{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_full&page=10134","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_full&page=10132","results":[{"id":"mp-1078160","created_at":"2022-09-04T14:44:25.608959Z","structure_string":"Cr2 Co1 Se4\n1.0\n1.828047 6.301754 0.000000\n-1.828047 6.301754 0.000000\n0.000000 3.072886 5.572277\nCr Co Se\n2 1 4\ndirect\n0.260433 0.260433 0.718528 Cr\n0.739567 0.739567 0.281472 Cr\n0.000000 0.000000 0.000000 Co\n0.371579 0.371579 0.972279 Se\n0.628421 0.628421 0.027721 Se\n0.114960 0.114960 0.556946 Se\n0.885040 0.885040 0.443054 Se\n","nsites":7,"nelements":3,"elements":["Cr","Co","Se"],"chemical_system":"Co-Cr-Se","density":6.192419272142385,"density_atomic":0.054523853713917166,"volume":128.38417542399898,"volume_molar":11.044965367997921,"formula_full":"Cr2 Co1 Se4","formula_reduced":"Cr2CoSe4","formula_anonymous":"AB2C4","energy":-45.20688733,"energy_per_atom":-6.458126761428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.31888733,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9996017,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.064000Z","spacegroup":12},{"id":"mp-1399607","created_at":"2022-09-04T14:42:15.717827Z","structure_string":"Cr2 Co1 Se4\n1.0\n4.943340 0.000000 0.000000\n-0.790010 5.038443 0.000000\n-1.860291 -2.617595 5.587115\nCr Co Se\n2 1 4\ndirect\n0.387558 0.123753 0.235730 Cr\n0.612442 0.876247 0.764270 Cr\n0.000000 0.000000 0.000000 Co\n0.869066 0.178455 0.307353 Se\n0.497478 0.327780 0.803410 Se\n0.502522 0.672220 0.196590 Se\n0.130934 0.821545 0.692647 Se\n","nsites":7,"nelements":3,"elements":["Cr","Co","Se"],"chemical_system":"Co-Cr-Se","density":5.713041875396101,"density_atomic":0.05030296654441675,"volume":139.1568028859512,"volume_molar":11.971740781296749,"formula_full":"Cr2 Co1 Se4","formula_reduced":"Cr2CoSe4","formula_anonymous":"AB2C4","energy":-37.07758658,"energy_per_atom":-5.296798082857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.18958658,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.1322128,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.562000Z","spacegroup":2},{"id":"mp-676073","created_at":"2022-09-04T14:40:40.205985Z","structure_string":"Cr2 Co1 Se4\n1.0\n4.621620 0.718149 -2.033448\n-0.031434 4.996214 -4.070036\n-0.233225 -0.906043 6.833560\nCr Co Se\n2 1 4\ndirect\n0.640517 0.612442 0.376712 Cr\n0.359483 0.387558 0.623288 Cr\n0.000000 0.000000 0.000000 Co\n0.514192 0.130934 0.823580 Se\n0.868810 0.502522 0.699112 Se\n0.131190 0.497478 0.300888 Se\n0.485808 0.869066 0.176420 Se\n","nsites":7,"nelements":3,"elements":["Cr","Co","Se"],"chemical_system":"Co-Cr-Se","density":5.7130425712905355,"density_atomic":0.050302972671722526,"volume":139.15678593553582,"volume_molar":11.971739323042643,"formula_full":"Cr2 Co1 Se4","formula_reduced":"Cr2CoSe4","formula_anonymous":"AB2C4","energy":-43.78805747,"energy_per_atom":-6.255436781428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.90005747,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0264728,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.889000Z","spacegroup":2},{"id":"mp-1226370","created_at":"2022-09-04T14:45:35.717601Z","structure_string":"Cr2 Co1 Se3 S1\n1.0\n0.000000 3.634641 0.000000\n-0.028847 0.000000 6.258412\n5.475092 1.817321 -3.081413\nCr Co Se S\n2 1 3 1\ndirect\n0.257764 0.716713 0.484471 Cr\n0.733877 0.295081 0.532246 Cr\n0.002440 0.987167 0.995121 Co\n0.887362 0.439753 0.225277 Se\n0.370263 0.970308 0.259474 Se\n0.626254 0.031148 0.747492 Se\n0.122040 0.559830 0.755920 S\n","nsites":7,"nelements":4,"elements":["Cr","Co","Se","S"],"chemical_system":"Co-Cr-S-Se","density":5.773159118456773,"density_atomic":0.0563519613268865,"volume":124.21927888888187,"volume_molar":10.686656893922043,"formula_full":"Cr2 Co1 Se3 S1","formula_reduced":"Cr2CoSe3S","formula_anonymous":"ABC2D3","energy":-46.1548469,"energy_per_atom":-6.5935495571428575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.2358469,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.000175,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.029000Z","spacegroup":8},{"id":"mp-757291","created_at":"2022-09-04T14:45:18.179399Z","structure_string":"Cr2 Co1 Ni3 P6 O24\n1.0\n7.154967 -4.295684 0.000000\n7.154967 4.295684 0.000000\n4.575934 0.000000 6.979060\nCr Co Ni P O\n2 1 3 6 24\ndirect\n0.000551 0.000551 0.000551 Cr\n0.500274 0.500274 0.500274 Cr\n0.860284 0.860284 0.860284 Co\n0.357749 0.357749 0.357749 Ni\n0.141983 0.141983 0.141983 Ni\n0.641816 0.641816 0.641816 Ni\n0.458728 0.750214 0.044872 P\n0.750214 0.044872 0.458728 P\n0.044872 0.458728 0.750214 P\n0.950415 0.547096 0.248060 P\n0.248060 0.950415 0.547096 P\n0.547096 0.248060 0.950415 P\n0.666885 0.897823 0.498421 O\n0.897823 0.498421 0.666885 O\n0.498421 0.666885 0.897823 O\n0.253739 0.904409 0.054510 O\n0.615861 0.824673 0.002339 O\n0.439639 0.602697 0.252082 O\n0.904409 0.054510 0.253739 O\n0.602697 0.252082 0.439639 O\n0.990831 0.396071 0.171439 O\n0.252082 0.439639 0.602697 O\n0.937204 0.754750 0.087349 O\n0.171439 0.990831 0.396071 O\n0.824673 0.002339 0.615861 O\n0.054510 0.253739 0.904409 O\n0.744507 0.567861 0.397712 O\n0.002339 0.615861 0.824673 O\n0.397712 0.744507 0.567861 O\n0.087349 0.937204 0.754750 O\n0.567861 0.397712 0.744507 O\n0.396071 0.171439 0.990831 O\n0.754750 0.087349 0.937204 O\n0.513796 0.322016 0.101320 O\n0.101320 0.513796 0.322016 O\n0.322016 0.101320 0.513796 O\n","nsites":36,"nelements":5,"elements":["Cr","Co","Ni","P","O"],"chemical_system":"Co-Cr-Ni-O-P","density":3.5177636996481225,"density_atomic":0.08391422960990502,"volume":429.0094798862415,"volume_molar":7.176542986803709,"formula_full":"Cr2 Co1 Ni3 P6 O24","formula_reduced":"Cr2CoNi3(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-271.36132938,"energy_per_atom":-7.537814704999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-241.61432938,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.7729291,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.834000Z","spacegroup":146},{"id":"mp-1182153","created_at":"2022-09-04T14:43:53.542306Z","structure_string":"Cr2 Cl6 O12\n1.0\n8.189131 4.525634 0.000000\n-8.189131 4.525634 0.000000\n0.000000 3.980591 7.204088\nCr Cl O\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.686565 0.487417 0.291414 Cl\n0.191417 0.808583 0.750000 Cl\n0.512583 0.313435 0.208586 Cl\n0.313435 0.512583 0.708586 Cl\n0.808583 0.191417 0.250000 Cl\n0.487417 0.686565 0.791414 Cl\n0.100765 0.239708 0.281838 O\n0.084196 0.218918 0.561360 O\n0.340892 0.147103 0.880797 O\n0.899235 0.760292 0.718162 O\n0.915804 0.781082 0.438640 O\n0.659108 0.852897 0.119203 O\n0.218918 0.084196 0.061360 O\n0.147103 0.340892 0.380797 O\n0.239708 0.100765 0.781838 O\n0.781082 0.915804 0.938640 O\n0.852897 0.659108 0.619203 O\n0.760292 0.899235 0.218162 O\n","nsites":20,"nelements":3,"elements":["Cr","Cl","O"],"chemical_system":"Cl-Cr-O","density":1.5819295711181993,"density_atomic":0.03745447757521547,"volume":533.9815502655543,"volume_molar":16.078560294710922,"formula_full":"Cr2 Cl6 O12","formula_reduced":"Cr(ClO2)3","formula_anonymous":"AB3C6","energy":-89.61423158000001,"energy_per_atom":-4.480711579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.61623158,"band_gap":0.1442000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9974846,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.340000Z","spacegroup":15},{"id":"mp-1189452","created_at":"2022-09-04T14:40:57.452862Z","structure_string":"Cr2 Cl6 O12\n1.0\n3.888256 5.990413 0.000000\n-3.888256 5.990413 0.000000\n0.000000 4.719200 8.547852\nCr Cl O\n2 6 12\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.987533 0.012467 0.750000 Cl\n0.012467 0.987533 0.250000 Cl\n0.720899 0.589331 0.737345 Cl\n0.410669 0.279101 0.762655 Cl\n0.279101 0.410669 0.262655 Cl\n0.589331 0.720899 0.237345 Cl\n0.827753 0.431927 0.460372 O\n0.568073 0.172247 0.039628 O\n0.172247 0.568073 0.539628 O\n0.431927 0.827753 0.960372 O\n0.111363 0.203728 0.616236 O\n0.796272 0.888637 0.883764 O\n0.888637 0.796272 0.383764 O\n0.203728 0.111363 0.116236 O\n0.573781 0.206570 0.616778 O\n0.793430 0.426219 0.883222 O\n0.426219 0.793430 0.383222 O\n0.206570 0.573781 0.116778 O\n","nsites":20,"nelements":3,"elements":["Cr","Cl","O"],"chemical_system":"Cl-Cr-O","density":2.1213620267504556,"density_atomic":0.05022632354212554,"volume":398.19757030844016,"volume_molar":11.990009093437116,"formula_full":"Cr2 Cl6 O12","formula_reduced":"Cr(ClO2)3","formula_anonymous":"AB3C6","energy":-95.33035532,"energy_per_atom":-4.766517766,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.08835532,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0008048,"is_theoretical":false,"updated_at":"2021-11-28T01:35:19.932000Z","spacegroup":15},{"id":"mp-1181814","created_at":"2022-09-04T14:45:19.692006Z","structure_string":"Cr2 Cl6 O12\n1.0\n3.421066 6.224313 0.000000\n-3.421066 6.224313 0.000000\n0.000000 1.177974 8.213645\nCr Cl O\n2 6 12\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.084787 0.915213 0.750000 Cl\n0.915213 0.084787 0.250000 Cl\n0.312046 0.287393 0.677714 Cl\n0.712607 0.687954 0.822286 Cl\n0.687954 0.712607 0.322286 Cl\n0.287393 0.312046 0.177714 Cl\n0.134335 0.629241 0.416947 O\n0.370759 0.865665 0.083053 O\n0.865665 0.370759 0.583053 O\n0.629241 0.134335 0.916947 O\n0.836137 0.747215 0.658409 O\n0.252785 0.163863 0.841591 O\n0.163863 0.252785 0.341591 O\n0.747215 0.836137 0.158409 O\n0.238628 0.846889 0.605241 O\n0.153111 0.761372 0.894759 O\n0.761372 0.153111 0.394759 O\n0.846889 0.238628 0.105241 O\n","nsites":20,"nelements":3,"elements":["Cr","Cl","O"],"chemical_system":"Cl-Cr-O","density":2.4148746675676604,"density_atomic":0.057175661125947005,"volume":349.7991908820055,"volume_molar":10.53269982612773,"formula_full":"Cr2 Cl6 O12","formula_reduced":"Cr(ClO2)3","formula_anonymous":"AB3C6","energy":-99.88766277,"energy_per_atom":-4.9943831385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.64566277,"band_gap":0.0599,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0003525,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.251000Z","spacegroup":15},{"id":"mp-567504","created_at":"2022-09-04T14:40:38.532337Z","structure_string":"Cr2 Cl6\n1.0\n6.971291 -3.022926 0.000000\n6.971291 3.022926 0.000000\n5.660475 0.000000 5.069123\nCr Cl\n2 6\ndirect\n0.666683 0.666683 0.666683 Cr\n0.333317 0.333317 0.333317 Cr\n0.934239 0.577351 0.291077 Cl\n0.422649 0.708923 0.065761 Cl\n0.577351 0.291077 0.934239 Cl\n0.708923 0.065761 0.422649 Cl\n0.065761 0.422649 0.708923 Cl\n0.291077 0.934239 0.577351 Cl\n","nsites":8,"nelements":2,"elements":["Cr","Cl"],"chemical_system":"Cl-Cr","density":2.4615439556714476,"density_atomic":0.03744436192608494,"volume":213.6503224648874,"volume_molar":16.082903941286776,"formula_full":"Cr2 Cl6","formula_reduced":"CrCl3","formula_anonymous":"AB3","energy":-43.15083085,"energy_per_atom":-5.39385385625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.46683085,"band_gap":1.5182,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.840000Z","spacegroup":148},{"id":"mp-27630","created_at":"2022-09-04T14:44:57.335431Z","structure_string":"Cr2 Cl6\n1.0\n5.247974 3.030453 0.000000\n-5.247974 3.030453 0.000000\n0.000000 1.965900 6.280250\nCr Cl\n2 6\ndirect\n0.166681 0.833319 0.000000 Cr\n0.833319 0.166681 0.000000 Cr\n0.568850 0.928319 0.787558 Cl\n0.071681 0.431150 0.212442 Cl\n0.209122 0.209122 0.786874 Cl\n0.790878 0.790878 0.213126 Cl\n0.928319 0.568850 0.787558 Cl\n0.431150 0.071681 0.212442 Cl\n","nsites":8,"nelements":2,"elements":["Cr","Cl"],"chemical_system":"Cl-Cr","density":2.6327219393211356,"density_atomic":0.04004827657842678,"volume":199.75890808518443,"volume_molar":15.037203281911033,"formula_full":"Cr2 Cl6","formula_reduced":"CrCl3","formula_anonymous":"AB3","energy":-43.1434298,"energy_per_atom":-5.392928725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.4594298,"band_gap":0.1467999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999234,"is_theoretical":false,"updated_at":"2021-11-28T01:36:47.214000Z","spacegroup":12},{"id":"mp-738014","created_at":"2022-09-04T14:41:07.820790Z","structure_string":"Cr2 Cl4 O8\n1.0\n6.950384 0.000000 0.000000\n0.000000 4.225087 0.000000\n0.000000 1.662955 8.315109\nCr Cl O\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.747543 0.574074 0.569109 Cl\n0.247543 0.425926 0.930891 Cl\n0.252457 0.425926 0.430891 Cl\n0.752457 0.574074 0.069109 Cl\n0.486529 0.034672 0.693060 O\n0.986529 0.965328 0.806940 O\n0.513471 0.965328 0.306940 O\n0.013471 0.034672 0.193060 O\n0.688142 0.328491 0.446169 O\n0.188142 0.671509 0.053831 O\n0.311858 0.671509 0.553831 O\n0.811858 0.328491 0.946169 O\n","nsites":14,"nelements":3,"elements":["Cr","Cl","O"],"chemical_system":"Cl-Cr-O","density":2.5419985310392725,"density_atomic":0.057334447725947965,"volume":244.1813003400396,"volume_molar":10.503529725768246,"formula_full":"Cr2 Cl4 O8","formula_reduced":"Cr(ClO2)2","formula_anonymous":"AB2C4","energy":-73.65010694,"energy_per_atom":-5.260721924285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.15610694,"band_gap":0.8511,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.29e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.113000Z","spacegroup":14},{"id":"mp-1079620","created_at":"2022-09-04T14:43:50.432840Z","structure_string":"Cr2 Cl4 O4\n1.0\n5.413085 0.000000 0.000000\n0.000000 6.983785 0.000000\n0.000000 2.137193 7.436441\nCr Cl O\n2 4 4\ndirect\n0.824162 0.336320 0.275060 Cr\n0.324162 0.663680 0.724940 Cr\n0.944751 0.155121 0.111856 Cl\n0.444751 0.844879 0.888144 Cl\n0.935997 0.222525 0.547532 Cl\n0.435997 0.777475 0.452468 Cl\n0.935354 0.553875 0.198551 O\n0.435354 0.446125 0.801449 O\n0.530826 0.346718 0.268146 O\n0.030826 0.653282 0.731854 O\n","nsites":10,"nelements":3,"elements":["Cr","Cl","O"],"chemical_system":"Cl-Cr-O","density":1.8299203631699068,"density_atomic":0.03557125236331031,"volume":281.1258905889527,"volume_molar":16.929796844070324,"formula_full":"Cr2 Cl4 O4","formula_reduced":"Cr(ClO)2","formula_anonymous":"AB2C2","energy":-59.03340405,"energy_per_atom":-5.903340405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.83140405,"band_gap":2.4182,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.98e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.431000Z","spacegroup":4}]}