_string":"Tb1 S3\n1.0\n-2.943554 -5.098385 0.000000\n-2.260405 4.703969 0.000000\n0.000000 0.000000 -12.321276\nTb S\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.000000 S\n","nsites":4,"nelements":2,"elements":["Tb","S"],"chemical_system":"S-Tb","density":1.3552029003957229,"density_atomic":0.012795878693900578,"volume":312.6006502317565,"volume_molar":47.06312793407911,"formula_full":"Tb1 S3","formula_reduced":"TbS3","formula_anonymous":"AB3","energy":-18.03535209,"energy_per_atom":-4.5088380225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.52635209,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.959238,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.057000Z","spacegroup":65},{"id":"mp-1095641","created_at":"2022-09-04T14:46:54.837815Z","structure_string":"Tb5 S7\n1.0\n1.913664 6.451114 0.000000\n-1.913664 6.451114 0.000000\n0.000000 2.957595 11.274428\nTb S\n5 7\ndirect\n0.000000 0.000000 0.000000 Tb\n0.112402 0.112402 0.578529 Tb\n0.887598 0.887598 0.421471 Tb\n0.301212 0.301212 0.811586 Tb\n0.698788 0.698788 0.188414 Tb\n0.500000 0.500000 0.500000 S\n0.659844 0.659844 0.948755 S\n0.340156 0.340156 0.051245 S\n0.959032 0.959032 0.785016 S\n0.040968 0.040968 0.214984 S\n0.258937 0.258937 0.351814 S\n0.741063 0.741063 0.648186 S\n","nsites":12,"nelements":2,"elements":["Tb","S"],"chemical_system":"S-Tb","density":6.079014859886533,"density_atomic":0.043107846664140005,"volume":278.3715942365176,"volume_molar":13.969941033982614,"formula_full":"Tb5 S7","formula_reduced":"Tb5S7","formula_anonymous":"A5B7","energy":-80.50251971,"energy_per_atom":-6.708543309166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.98151971,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0178439,"is_theoretical":false,"updated_at":"2021-11-28T01:37:44.464000Z","spacegroup":12},{"id":"mp-1610","created_at":"2022-09-04T14:42:28.479836Z","structure_string":"Tb1 S1\n1.0\n0.000000 2.776607 2.776607\n2.776607 0.000000 2.776607\n2.776607 2.776607 0.000000\nTb S\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 S\n","nsites":2,"nelements":2,"elements":["Tb","S"],"chemical_system":"S-Tb","density":7.407766487379315,"density_atomic":0.04671504347693532,"volume":42.81276118232583,"volume_molar":12.891223708211509,"formula_full":"Tb1 S1","formula_reduced":"TbS","formula_anonymous":"AB","energy":-13.28725098,"energy_per_atom":-6.64362549,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.78425098,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004877,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.226000Z","spacegroup":225},{"id":"mp-1217994","created_at":"2022-09-04T14:42:15.314469Z","structure_string":"Ta2 Zn1 S4\n1.0\n1.703841 -2.951139 0.000000\n1.703841 2.951139 0.000000\n0.000000 0.000000 12.483895\nTa Zn S\n2 1 4\ndirect\n0.000000 0.000000 0.248311 Ta\n0.000000 0.000000 0.751689 Ta\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.374544 S\n0.666667 0.333333 0.625456 S\n0.666667 0.333333 0.873180 S\n0.333333 0.666667 0.126820 S\n","nsites":7,"nelements":3,"elements":["Ta","Zn","S"],"chemical_system":"S-Ta-Zn","density":7.348267451988901,"density_atomic":0.05575697541958465,"volume":125.54482999343699,"volume_molar":10.800694827296391,"formula_full":"Ta2 Zn1 S4","formula_reduced":"Ta2ZnS4","formula_anonymous":"AB2C4","energy":-49.39292225,"energy_per_atom":-7.05613175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.38092225,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002947,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.883000Z","spacegroup":164},{"id":"mp-1218062","created_at":"2022-09-04T14:39:40.019257Z","structure_string":"Ta3 W1 S8\n1.0\n-1.654145 2.870024 13.025076\n1.654145 -2.870024 13.025076\n1.654145 2.870024 -13.025076\nTa W S\n3 1 8\ndirect\n0.004214 0.000000 0.004214 Ta\n0.749303 0.750020 0.999282 Ta\n0.249262 0.249980 0.999282 Ta\n0.497507 0.500000 0.997507 W\n0.231053 0.559844 0.671209 S\n0.720969 0.058728 0.662241 S\n0.523407 0.189502 0.333906 S\n0.023201 0.689483 0.333717 S\n0.644234 0.310517 0.333717 S\n0.144404 0.810498 0.333906 S\n0.111365 0.440156 0.671209 S\n0.603514 0.941272 0.662241 S\n","nsites":12,"nelements":3,"elements":["Ta","W","S"],"chemical_system":"S-Ta-W","density":6.600748912633247,"density_atomic":0.04851565328260744,"volume":247.34285097840626,"volume_molar":12.41277887143055,"formula_full":"Ta3 W1 S8","formula_reduced":"Ta3WS8","formula_anonymous":"AB3C8","energy":-97.32964433,"energy_per_atom":-8.110803694166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.30564433,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0707366,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.353000Z","spacegroup":44},{"id":"mp-1190092","created_at":"2022-09-04T14:40:24.754486Z","structure_string":"Ta6 V2 S12\n1.0\n2.888881 -5.003689 0.000000\n2.888881 5.003689 0.000000\n0.000000 0.000000 12.250224\nTa V S\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.997661 Ta\n0.666667 0.333333 0.002339 Ta\n0.666667 0.333333 0.497661 Ta\n0.333333 0.666667 0.502339 Ta\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.331713 0.333751 0.371421 S\n0.666249 0.997962 0.371421 S\n0.002038 0.668287 0.371421 S\n0.333751 0.331713 0.628579 S\n0.997962 0.666249 0.628579 S\n0.668287 0.002038 0.628579 S\n0.668287 0.666249 0.871421 S\n0.333751 0.002038 0.871421 S\n0.997962 0.331713 0.871421 S\n0.666249 0.668287 0.128579 S\n0.002038 0.333751 0.128579 S\n0.331713 0.997962 0.128579 S\n","nsites":20,"nelements":3,"elements":["Ta","V","S"],"chemical_system":"S-Ta-V","density":7.372323991418945,"density_atomic":0.0564723692738397,"volume":354.15549687703316,"volume_molar":10.66387126560617,"formula_full":"Ta6 V2 S12","formula_reduced":"Ta3VS6","formula_anonymous":"AB3C6","energy":-167.77865877,"energy_per_atom":-8.3889329385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.74265877,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0130828,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.732000Z","spacegroup":182},{"id":"mp-1217833","created_at":"2022-09-04T14:42:59.045706Z","structure_string":"Ta1 Tl6 V1 S8\n1.0\n7.756439 0.000000 0.000000\n0.000000 7.756439 0.000000\n0.000000 0.000000 7.756439\nTa Tl V S\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 V\n0.338395 0.338395 0.661605 S\n0.829770 0.829770 0.170230 S\n0.338395 0.661605 0.338395 S\n0.829770 0.170230 0.829770 S\n0.170230 0.829770 0.829770 S\n0.661605 0.338395 0.338395 S\n0.661605 0.661605 0.661605 S\n0.170230 0.170230 0.170230 S\n","nsites":16,"nelements":4,"elements":["Ta","Tl","V","S"],"chemical_system":"S-Ta-Tl-V","density":6.101722132178628,"density_atomic":0.03428726456910713,"volume":466.6455665412289,"volume_molar":17.56378304213267,"formula_full":"Ta1 Tl6 V1 S8","formula_reduced":"TaTl6VS8","formula_anonymous":"ABC6D8","energy":-82.53714806,"energy_per_atom":-5.15857175375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.51314806,"band_gap":2.1011,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.141000Z","spacegroup":215},{"id":"mp-18344","created_at":"2022-09-04T14:45:36.783089Z","structure_string":"Ta4 Tl8 S22\n1.0\n-8.210356 0.000000 0.000000\n0.818262 9.159845 0.000000\n-0.188607 -4.112402 -12.850408\nTa Tl S\n4 8 22\ndirect\n0.333592 0.887712 0.191678 Ta\n0.666408 0.112288 0.808322 Ta\n0.125965 0.641300 0.306558 Ta\n0.874035 0.358700 0.693442 Ta\n0.230924 0.577822 0.585112 Tl\n0.769076 0.422178 0.414888 Tl\n0.498392 0.739050 0.890889 Tl\n0.501608 0.260950 0.109111 Tl\n0.212481 0.034070 0.575349 Tl\n0.787519 0.965930 0.424651 Tl\n0.046371 0.240662 0.976100 Tl\n0.953629 0.759338 0.023900 Tl\n0.004057 0.288557 0.534388 S\n0.995943 0.711443 0.465612 S\n0.385211 0.811382 0.371889 S\n0.614789 0.188618 0.628111 S\n0.048301 0.364003 0.248971 S\n0.951699 0.635997 0.751029 S\n0.096993 0.506226 0.811683 S\n0.903007 0.493774 0.188317 S\n0.389590 0.578030 0.354198 S\n0.610410 0.421970 0.645802 S\n0.362650 0.129533 0.332125 S\n0.637350 0.870467 0.667875 S\n0.727013 0.043699 0.953867 S\n0.272987 0.956301 0.046133 S\n0.514810 0.685385 0.119925 S\n0.485190 0.314615 0.880075 S\n0.730610 0.395928 0.885147 S\n0.269390 0.604072 0.114853 S\n0.952826 0.135170 0.746639 S\n0.047174 0.864830 0.253361 S\n0.580552 0.068485 0.254604 S\n0.419448 0.931515 0.745396 S\n","nsites":34,"nelements":3,"elements":["Ta","Tl","S"],"chemical_system":"S-Ta-Tl","density":5.265160768504962,"density_atomic":0.035181300313954174,"volume":966.4224942394859,"volume_molar":17.117447923354334,"formula_full":"Ta4 Tl8 S22","formula_reduced":"Ta2Tl4S11","formula_anonymous":"A2B4C11","energy":-187.8034891,"energy_per_atom":-5.523632032352942,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.7374891,"band_gap":1.3621999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042349,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.306000Z","spacegroup":2},{"id":"mp-10795","created_at":"2022-09-04T14:47:57.915543Z","structure_string":"Ta4 Tl4 S12\n1.0\n3.523493 0.000000 0.000000\n0.000000 9.427065 0.000000\n0.000000 0.000000 14.724654\nTa Tl S\n4 4 12\ndirect\n0.250000 0.159063 0.430385 Ta\n0.750000 0.840937 0.569615 Ta\n0.250000 0.659063 0.069615 Ta\n0.750000 0.340937 0.930385 Ta\n0.750000 0.016587 0.172545 Tl\n0.250000 0.983413 0.827455 Tl\n0.750000 0.516587 0.327455 Tl\n0.250000 0.483413 0.672545 Tl\n0.250000 0.022812 0.596199 S\n0.750000 0.977188 0.403801 S\n0.250000 0.522812 0.903801 S\n0.750000 0.477188 0.096199 S\n0.250000 0.248931 0.288097 S\n0.750000 0.751069 0.711903 S\n0.250000 0.748931 0.211903 S\n0.750000 0.251069 0.788097 S\n0.250000 0.193078 0.998410 S\n0.750000 0.806922 0.001590 S\n0.250000 0.693078 0.501590 S\n0.750000 0.306922 0.498410 S\n","nsites":20,"nelements":3,"elements":["Ta","Tl","S"],"chemical_system":"S-Ta-Tl","density":6.539340927594236,"density_atomic":0.040891682729701874,"volume":489.09701594336445,"volume_molar":14.727055376534524,"formula_full":"Ta4 Tl4 S12","formula_reduced":"TaTlS3","formula_anonymous":"ABC3","energy":-128.3291453,"energy_per_atom":-6.416457265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.2931453,"band_gap":0.5957999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031285,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.173000Z","spacegroup":62},{"id":"mp-7562","created_at":"2022-09-04T14:48:00.340781Z","structure_string":"Ta1 Tl3 S4\n1.0\n-3.920591 3.920591 3.920591\n3.920591 -3.920591 3.920591\n3.920591 3.920591 -3.920591\nTa Tl S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.662628 0.662628 0.662628 S\n0.000000 0.337372 0.000000 S\n0.337372 0.000000 0.000000 S\n0.000000 0.000000 0.337372 S\n","nsites":8,"nelements":3,"elements":["Ta","Tl","S"],"chemical_system":"S-Ta-Tl","density":6.353805344219704,"density_atomic":0.03318756429441457,"volume":241.05414693980393,"volume_molar":18.14577504566528,"formula_full":"Ta1 Tl3 S4","formula_reduced":"TaTl3S4","formula_anonymous":"AB3C4","energy":-42.97729573,"energy_per_atom":-5.37216196625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.96529573,"band_gap":2.5325,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000908,"is_theoretical":false,"updated_at":"2021-11-28T01:38:30.768000Z","spacegroup":217}]}