{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=31","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=29","results":[{"id":"mp-1055940","created_at":"2022-09-04T14:44:55.418470Z","structure_string":"Cs1\n1.0\n0.000000 3.859632 3.859632\n3.859632 0.000000 3.859632\n3.859632 3.859632 0.000000\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n","nsites":1,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9192175348177187,"density_atomic":0.008696255858956703,"volume":114.99201681952017,"volume_molar":69.2498111563438,"formula_full":"Cs1","formula_reduced":"Cs","formula_anonymous":"A","energy":-0.85403088,"energy_per_atom":-0.85403088,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.85403088,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005489,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.659000Z","spacegroup":225},{"id":"mp-1055994","created_at":"2022-09-04T14:40:27.916559Z","structure_string":"In1\n1.0\n-1.654892 1.654892 2.508362\n1.654892 -1.654892 2.508362\n1.654892 1.654892 -2.508362\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n","nsites":1,"nelements":1,"elements":["In"],"chemical_system":"In","density":6.938563351301882,"density_atomic":0.03639238202037771,"volume":27.478278268239098,"volume_molar":16.547805957378486,"formula_full":"In1","formula_reduced":"In","formula_anonymous":"A","energy":-2.72188849,"energy_per_atom":-2.72188849,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.72188849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.47e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.508000Z","spacegroup":139},{"id":"mp-640416","created_at":"2022-09-04T14:42:43.700715Z","structure_string":"Rb8\n1.0\n9.369484 0.000000 0.000000\n-0.337446 9.441180 0.000000\n-4.231228 -4.217970 8.556800\nRb\n8\ndirect\n0.212811 0.615707 0.771238 Rb\n0.175624 0.017892 0.210735 Rb\n0.392237 0.100566 0.722560 Rb\n0.700065 0.224497 0.250802 Rb\n0.717570 0.730962 0.274134 Rb\n0.212472 0.547255 0.279284 Rb\n0.913153 0.153820 0.767250 Rb\n0.699346 0.630266 0.748735 Rb\n","nsites":8,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.499989699184075,"density_atomic":0.010569067075738724,"volume":756.9258424297436,"volume_molar":56.978924599918706,"formula_full":"Rb8","formula_reduced":"Rb","formula_anonymous":"A","energy":-7.39045015,"energy_per_atom":-0.92380626875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.39045015,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0140471,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.872000Z","spacegroup":1},{"id":"mp-1096869","created_at":"2022-09-04T14:40:52.309124Z","structure_string":"C71\n1.0\n7.424126 12.776585 0.000000\n-7.424126 12.776585 0.000000\n0.000000 0.001516 7.496735\nC\n71\ndirect\n0.056211 0.221304 0.494214 C\n0.222177 0.722579 0.495959 C\n0.721894 0.054660 0.496307 C\n0.221304 0.056211 0.494214 C\n0.722579 0.222177 0.495959 C\n0.054660 0.721894 0.496307 C\n0.000175 0.166014 0.491746 C\n0.165977 0.833476 0.493007 C\n0.832880 0.998966 0.493670 C\n0.166014 0.000175 0.491746 C\n0.833476 0.165977 0.493007 C\n0.998966 0.832880 0.493670 C\n0.500304 0.166967 0.494877 C\n0.167171 0.333420 0.494244 C\n0.334316 0.500787 0.494709 C\n0.166967 0.500304 0.494877 C\n0.333420 0.167171 0.494244 C\n0.500787 0.334316 0.494709 C\n0.056665 0.387981 0.500326 C\n0.389792 0.556625 0.500524 C\n0.555470 0.056137 0.500569 C\n0.387981 0.056665 0.500326 C\n0.556625 0.389792 0.500524 C\n0.056137 0.555470 0.500569 C\n0.001844 0.331747 0.501049 C\n0.333616 0.667519 0.501627 C\n0.666123 0.998800 0.501753 C\n0.331747 0.001844 0.501049 C\n0.667519 0.333616 0.501627 C\n0.998800 0.666123 0.501753 C\n0.891473 0.385980 0.508090 C\n0.388983 0.723780 0.507939 C\n0.721288 0.886614 0.507092 C\n0.385980 0.891473 0.508090 C\n0.723780 0.388983 0.507939 C\n0.886614 0.721288 0.507092 C\n0.836836 0.496854 0.515475 C\n0.501823 0.668902 0.515262 C\n0.664782 0.829818 0.513089 C\n0.496854 0.836836 0.515475 C\n0.668902 0.501823 0.515262 C\n0.829818 0.664782 0.513089 C\n0.889327 0.221223 0.495593 C\n0.221223 0.889327 0.495593 C\n0.887992 0.887992 0.496566 C\n0.834539 0.332201 0.504605 C\n0.332201 0.834539 0.504605 C\n0.831926 0.831926 0.504075 C\n0.729906 0.549782 0.519941 C\n0.549782 0.729906 0.519941 C\n0.719523 0.719523 0.515839 C\n0.666724 0.166342 0.494826 C\n0.166778 0.166778 0.492662 C\n0.166342 0.666724 0.494826 C\n0.556072 0.222699 0.494123 C\n0.222393 0.222393 0.492879 C\n0.222699 0.556072 0.494123 C\n0.389187 0.222811 0.492605 C\n0.222811 0.389187 0.492605 C\n0.389708 0.389708 0.492621 C\n0.333897 0.333897 0.490980 C\n0.000550 0.499492 0.505049 C\n0.501701 0.501701 0.505118 C\n0.499492 0.000550 0.505049 C\n0.891353 0.553430 0.512557 C\n0.557031 0.557031 0.513344 C\n0.553430 0.891353 0.512557 C\n0.054797 0.888548 0.489823 C\n0.888548 0.054797 0.489823 C\n0.055177 0.055177 0.488396 C\n0.999453 0.999453 0.487902 C\n","nsites":71,"nelements":1,"elements":["C"],"chemical_system":"C","density":0.9956655665045799,"density_atomic":0.04992247074231997,"volume":1422.2052503465602,"volume_molar":12.062986207321162,"formula_full":"C71","formula_reduced":"C","formula_anonymous":"A","energy":-646.86646431,"energy_per_atom":-9.110795271971831,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-646.86646431,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.889947,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.508000Z","spacegroup":8},{"id":"mp-28","created_at":"2022-09-04T14:46:40.447969Z","structure_string":"Ce1\n1.0\n0.000000 2.360218 2.360218\n2.360218 0.000000 2.360218\n2.360218 2.360218 0.000000\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n","nsites":1,"nelements":1,"elements":["Ce"],"chemical_system":"Ce","density":8.848109284372958,"density_atomic":0.038028890054505424,"volume":26.295797709760564,"volume_molar":15.835699520466374,"formula_full":"Ce1","formula_reduced":"Ce","formula_anonymous":"A","energy":-5.93152909,"energy_per_atom":-5.93152909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.93152909,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0453721,"is_theoretical":false,"updated_at":"2021-11-28T01:37:42.837000Z","spacegroup":225},{"id":"mp-1061054","created_at":"2022-09-04T14:41:20.919552Z","structure_string":"Ge2\n1.0\n-1.436947 2.495898 2.650863\n1.436947 -2.495898 2.650863\n1.436947 2.495898 -2.650863\nGe\n2\ndirect\n0.250000 0.185943 0.935943 Ge\n0.750000 0.814057 0.064057 Ge\n","nsites":2,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":6.343662522757254,"density_atomic":0.0525914491453508,"volume":38.02899582539464,"volume_molar":11.450798291098943,"formula_full":"Ge2","formula_reduced":"Ge","formula_anonymous":"A","energy":-8.77409769,"energy_per_atom":-4.387048845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.77409769,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.27e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.002000Z","spacegroup":74},{"id":"mp-66","created_at":"2022-09-04T14:40:21.558049Z","structure_string":"C2\n1.0\n0.000000 1.786855 1.786855\n1.786855 0.000000 1.786855\n1.786855 1.786855 0.000000\nC\n2\ndirect\n0.250000 0.250000 0.250000 C\n0.000000 0.000000 0.000000 C\n","nsites":2,"nelements":1,"elements":["C"],"chemical_system":"C","density":3.4958233725910053,"density_atomic":0.175279879017178,"volume":11.410322800393955,"volume_molar":3.4357285010504888,"formula_full":"C2","formula_reduced":"C","formula_anonymous":"A","energy":-18.18073633,"energy_per_atom":-9.090368165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.18073633,"band_gap":4.1145,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005442,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.938000Z","spacegroup":227},{"id":"mp-672234","created_at":"2022-09-04T14:43:59.913119Z","structure_string":"N4\n1.0\n5.577698 0.000000 0.000000\n0.000000 5.577698 0.000000\n0.000000 0.000000 5.577698\nN\n4\ndirect\n0.471208 0.971208 0.528792 N\n0.971208 0.528792 0.471208 N\n0.028792 0.028792 0.028792 N\n0.528792 0.471208 0.971208 N\n","nsites":4,"nelements":1,"elements":["N"],"chemical_system":"N","density":0.5361421203459383,"density_atomic":0.02305127772568755,"volume":173.52617271807617,"volume_molar":26.12497594130816,"formula_full":"N4","formula_reduced":"N","formula_anonymous":"A","energy":-12.49627799,"energy_per_atom":-3.1240694975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.49627799,"band_gap":2.9912,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0000918,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.563000Z","spacegroup":198},{"id":"mp-568348","created_at":"2022-09-04T14:43:05.516216Z","structure_string":"P84\n1.0\n9.260506 0.000000 0.000000\n0.000000 9.290484 0.000000\n0.000000 5.950707 23.366553\nP\n84\ndirect\n0.392435 0.044641 0.419902 P\n0.406288 0.251112 0.449492 P\n0.798587 0.297630 0.821487 P\n0.163196 0.998024 0.053026 P\n0.642474 0.482829 0.036716 P\n0.140312 0.791830 0.418910 P\n0.785103 0.075630 0.117705 P\n0.322549 0.788404 0.831157 P\n0.385897 0.855602 0.173614 P\n0.099939 0.140652 0.174799 P\n0.635538 0.687959 0.068136 P\n0.964657 0.827710 0.618809 P\n0.948287 0.045317 0.321522 P\n0.798587 0.702370 0.678513 P\n0.450749 0.562094 0.332123 P\n0.317364 0.052371 0.203643 P\n0.140312 0.208170 0.081090 P\n0.900061 0.859348 0.825201 P\n0.642474 0.517171 0.463284 P\n0.357526 0.482829 0.536716 P\n0.035343 0.172290 0.381191 P\n0.866829 0.539498 0.429935 P\n0.964657 0.172290 0.881191 P\n0.513296 0.313194 0.104244 P\n0.051713 0.045317 0.821522 P\n0.719600 0.422451 0.882584 P\n0.051713 0.954683 0.678478 P\n0.549251 0.562094 0.832123 P\n0.607565 0.955359 0.580098 P\n0.614103 0.855602 0.673614 P\n0.406288 0.748888 0.050508 P\n0.133171 0.539498 0.929935 P\n0.549251 0.437906 0.667877 P\n0.280400 0.422451 0.382584 P\n0.035343 0.827710 0.118809 P\n0.644763 0.584786 0.162581 P\n0.355237 0.415214 0.837419 P\n0.866829 0.460502 0.070065 P\n0.133171 0.460502 0.570065 P\n0.820704 0.590591 0.336043 P\n0.607565 0.044641 0.919902 P\n0.163196 0.001976 0.446974 P\n0.682636 0.947629 0.796357 P\n0.179296 0.590591 0.836043 P\n0.836804 0.998024 0.553026 P\n0.355237 0.584786 0.662581 P\n0.635538 0.312041 0.431864 P\n0.593712 0.251112 0.949492 P\n0.322549 0.211596 0.668843 P\n0.593712 0.748888 0.550508 P\n0.785103 0.924370 0.382295 P\n0.214897 0.924370 0.882295 P\n0.201413 0.297630 0.321487 P\n0.677451 0.211596 0.168843 P\n0.357526 0.517171 0.963284 P\n0.317364 0.947629 0.296357 P\n0.513296 0.686806 0.395756 P\n0.214897 0.075630 0.617705 P\n0.644763 0.415214 0.337419 P\n0.719600 0.577549 0.617416 P\n0.900061 0.140652 0.674799 P\n0.280400 0.577549 0.117416 P\n0.450749 0.437906 0.167877 P\n0.085117 0.755384 0.948705 P\n0.364462 0.687959 0.568136 P\n0.682636 0.052371 0.703643 P\n0.677451 0.788404 0.331157 P\n0.385897 0.144398 0.326386 P\n0.914883 0.755384 0.448705 P\n0.364462 0.312041 0.931864 P\n0.099939 0.859348 0.325201 P\n0.820704 0.409409 0.163957 P\n0.859688 0.208170 0.581090 P\n0.486704 0.313194 0.604244 P\n0.486704 0.686806 0.895756 P\n0.914883 0.244616 0.051295 P\n0.859688 0.791830 0.918910 P\n0.179296 0.409409 0.663957 P\n0.836804 0.001976 0.946974 P\n0.085117 0.244616 0.551295 P\n0.614103 0.144398 0.826386 P\n0.948287 0.954683 0.178478 P\n0.201413 0.702370 0.178513 P\n0.392435 0.955359 0.080098 P\n","nsites":84,"nelements":1,"elements":["P"],"chemical_system":"P","density":2.1490901450835844,"density_atomic":0.0417841506113939,"volume":2010.3316394110088,"volume_molar":14.412500127160309,"formula_full":"P84","formula_reduced":"P","formula_anonymous":"A","energy":-454.32817717,"energy_per_atom":-5.408668775833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-454.32817717,"band_gap":1.8454,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017309,"is_theoretical":false,"updated_at":"2021-11-28T01:35:58.644000Z","spacegroup":13},{"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-1009490","created_at":"2022-09-04T14:45:20.147462Z","structure_string":"O2\n1.0\n2.364873 2.362370 0.000000\n-2.364873 2.362370 0.000000\n0.000000 2.006947 4.167954\nO\n2\ndirect\n0.937265 0.937265 0.147913 O\n0.062735 0.062735 0.852087 O\n","nsites":2,"nelements":1,"elements":["O"],"chemical_system":"O","density":1.1409697618155776,"density_atomic":0.042945863663209745,"volume":46.57025914496468,"volume_molar":14.022632790032727,"formula_full":"O2","formula_reduced":"O","formula_anonymous":"A","energy":-9.89248683,"energy_per_atom":-4.946243415,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.89248683,"band_gap":1.6288,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9990628,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.049000Z","spacegroup":12},{"id":"mp-1186367","created_at":"2022-09-04T14:45:29.343663Z","structure_string":"Pa2\n1.0\n1.586525 -2.747942 0.000000\n1.586525 2.747942 0.000000\n0.000000 0.000000 5.667295\nPa\n2\ndirect\n0.333333 0.666667 0.250000 Pa\n0.666667 0.333333 0.750000 Pa\n","nsites":2,"nelements":1,"elements":["Pa"],"chemical_system":"Pa","density":15.527381632843056,"density_atomic":0.040473400867230634,"volume":49.41517038710982,"volume_molar":14.879255587527952,"formula_full":"Pa2","formula_reduced":"Pa","formula_anonymous":"A","energy":-18.97294543,"energy_per_atom":-9.486472715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.97294543,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009599,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.650000Z","spacegroup":194}]}