{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=58","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=56","results":[{"id":"mp-1200324","created_at":"2022-09-04T14:40:07.096726Z","structure_string":"U32\n1.0\n0.000000 0.000000 -5.043143\n0.000000 -5.821972 0.000000\n-22.776070 0.000000 0.000000\nU\n32\ndirect\n0.000000 0.217404 0.500000 U\n0.000000 0.217404 0.000000 U\n0.000000 0.782596 0.500000 U\n0.000000 0.782596 0.000000 U\n0.987099 0.282227 0.750000 U\n0.012901 0.282227 0.250000 U\n0.012901 0.717773 0.250000 U\n0.987099 0.717773 0.750000 U\n0.494864 0.279846 0.561917 U\n0.505136 0.279846 0.438083 U\n0.494864 0.279846 0.938083 U\n0.505136 0.279846 0.061917 U\n0.505136 0.720154 0.438083 U\n0.494864 0.720154 0.561917 U\n0.505136 0.720154 0.061917 U\n0.494864 0.720154 0.938083 U\n0.991281 0.246463 0.624844 U\n0.008719 0.246463 0.375156 U\n0.991281 0.246463 0.875156 U\n0.008719 0.246463 0.124844 U\n0.008719 0.753537 0.375156 U\n0.991281 0.753537 0.624844 U\n0.008719 0.753537 0.124844 U\n0.991281 0.753537 0.875156 U\n0.486917 0.220607 0.688169 U\n0.513083 0.220607 0.311831 U\n0.486917 0.220607 0.811831 U\n0.513083 0.220607 0.188169 U\n0.513083 0.779393 0.311831 U\n0.486917 0.779393 0.688169 U\n0.513083 0.779393 0.188169 U\n0.486917 0.779393 0.811831 U\n","nsites":32,"nelements":1,"elements":["U"],"chemical_system":"U","density":18.913791596815603,"density_atomic":0.04785196694833861,"volume":668.7290416828105,"volume_molar":12.584938810355599,"formula_full":"U32","formula_reduced":"U","formula_anonymous":"A","energy":-349.77910613,"energy_per_atom":-10.9305970665625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-349.77910613,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0826361,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.710000Z","spacegroup":51},{"id":"mp-555915","created_at":"2022-09-04T14:39:07.452658Z","structure_string":"S72\n1.0\n8.261497 0.000000 0.000000\n0.000000 12.498193 0.000000\n0.000000 0.000000 22.766623\nS\n72\ndirect\n0.020789 0.699438 0.766172 S\n0.654858 0.462224 0.757583 S\n0.877310 0.563798 0.605250 S\n0.472174 0.566242 0.732582 S\n0.154858 0.037776 0.242417 S\n0.340293 0.696179 0.260619 S\n0.345142 0.962224 0.742417 S\n0.104685 0.799152 0.106607 S\n0.127473 0.496054 0.156646 S\n0.527826 0.066242 0.767418 S\n0.470982 0.800955 0.434594 S\n0.622690 0.436202 0.105250 S\n0.529018 0.300955 0.065406 S\n0.520789 0.800562 0.233828 S\n0.659707 0.196179 0.239381 S\n0.025450 0.413344 0.087558 S\n0.343256 0.935909 0.597648 S\n0.159894 0.329681 0.905311 S\n0.319553 0.008941 0.942125 S\n0.006912 0.678027 0.911134 S\n0.525450 0.086656 0.912442 S\n0.198860 0.255745 0.559160 S\n0.840106 0.829681 0.594689 S\n0.482297 0.062584 0.567780 S\n0.377310 0.936202 0.394750 S\n0.474550 0.586656 0.587558 S\n0.029018 0.199045 0.934594 S\n0.438603 0.873029 0.673724 S\n0.840293 0.803821 0.739381 S\n0.561397 0.373029 0.826276 S\n0.845142 0.537776 0.257583 S\n0.438135 0.608863 0.329258 S\n0.113952 0.761329 0.843229 S\n0.061865 0.391137 0.829258 S\n0.493088 0.321973 0.411134 S\n0.122690 0.063798 0.894750 S\n0.979211 0.199438 0.733828 S\n0.613952 0.738671 0.156771 S\n0.993088 0.178027 0.588866 S\n0.819553 0.491059 0.057875 S\n0.938603 0.626971 0.326276 S\n0.938135 0.891137 0.670742 S\n0.895315 0.299152 0.393393 S\n0.886048 0.261329 0.656771 S\n0.061397 0.126971 0.173724 S\n0.801140 0.755745 0.940840 S\n0.698860 0.244255 0.440840 S\n0.386048 0.238671 0.343229 S\n0.970982 0.699045 0.565406 S\n0.627473 0.003946 0.843354 S\n0.872527 0.996054 0.343354 S\n0.301140 0.744255 0.059160 S\n0.517703 0.562584 0.932220 S\n0.680447 0.508941 0.557875 S\n0.159707 0.303821 0.760619 S\n0.843256 0.564091 0.402352 S\n0.982297 0.437416 0.432220 S\n0.656744 0.435909 0.902352 S\n0.561865 0.108863 0.170742 S\n0.479211 0.300562 0.266172 S\n0.017703 0.937416 0.067780 S\n0.972174 0.933758 0.267418 S\n0.027826 0.433758 0.232582 S\n0.180447 0.991059 0.442125 S\n0.659894 0.170319 0.094689 S\n0.506912 0.821973 0.088866 S\n0.395315 0.200848 0.606607 S\n0.340106 0.670319 0.405311 S\n0.156744 0.064091 0.097648 S\n0.604685 0.700848 0.893393 S\n0.974550 0.913344 0.412442 S\n0.372527 0.503946 0.656646 S\n","nsites":72,"nelements":1,"elements":["S"],"chemical_system":"S","density":1.630828324773996,"density_atomic":0.030628653455724165,"volume":2350.7399730804677,"volume_molar":19.661787511179426,"formula_full":"S72","formula_reduced":"S","formula_anonymous":"A","energy":-296.34232048,"energy_per_atom":-4.115865562222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.34232048,"band_gap":2.491,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001469,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.305000Z","spacegroup":19},{"id":"mp-1072089","created_at":"2022-09-04T14:44:54.904642Z","structure_string":"Co6\n1.0\n0.000000 3.263992 3.263992\n3.263992 0.000000 3.263992\n3.263992 3.263992 0.000000\nCo\n6\ndirect\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.625000 0.625000 0.125000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.625000 Co\n","nsites":6,"nelements":1,"elements":["Co"],"chemical_system":"Co","density":8.442733521518138,"density_atomic":0.08627282074783674,"volume":69.54681611184537,"volume_molar":6.980345267256146,"formula_full":"Co6","formula_reduced":"Co","formula_anonymous":"A","energy":-41.45394912,"energy_per_atom":-6.90899152,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.45394912,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.1457171,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.129000Z","spacegroup":227},{"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-568363","created_at":"2022-09-04T14:48:14.909600Z","structure_string":"C4\n1.0\n1.233371 -2.138533 0.000000\n1.233371 2.138533 0.000000\n0.000000 0.000000 8.149903\nC\n4\ndirect\n0.583259 0.416741 0.234124 C\n0.416741 0.583259 0.765876 C\n0.916741 0.083259 0.234124 C\n0.083259 0.916741 0.765876 C\n","nsites":4,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.8556039302537173,"density_atomic":0.09303960690599922,"volume":42.992443036021456,"volume_molar":6.472663589480074,"formula_full":"C4","formula_reduced":"C","formula_anonymous":"A","energy":-36.88164632,"energy_per_atom":-9.22041158,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.88164632,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:35.324000Z","spacegroup":67},{"id":"mp-1008634","created_at":"2022-09-04T14:47:45.961774Z","structure_string":"Au2\n1.0\n1.469057 -2.544481 0.000000\n1.469057 2.544481 0.000000\n0.000000 0.000000 4.878834\nAu\n2\ndirect\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n","nsites":2,"nelements":1,"elements":["Au"],"chemical_system":"Au","density":17.93443570644479,"density_atomic":0.05483351660184747,"volume":36.47404222716978,"volume_molar":10.982590818910015,"formula_full":"Au2","formula_reduced":"Au","formula_anonymous":"A","energy":-6.5371618,"energy_per_atom":-3.2685809,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.5371618,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001239,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.485000Z","spacegroup":194},{"id":"mp-1104341","created_at":"2022-09-04T14:45:04.676028Z","structure_string":"Nb7\n1.0\n2.781142 0.000000 0.000000\n0.160935 4.669230 0.000000\n0.759371 1.897759 9.740952\nNb\n7\ndirect\n0.647497 0.217785 0.571249 Nb\n0.352503 0.782215 0.428751 Nb\n0.939237 0.650438 0.713601 Nb\n0.060763 0.349562 0.286399 Nb\n0.223209 0.077630 0.856669 Nb\n0.776791 0.922370 0.143331 Nb\n0.500000 0.500000 0.000000 Nb\n","nsites":7,"nelements":1,"elements":["Nb"],"chemical_system":"Nb","density":8.537345194804299,"density_atomic":0.05533860483810518,"volume":126.49397324848934,"volume_molar":10.882350174201106,"formula_full":"Nb7","formula_reduced":"Nb","formula_anonymous":"A","energy":-70.54664182,"energy_per_atom":-10.07809168857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.54664182,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0433282,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.280000Z","spacegroup":12},{"id":"mp-155","created_at":"2022-09-04T14:40:16.860170Z","structure_string":"Gd2\n1.0\n1.806967 -3.129758 0.000000\n1.806967 3.129758 0.000000\n0.000000 0.000000 5.770074\nGd\n2\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n","nsites":2,"nelements":1,"elements":["Gd"],"chemical_system":"Gd","density":8.001978666054116,"density_atomic":0.03064485971519747,"volume":65.26380014747319,"volume_molar":19.651389551029613,"formula_full":"Gd2","formula_reduced":"Gd","formula_anonymous":"A","energy":-28.15224448,"energy_per_atom":-14.07612224,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.15224448,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.303261,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.854000Z","spacegroup":194},{"id":"mp-166","created_at":"2022-09-04T14:45:15.332479Z","structure_string":"Ca1\n1.0\n-2.245020 2.245020 2.097502\n2.245020 -2.245020 2.097502\n2.245020 2.245020 -2.097502\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n","nsites":1,"nelements":1,"elements":["Ca"],"chemical_system":"Ca","density":1.5738101244536746,"density_atomic":0.023648151360468182,"volume":42.286603496274395,"volume_molar":25.465587851687253,"formula_full":"Ca1","formula_reduced":"Ca","formula_anonymous":"A","energy":-1.98438209,"energy_per_atom":-1.98438209,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.98438209,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002139,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.720000Z","spacegroup":139},{"id":"mp-760482","created_at":"2022-09-04T14:47:29.837692Z","structure_string":"F4\n1.0\n2.091901 -3.540118 0.000000\n2.091901 3.540118 0.000000\n0.000000 0.000000 6.375726\nF\n4\ndirect\n0.087458 0.087458 0.096013 F\n0.412542 0.412542 0.596013 F\n0.587458 0.587458 0.403987 F\n0.912542 0.912542 0.903987 F\n","nsites":4,"nelements":1,"elements":["F"],"chemical_system":"F","density":1.3363114295141898,"density_atomic":0.04235858901295609,"volume":94.43185179696454,"volume_molar":14.217047593719485,"formula_full":"F4","formula_reduced":"F","formula_anonymous":"A","energy":-7.63205315,"energy_per_atom":-1.9080132875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.63205315,"band_gap":3.0949,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022939,"is_theoretical":true,"updated_at":"2021-11-28T01:38:10.662000Z","spacegroup":64},{"id":"mp-145","created_at":"2022-09-04T14:45:33.978925Z","structure_string":"Lu2\n1.0\n1.762419 -3.052599 0.000000\n1.762419 3.052599 0.000000\n0.000000 0.000000 5.470614\nLu\n2\ndirect\n0.333333 0.666667 0.250000 Lu\n0.666667 0.333333 0.750000 Lu\n","nsites":2,"nelements":1,"elements":["Lu"],"chemical_system":"Lu","density":9.871661309770055,"density_atomic":0.03397699792705217,"volume":58.86335232718187,"volume_molar":17.724169665988143,"formula_full":"Lu2","formula_reduced":"Lu","formula_anonymous":"A","energy":-9.04190104,"energy_per_atom":-4.52095052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.04190104,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000939,"is_theoretical":false,"updated_at":"2021-11-28T01:37:08.779000Z","spacegroup":194},{"id":"mp-1228790","created_at":"2022-09-04T14:44:06.344014Z","structure_string":"B105\n1.0\n8.552873 -5.490386 0.000000\n8.552873 5.490386 0.000000\n5.028403 0.000000 8.832392\nB\n105\ndirect\n0.419593 0.635506 0.904146 B\n0.904146 0.419593 0.635506 B\n0.635506 0.904146 0.419593 B\n0.904146 0.635506 0.419593 B\n0.419593 0.904146 0.635506 B\n0.635506 0.419593 0.904146 B\n0.580407 0.364494 0.095854 B\n0.095854 0.580407 0.364494 B\n0.364494 0.095854 0.580407 B\n0.095854 0.364494 0.580407 B\n0.580407 0.095854 0.364494 B\n0.364494 0.580407 0.095854 B\n0.606722 0.606722 0.606722 B\n0.393278 0.393278 0.393278 B\n0.106843 0.106843 0.491041 B\n0.491041 0.106843 0.106843 B\n0.106843 0.491041 0.106843 B\n0.893157 0.893157 0.508959 B\n0.508959 0.893157 0.893157 B\n0.893157 0.508959 0.893157 B\n0.640539 0.823693 0.003977 B\n0.003977 0.640539 0.823693 B\n0.823693 0.003977 0.640539 B\n0.003977 0.823693 0.640539 B\n0.640539 0.003977 0.823693 B\n0.823693 0.640539 0.003977 B\n0.359461 0.176307 0.996023 B\n0.996023 0.359461 0.176307 B\n0.176307 0.996023 0.359461 B\n0.996023 0.176307 0.359461 B\n0.359461 0.996023 0.176307 B\n0.176307 0.359461 0.996023 B\n0.799177 0.799177 0.314611 B\n0.314611 0.799177 0.799177 B\n0.799177 0.314611 0.799177 B\n0.200823 0.200823 0.685389 B\n0.685389 0.200823 0.200823 B\n0.200823 0.685389 0.200823 B\n0.509669 0.509669 0.786014 B\n0.786014 0.509669 0.509669 B\n0.509669 0.786014 0.509669 B\n0.490331 0.490331 0.213986 B\n0.213986 0.490331 0.490331 B\n0.490331 0.213986 0.490331 B\n0.612781 0.612781 0.782886 B\n0.782886 0.612781 0.612781 B\n0.612781 0.782886 0.612781 B\n0.387219 0.387219 0.217114 B\n0.217114 0.387219 0.387219 B\n0.387219 0.217114 0.387219 B\n0.545742 0.887545 0.178598 B\n0.178598 0.545742 0.887545 B\n0.887545 0.178598 0.545742 B\n0.178598 0.887545 0.545742 B\n0.545742 0.178598 0.887545 B\n0.887545 0.545742 0.178598 B\n0.454258 0.112455 0.821402 B\n0.821402 0.454258 0.112455 B\n0.112455 0.821402 0.454258 B\n0.821402 0.112455 0.454258 B\n0.454258 0.821402 0.112455 B\n0.112455 0.454258 0.821402 B\n0.899088 0.899088 0.165266 B\n0.165266 0.899088 0.899088 B\n0.899088 0.165266 0.899088 B\n0.100912 0.100912 0.834734 B\n0.834734 0.100912 0.100912 B\n0.100912 0.834734 0.100912 B\n0.202817 0.202817 0.504761 B\n0.504761 0.202817 0.202817 B\n0.202817 0.504761 0.202817 B\n0.797183 0.797183 0.495239 B\n0.495239 0.797183 0.797183 B\n0.797183 0.495239 0.797183 B\n0.324966 0.621809 0.800483 B\n0.800483 0.324966 0.621809 B\n0.621809 0.800483 0.324966 B\n0.800483 0.621809 0.324966 B\n0.324966 0.800483 0.621809 B\n0.621809 0.324966 0.800483 B\n0.675034 0.378191 0.199517 B\n0.199517 0.675034 0.378191 B\n0.378191 0.199517 0.675034 B\n0.199517 0.378191 0.675034 B\n0.675034 0.199517 0.378191 B\n0.378191 0.675034 0.199517 B\n0.000554 0.000554 0.163028 B\n0.163028 0.000554 0.000554 B\n0.000554 0.163028 0.000554 B\n0.999446 0.999446 0.836972 B\n0.836972 0.999446 0.999446 B\n0.999446 0.836972 0.999446 B\n0.003093 0.003093 0.337307 B\n0.337307 0.003093 0.003093 B\n0.003093 0.337307 0.003093 B\n0.996907 0.996907 0.662693 B\n0.662693 0.996907 0.996907 B\n0.996907 0.662693 0.996907 B\n0.500000 0.500000 0.500000 B\n0.821698 0.821698 0.981767 B\n0.981767 0.821698 0.821698 B\n0.821698 0.981767 0.821698 B\n0.178302 0.178302 0.018233 B\n0.018233 0.178302 0.178302 B\n0.178302 0.018233 0.178302 B\n","nsites":105,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.27238037919789,"density_atomic":0.12658028404884816,"volume":829.5130698196238,"volume_molar":4.757566160679507,"formula_full":"B105","formula_reduced":"B","formula_anonymous":"A","energy":-681.31425509,"energy_per_atom":-6.488707191333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-681.31425509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0305035,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.385000Z","spacegroup":166}]}