{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=12180","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=12178","results":[{"id":"mp-24669","created_at":"2022-09-04T14:42:08.075303Z","structure_string":"Cr2 H2\n1.0\n1.379005 -2.388507 0.000000\n1.379005 2.388507 0.000000\n0.000000 0.000000 4.501096\nCr H\n2 2\ndirect\n0.666667 0.333333 0.500866 Cr\n0.333333 0.666667 0.000866 Cr\n0.666667 0.333333 0.874134 H\n0.333333 0.666667 0.374134 H\n","nsites":4,"nelements":2,"elements":["Cr","H"],"chemical_system":"Cr-H","density":5.936731882174295,"density_atomic":0.1349023020176893,"volume":29.651087788520417,"volume_molar":4.464075608739677,"formula_full":"Cr2 H2","formula_reduced":"CrH","formula_anonymous":"AB","energy":-25.65981715,"energy_per_atom":-6.4149542875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.30181715,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059644,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.710000Z","spacegroup":186},{"id":"mp-1101820","created_at":"2022-09-04T14:39:42.527695Z","structure_string":"Mg1 Ti3 H8\n1.0\n4.460475 0.000000 0.000000\n0.000000 4.460475 0.000000\n0.000000 0.000000 4.460475\nMg Ti H\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.254138 0.254138 0.745862 H\n0.254138 0.745862 0.254138 H\n0.745862 0.254138 0.254138 H\n0.745862 0.745862 0.745862 H\n0.745862 0.745862 0.254138 H\n0.745862 0.254138 0.745862 H\n0.254138 0.745862 0.745862 H\n0.254138 0.254138 0.254138 H\n","nsites":12,"nelements":3,"elements":["Mg","Ti","H"],"chemical_system":"H-Mg-Ti","density":3.292632177910052,"density_atomic":0.13521906148154794,"volume":88.74488454896965,"volume_molar":4.453618220698703,"formula_full":"Mg1 Ti3 H8","formula_reduced":"MgTi3H8","formula_anonymous":"AB3C8","energy":-58.46830912,"energy_per_atom":-4.872359093333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.03630912,"band_gap":0.1596000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001812,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.162000Z","spacegroup":221},{"id":"mp-1105785","created_at":"2022-09-04T14:47:12.552920Z","structure_string":"Li4 H8 N4\n1.0\n3.661257 0.000000 0.000000\n0.000000 3.757186 0.000000\n0.000000 0.067966 8.598198\nLi H N\n4 8 4\ndirect\n0.754616 0.247111 0.493317 Li\n0.254616 0.752889 0.006683 Li\n0.245384 0.752889 0.506683 Li\n0.745384 0.247111 0.993317 Li\n0.394883 0.119210 0.207576 H\n0.894883 0.880790 0.292424 H\n0.605117 0.880790 0.792424 H\n0.105117 0.119210 0.707576 H\n0.570395 0.609414 0.305384 H\n0.070395 0.390586 0.194616 H\n0.429605 0.390586 0.694616 H\n0.929605 0.609414 0.805384 H\n0.756132 0.750029 0.877496 N\n0.256132 0.249971 0.622504 N\n0.243868 0.249971 0.122504 N\n0.743868 0.750029 0.377496 N\n","nsites":16,"nelements":3,"elements":["Li","H","N"],"chemical_system":"H-Li-N","density":1.289580126273624,"density_atomic":0.13527565030194966,"volume":118.27701411367306,"volume_molar":4.4517551729065366,"formula_full":"Li4 H8 N4","formula_reduced":"LiH2N","formula_anonymous":"ABC2","energy":-77.01173832,"energy_per_atom":-4.813233645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.56773832,"band_gap":3.2683,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.835000Z","spacegroup":14},{"id":"mp-1078278","created_at":"2022-09-04T14:39:58.684138Z","structure_string":"Cr2 B8\n1.0\n2.853707 0.000000 0.000000\n0.000000 4.726743 0.000000\n0.000000 0.000000 5.479876\nCr B\n2 8\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.665043 0.866475 B\n0.500000 0.334957 0.133525 B\n0.000000 0.165043 0.633525 B\n0.000000 0.834957 0.366475 B\n0.500000 0.723358 0.178348 B\n0.500000 0.276642 0.821652 B\n0.000000 0.223358 0.321652 B\n0.000000 0.776642 0.678348 B\n","nsites":10,"nelements":2,"elements":["Cr","B"],"chemical_system":"B-Cr","density":4.279143338872887,"density_atomic":0.13528757071766162,"volume":73.91662032922078,"volume_molar":4.4513629212604515,"formula_full":"Cr2 B8","formula_reduced":"CrB4","formula_anonymous":"AB4","energy":-75.83150834,"energy_per_atom":-7.583150834,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.83150834,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.56e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.721000Z","spacegroup":58},{"id":"mp-1346","created_at":"2022-09-04T14:45:40.131870Z","structure_string":"B12 O2\n1.0\n4.391569 -2.696759 0.000000\n4.391569 2.696759 0.000000\n2.735553 0.000000 4.367510\nB O\n12 2\ndirect\n0.323721 0.798829 0.798829 B\n0.798829 0.798829 0.323721 B\n0.798829 0.323721 0.798829 B\n0.201171 0.676279 0.201171 B\n0.676279 0.201171 0.201171 B\n0.201171 0.201171 0.676279 B\n0.666837 0.997697 0.997697 B\n0.997697 0.997697 0.666837 B\n0.997697 0.666837 0.997697 B\n0.002303 0.333163 0.002303 B\n0.333163 0.002303 0.002303 B\n0.002303 0.002303 0.333163 B\n0.377733 0.377733 0.377733 O\n0.622267 0.622267 0.622267 O\n","nsites":14,"nelements":2,"elements":["B","O"],"chemical_system":"B-O","density":2.5960681020138114,"density_atomic":0.13533255603500588,"volume":103.44887002931269,"volume_molar":4.449883262710474,"formula_full":"B12 O2","formula_reduced":"B6O","formula_anonymous":"AB6","energy":-101.32243973,"energy_per_atom":-7.237317123571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.94843973,"band_gap":1.8564,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.89e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:05.687000Z","spacegroup":166},{"id":"mp-14232","created_at":"2022-09-04T14:45:37.089245Z","structure_string":"Li2 B2 O4\n1.0\n-2.116413 2.116413 3.296896\n2.116413 -2.116413 3.296896\n2.116413 2.116413 -3.296896\nLi B O\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.719075 0.625000 0.594075 O\n0.375000 0.969075 0.094075 O\n0.875000 0.280925 0.905925 O\n0.030925 0.125000 0.405925 O\n","nsites":8,"nelements":3,"elements":["Li","B","O"],"chemical_system":"B-Li-O","density":2.797132773471056,"density_atomic":0.13543281548898167,"volume":59.069878826013564,"volume_molar":4.4465890620799655,"formula_full":"Li2 B2 O4","formula_reduced":"LiBO2","formula_anonymous":"ABC2","energy":-58.81197313,"energy_per_atom":-7.35149664125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.06397313,"band_gap":7.1831,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.49e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:04.656000Z","spacegroup":122},{"id":"mp-1104418","created_at":"2022-09-04T14:40:33.920810Z","structure_string":"H12 W2\n1.0\n1.508090 5.814264 0.000000\n-1.508090 5.814264 0.000000\n0.000000 3.931318 5.890148\nH W\n12 2\ndirect\n0.462911 0.462911 0.017090 H\n0.537089 0.537089 0.982910 H\n0.446153 0.446153 0.664788 H\n0.553847 0.553847 0.335212 H\n0.809279 0.809279 0.700556 H\n0.190721 0.190721 0.299444 H\n0.038625 0.038625 0.631514 H\n0.961375 0.961375 0.368486 H\n0.257069 0.257069 0.805864 H\n0.742931 0.742931 0.194136 H\n0.832825 0.832825 0.343835 H\n0.167175 0.167175 0.656165 H\n0.647248 0.647248 0.479399 W\n0.352752 0.352752 0.520601 W\n","nsites":14,"nelements":2,"elements":["H","W"],"chemical_system":"H-W","density":6.1051674434599175,"density_atomic":0.13553448978782082,"volume":103.29474085833793,"volume_molar":4.443253351547387,"formula_full":"H12 W2","formula_reduced":"H6W","formula_anonymous":"AB6","energy":-65.72272495,"energy_per_atom":-4.694480353571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.57472494999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014093,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.301000Z","spacegroup":12},{"id":"mp-27235","created_at":"2022-09-04T14:40:05.139972Z","structure_string":"H40 N16 F8\n1.0\n4.643850 0.000000 0.000000\n0.000000 8.338689 0.000000\n0.000000 0.000000 12.191956\nH N F\n40 16 8\ndirect\n0.765206 0.558204 0.505077 H\n0.265206 0.941796 0.494923 H\n0.234794 0.058204 0.994923 H\n0.734794 0.441796 0.005077 H\n0.794343 0.378555 0.570130 H\n0.294343 0.121445 0.429870 H\n0.205657 0.878555 0.929870 H\n0.705657 0.621445 0.070130 H\n0.225984 0.452139 0.643614 H\n0.725984 0.047861 0.356386 H\n0.774016 0.952139 0.856386 H\n0.274016 0.547861 0.143614 H\n0.231306 0.464228 0.501346 H\n0.731306 0.035772 0.498654 H\n0.768694 0.964228 0.998654 H\n0.901587 0.833486 0.690886 H\n0.268694 0.535772 0.001346 H\n0.697018 0.859415 0.417308 H\n0.802982 0.140585 0.917308 H\n0.302982 0.359415 0.082692 H\n0.539254 0.834097 0.692766 H\n0.039254 0.665903 0.307234 H\n0.460746 0.334097 0.807234 H\n0.960746 0.165903 0.192766 H\n0.593718 0.355955 0.331729 H\n0.093718 0.144045 0.668271 H\n0.406282 0.855955 0.168271 H\n0.906282 0.644045 0.831729 H\n0.969952 0.356202 0.328004 H\n0.469952 0.143798 0.671996 H\n0.030048 0.856202 0.171996 H\n0.530048 0.643798 0.828004 H\n0.767759 0.419652 0.214732 H\n0.267759 0.080348 0.785268 H\n0.232241 0.919652 0.285268 H\n0.732241 0.580348 0.714732 H\n0.598413 0.166514 0.190886 H\n0.098413 0.333486 0.809114 H\n0.401587 0.666514 0.309114 H\n0.197018 0.640585 0.582692 H\n0.835789 0.500072 0.575815 N\n0.335789 0.999928 0.424185 N\n0.164211 0.000072 0.924185 N\n0.664211 0.499928 0.075815 N\n0.147413 0.516069 0.573829 N\n0.647413 0.983931 0.426171 N\n0.852587 0.016069 0.926171 N\n0.352587 0.483931 0.073829 N\n0.722190 0.824206 0.741810 N\n0.222190 0.675794 0.258190 N\n0.277810 0.324206 0.758190 N\n0.777810 0.175794 0.241810 N\n0.721164 0.660209 0.782060 N\n0.221164 0.839791 0.217940 N\n0.278836 0.160209 0.717940 N\n0.778836 0.339791 0.282060 N\n0.225395 0.823400 0.613707 F\n0.725395 0.676600 0.386293 F\n0.774605 0.323400 0.886293 F\n0.274605 0.176600 0.113707 F\n0.218706 0.650804 0.894190 F\n0.718706 0.849196 0.105810 F\n0.781294 0.150804 0.605810 F\n0.281294 0.349196 0.394190 F\n","nsites":64,"nelements":3,"elements":["H","N","F"],"chemical_system":"F-H-N","density":1.4646134360295127,"density_atomic":0.13555970885090632,"volume":472.1166823277086,"volume_molar":4.442426743940103,"formula_full":"H40 N16 F8","formula_reduced":"H5N2F","formula_anonymous":"AB2C5","energy":-330.67982639,"energy_per_atom":-5.16687228734375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-321.20782639,"band_gap":5.4651,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027327,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.817000Z","spacegroup":19},{"id":"mp-1017629","created_at":"2022-09-04T14:47:40.034236Z","structure_string":"Mg1 Ni1 H3\n1.0\n3.328564 0.000000 0.000000\n0.000000 3.328564 0.000000\n0.000000 0.000000 3.328564\nMg Ni H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n","nsites":5,"nelements":3,"elements":["Mg","Ni","H"],"chemical_system":"H-Mg-Ni","density":3.873370213544492,"density_atomic":0.13558113618561082,"volume":36.87828661617787,"volume_molar":4.441724659804945,"formula_full":"Mg1 Ni1 H3","formula_reduced":"MgNiH3","formula_anonymous":"ABC3","energy":-18.85534608,"energy_per_atom":-3.771069216,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.31834608,"band_gap":0.4669999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043916,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.420000Z","spacegroup":221},{"id":"mp-1010","created_at":"2022-09-04T14:44:40.930288Z","structure_string":"Mn1 B4\n1.0\n-1.477112 2.316516 2.686852\n1.477112 -2.316516 2.686852\n1.477112 2.316516 -2.686852\nMn B\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.543589 0.340641 0.202948 B\n0.137693 0.340641 0.797052 B\n0.456411 0.659359 0.797052 B\n0.862307 0.659359 0.202948 B\n","nsites":5,"nelements":2,"elements":["Mn","B"],"chemical_system":"B-Mn","density":4.433316164878017,"density_atomic":0.13596199787703067,"volume":36.774981818979995,"volume_molar":4.429282339206767,"formula_full":"Mn1 B4","formula_reduced":"MnB4","formula_anonymous":"AB4","energy":-37.23965215,"energy_per_atom":-7.4479304299999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.23965215,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5681094,"is_theoretical":false,"updated_at":"2021-11-28T01:36:55.161000Z","spacegroup":71},{"id":"mp-23804","created_at":"2022-09-04T14:41:18.745883Z","structure_string":"Mg2 Fe1 H6\n1.0\n0.000000 3.208856 3.208856\n3.208856 0.000000 3.208856\n3.208856 3.208856 0.000000\nMg Fe H\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Fe\n0.756923 0.756923 0.243077 H\n0.243077 0.756923 0.243077 H\n0.756923 0.243077 0.243077 H\n0.243077 0.243077 0.756923 H\n0.756923 0.243077 0.756923 H\n0.243077 0.756923 0.756923 H\n","nsites":9,"nelements":3,"elements":["Mg","Fe","H"],"chemical_system":"Fe-H-Mg","density":2.7767774317396268,"density_atomic":0.13619520857615278,"volume":66.08161986086097,"volume_molar":4.421697960565738,"formula_full":"Mg2 Fe1 H6","formula_reduced":"Mg2FeH6","formula_anonymous":"AB2C6","energy":-35.67435694,"energy_per_atom":-3.963817437777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.60035694,"band_gap":1.914,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.5e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.713000Z","spacegroup":225},{"id":"mp-977573","created_at":"2022-09-04T14:47:46.706180Z","structure_string":"Hf1 H3\n1.0\n3.084554 0.000000 0.000000\n0.000000 3.084554 0.000000\n0.000000 0.000000 3.084554\nHf H\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n","nsites":4,"nelements":2,"elements":["Hf","H"],"chemical_system":"H-Hf","density":10.270265272118028,"density_atomic":0.13629592090036594,"volume":29.347906918828855,"volume_molar":4.418430661914131,"formula_full":"Hf1 H3","formula_reduced":"HfH3","formula_anonymous":"AB3","energy":-21.55037605,"energy_per_atom":-5.3875940125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.01337605,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002001,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.154000Z","spacegroup":221}]}