{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=38","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=36","results":[{"id":"mp-28901","created_at":"2022-09-04T14:41:47.033892Z","structure_string":"Al1 Fe1 F5\n1.0\n-1.804057 3.158299 3.787133\n1.804057 -3.158299 3.787133\n1.804057 3.158299 -3.787133\nAl Fe F\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.792030 0.500000 0.292030 F\n0.207970 0.500000 0.707970 F\n0.261051 0.261051 0.000000 F\n0.738949 0.738949 0.000000 F\n0.500000 0.000000 0.500000 F\n","nsites":7,"nelements":3,"elements":["Al","Fe","F"],"chemical_system":"Al-F-Fe","density":3.4209925357098374,"density_atomic":0.08110058621099282,"volume":86.31256969941829,"volume_molar":7.425520629817254,"formula_full":"Al1 Fe1 F5","formula_reduced":"AlFeF5","formula_anonymous":"ABC5","energy":-44.95940221,"energy_per_atom":-6.422771744285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.39340221,"band_gap":4.2584,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0002552,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.970000Z","spacegroup":71},{"id":"mp-570182","created_at":"2022-09-04T14:41:47.041633Z","structure_string":"Ca3 Si1 Br2\n1.0\n11.769829 -2.088544 0.000000\n11.769829 2.088544 0.000000\n11.399219 0.000000 3.598430\nCa Si Br\n3 1 2\ndirect\n0.451197 0.451197 0.451197 Ca\n0.573289 0.573289 0.573289 Ca\n0.998790 0.998790 0.998790 Ca\n0.285968 0.285968 0.285968 Si\n0.840967 0.840967 0.840967 Br\n0.728789 0.728789 0.728789 Br\n","nsites":6,"nelements":3,"elements":["Ca","Si","Br"],"chemical_system":"Br-Ca-Si","density":2.8921627016981644,"density_atomic":0.03391520243366889,"volume":176.91181445060684,"volume_molar":17.75646414547594,"formula_full":"Ca3 Si1 Br2","formula_reduced":"Ca3SiBr2","formula_anonymous":"AB2C3","energy":-21.97125888,"energy_per_atom":-3.66187648,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.97425888,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3648463,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.889000Z","spacegroup":160},{"id":"mp-1335777","created_at":"2022-09-04T14:41:47.014009Z","structure_string":"V8 Zn4 O16\n1.0\n2.972772 0.000000 0.000000\n0.000000 9.265544 0.000000\n0.000000 0.000000 10.502696\nV Zn O\n8 4 16\ndirect\n0.250000 0.436970 0.379185 V\n0.750000 0.563030 0.620815 V\n0.250000 0.936970 0.120815 V\n0.750000 0.063030 0.879185 V\n0.250000 0.407722 0.897456 V\n0.750000 0.592278 0.102544 V\n0.250000 0.907722 0.602544 V\n0.750000 0.092278 0.397456 V\n0.250000 0.246982 0.145851 Zn\n0.750000 0.753018 0.854149 Zn\n0.250000 0.746982 0.354149 Zn\n0.750000 0.253018 0.645851 Zn\n0.250000 0.201765 0.822955 O\n0.750000 0.798235 0.177045 O\n0.250000 0.701765 0.677045 O\n0.750000 0.298235 0.322955 O\n0.250000 0.121798 0.537434 O\n0.750000 0.878202 0.462566 O\n0.250000 0.621798 0.962566 O\n0.750000 0.378202 0.037434 O\n0.250000 0.044756 0.282243 O\n0.750000 0.955244 0.717757 O\n0.250000 0.544756 0.217757 O\n0.750000 0.455244 0.782243 O\n0.250000 0.410107 0.570171 O\n0.750000 0.589893 0.429829 O\n0.250000 0.910107 0.929829 O\n0.750000 0.089893 0.070171 O\n","nsites":28,"nelements":3,"elements":["V","Zn","O"],"chemical_system":"O-V-Zn","density":5.3104567265043965,"density_atomic":0.09678871225755506,"volume":289.2899321306385,"volume_molar":6.221945327648399,"formula_full":"V8 Zn4 O16","formula_reduced":"V2ZnO4","formula_anonymous":"AB2C4","energy":-218.37514172,"energy_per_atom":-7.799112204285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.78314172,"band_gap":1.3607000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9997979,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.104000Z","spacegroup":62},{"id":"mp-775327","created_at":"2022-09-04T14:41:47.025550Z","structure_string":"Li8 Mn4 V12 O32\n1.0\n8.502211 0.000000 0.000000\n0.000000 8.502211 0.000000\n0.000000 0.000000 8.502211\nLi Mn V O\n8 4 12 32\ndirect\n0.127360 0.872640 0.372640 Li\n0.251319 0.751319 0.748681 Li\n0.248681 0.248681 0.248681 Li\n0.372640 0.127360 0.872640 Li\n0.627360 0.627360 0.627360 Li\n0.751319 0.748681 0.251319 Li\n0.748681 0.251319 0.751319 Li\n0.872640 0.372640 0.127360 Li\n0.996011 0.503989 0.496011 Mn\n0.503989 0.496011 0.996011 Mn\n0.496011 0.996011 0.503989 Mn\n0.003989 0.003989 0.003989 Mn\n0.126211 0.619475 0.121495 V\n0.119475 0.378505 0.873789 V\n0.121495 0.126211 0.619475 V\n0.378505 0.873789 0.119475 V\n0.380525 0.621495 0.373789 V\n0.373789 0.380525 0.621495 V\n0.626211 0.880525 0.878505 V\n0.619475 0.121495 0.126211 V\n0.621495 0.373789 0.380525 V\n0.878505 0.626211 0.880525 V\n0.880525 0.878505 0.626211 V\n0.873789 0.119475 0.378505 V\n0.103134 0.130786 0.399342 O\n0.100658 0.896866 0.630786 O\n0.115269 0.615269 0.884731 O\n0.130786 0.399342 0.103134 O\n0.121985 0.147292 0.850125 O\n0.135897 0.364103 0.635897 O\n0.149875 0.621985 0.352708 O\n0.147292 0.850125 0.121985 O\n0.352708 0.149875 0.621985 O\n0.350125 0.378015 0.852708 O\n0.364103 0.635897 0.135897 O\n0.378015 0.852708 0.350125 O\n0.369214 0.600658 0.603134 O\n0.384731 0.384731 0.384731 O\n0.399342 0.103134 0.130786 O\n0.396866 0.869214 0.899342 O\n0.603134 0.369214 0.600658 O\n0.600658 0.603134 0.369214 O\n0.615269 0.884731 0.115269 O\n0.630786 0.100658 0.896866 O\n0.621985 0.352708 0.149875 O\n0.635897 0.135897 0.364103 O\n0.649875 0.878015 0.647292 O\n0.647292 0.649875 0.878015 O\n0.852708 0.350125 0.378015 O\n0.850125 0.121985 0.147292 O\n0.864103 0.864103 0.864103 O\n0.878015 0.647292 0.649875 O\n0.869214 0.899342 0.396866 O\n0.884731 0.115269 0.615269 O\n0.899342 0.396866 0.869214 O\n0.896866 0.630786 0.100658 O\n","nsites":56,"nelements":4,"elements":["Li","Mn","V","O"],"chemical_system":"Li-Mn-O-V","density":3.778628949723637,"density_atomic":0.09111552690348375,"volume":614.6043589180942,"volume_molar":6.609346359132722,"formula_full":"Li8 Mn4 V12 O32","formula_reduced":"Li2MnV3O8","formula_anonymous":"AB2C3D8","energy":-455.75578526,"energy_per_atom":-8.138496165357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-406.69978526,"band_gap":1.2289,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0007717,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.407000Z","spacegroup":198},{"id":"mp-652663","created_at":"2022-09-04T14:41:47.027355Z","structure_string":"K4 Pt2 S30\n1.0\n5.041363 7.791087 0.000000\n-5.041363 7.791087 0.000000\n0.000000 0.148422 12.837729\nK Pt S\n4 2 30\ndirect\n0.767966 0.650598 0.142103 K\n0.650598 0.767966 0.642103 K\n0.946613 0.278037 0.395099 K\n0.278037 0.946613 0.895099 K\n0.200672 0.777273 0.249065 Pt\n0.777273 0.200672 0.749065 Pt\n0.559215 0.407778 0.280123 S\n0.407778 0.559215 0.780123 S\n0.593295 0.358751 0.119888 S\n0.358751 0.593295 0.619888 S\n0.345356 0.134203 0.376457 S\n0.134203 0.345356 0.876457 S\n0.347066 0.938763 0.459875 S\n0.938763 0.347066 0.959875 S\n0.152000 0.903994 0.419572 S\n0.903994 0.152000 0.919572 S\n0.478751 0.646653 0.293905 S\n0.646653 0.478751 0.793905 S\n0.359425 0.433063 0.073845 S\n0.433063 0.359425 0.573845 S\n0.257926 0.673038 0.072734 S\n0.673038 0.257926 0.572734 S\n0.213522 0.013805 0.174474 S\n0.013805 0.213522 0.674474 S\n0.406513 0.042128 0.226720 S\n0.042128 0.406513 0.726720 S\n0.145270 0.556100 0.307591 S\n0.556100 0.145270 0.807591 S\n0.794004 0.971680 0.335191 S\n0.971680 0.794004 0.835191 S\n0.012568 0.624695 0.439430 S\n0.624695 0.012568 0.939430 S\n0.922837 0.911056 0.201500 S\n0.911056 0.922837 0.701500 S\n0.779417 0.763772 0.391426 S\n0.763772 0.779417 0.891426 S\n","nsites":36,"nelements":3,"elements":["K","Pt","S"],"chemical_system":"K-Pt-S","density":2.483896030866817,"density_atomic":0.035697539090539375,"volume":1008.4728784439033,"volume_molar":16.869904518420984,"formula_full":"K4 Pt2 S30","formula_reduced":"K2PtS15","formula_anonymous":"AB2C15","energy":-165.50175357,"energy_per_atom":-4.5972709325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.41175357,"band_gap":1.6801,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025358,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.154000Z","spacegroup":9},{"id":"mp-1330301","created_at":"2022-09-04T14:41:47.029875Z","structure_string":"Li9 Mn7 O16\n1.0\n5.757898 0.000000 0.000000\n2.879191 5.345700 0.000000\n1.439468 1.547082 9.680003\nLi Mn O\n9 7 16\ndirect\n0.257246 0.134344 0.239540 Li\n0.254758 0.372244 0.749801 Li\n0.257388 0.627675 0.250223 Li\n0.745242 0.627756 0.250199 Li\n0.742754 0.865656 0.760460 Li\n0.749114 0.119514 0.242854 Li\n0.250886 0.880486 0.757146 Li\n0.742612 0.372325 0.749777 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000191 0.249852 0.498119 Mn\n0.999809 0.750148 0.501881 Mn\n0.499376 0.750690 0.502970 Mn\n0.500000 0.000000 0.000000 Mn\n0.500624 0.249310 0.497030 Mn\n0.140400 0.839808 0.117964 O\n0.141343 0.089445 0.615819 O\n0.105985 0.286157 0.103331 O\n0.628550 0.286186 0.103330 O\n0.637795 0.586181 0.621705 O\n0.637096 0.831086 0.113829 O\n0.137195 0.584997 0.620552 O\n0.639981 0.089175 0.616135 O\n0.362205 0.413819 0.378295 O\n0.371450 0.713814 0.896670 O\n0.360019 0.910825 0.383865 O\n0.858657 0.910555 0.384181 O\n0.859600 0.160192 0.882036 O\n0.862805 0.415003 0.379448 O\n0.362904 0.168914 0.886171 O\n0.894015 0.713843 0.896669 O\n","nsites":32,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":3.918106770718099,"density_atomic":0.1074004093594329,"volume":297.950447217634,"volume_molar":5.60718603952982,"formula_full":"Li9 Mn7 O16","formula_reduced":"Li9Mn7O16","formula_anonymous":"A7B9C16","energy":-152.35678544,"energy_per_atom":-4.761149545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.68878544,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.1179416,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.479000Z","spacegroup":2},{"id":"mp-31324","created_at":"2022-09-04T14:41:47.030728Z","structure_string":"Li4 In2\n1.0\n2.356656 -5.015766 0.000000\n2.356656 5.015766 0.000000\n0.000000 0.000000 4.734280\nLi In\n4 2\ndirect\n0.242471 0.757529 0.250000 Li\n0.757529 0.242471 0.750000 Li\n0.589359 0.410641 0.250000 Li\n0.410641 0.589359 0.750000 Li\n0.910775 0.089225 0.250000 In\n0.089225 0.910775 0.750000 In\n","nsites":6,"nelements":2,"elements":["Li","In"],"chemical_system":"In-Li","density":3.818917214130725,"density_atomic":0.05360852452734249,"volume":111.9224983881017,"volume_molar":11.23355065840036,"formula_full":"Li4 In2","formula_reduced":"Li2In","formula_anonymous":"AB2","energy":-14.85473284,"energy_per_atom":-2.475788806666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.85473284,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019366,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.635000Z","spacegroup":63},{"id":"mp-1195878","created_at":"2022-09-04T14:41:47.033615Z","structure_string":"Nd2 Mg40 Ni4\n1.0\n0.000000 7.923064 7.923064\n7.923064 0.000000 7.923064\n7.923064 7.923064 0.000000\nNd Mg Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Nd\n0.413405 0.679040 0.953778 Mg\n0.679040 0.413405 0.953778 Mg\n0.570960 0.836595 0.296222 Mg\n0.836595 0.570960 0.296222 Mg\n0.953778 0.953778 0.679040 Mg\n0.953778 0.953778 0.413405 Mg\n0.296222 0.296222 0.836595 Mg\n0.296222 0.296222 0.570960 Mg\n0.625000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.132141 0.132141 0.867859 Mg\n0.117859 0.117859 0.382141 Mg\n0.867859 0.867859 0.132141 Mg\n0.382141 0.382141 0.117859 Mg\n0.953778 0.679040 0.953778 Mg\n0.679040 0.953778 0.413405 Mg\n0.570960 0.296222 0.836595 Mg\n0.296222 0.570960 0.296222 Mg\n0.953778 0.679040 0.413405 Mg\n0.679040 0.953778 0.953778 Mg\n0.570960 0.296222 0.296222 Mg\n0.296222 0.570960 0.836595 Mg\n0.413405 0.953778 0.679040 Mg\n0.953778 0.413405 0.953778 Mg\n0.296222 0.836595 0.296222 Mg\n0.836595 0.296222 0.570960 Mg\n0.413405 0.953778 0.953778 Mg\n0.953778 0.413405 0.679040 Mg\n0.296222 0.836595 0.570960 Mg\n0.836595 0.296222 0.296222 Mg\n0.132141 0.867859 0.132141 Mg\n0.867859 0.132141 0.867859 Mg\n0.382141 0.117859 0.382141 Mg\n0.117859 0.382141 0.117859 Mg\n0.132141 0.867859 0.867859 Mg\n0.867859 0.132141 0.132141 Mg\n0.382141 0.117859 0.117859 Mg\n0.117859 0.382141 0.382141 Mg\n0.125000 0.125000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n","nsites":46,"nelements":3,"elements":["Nd","Mg","Ni"],"chemical_system":"Mg-Nd-Ni","density":2.4963973557645396,"density_atomic":0.04624324946605331,"volume":994.7397843174522,"volume_molar":13.022745653764646,"formula_full":"Nd2 Mg40 Ni4","formula_reduced":"Nd(Mg10Ni)2","formula_anonymous":"AB2C20","energy":-99.86809904,"energy_per_atom":-2.171045631304348,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.86809904,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0842157,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.947000Z","spacegroup":227},{"id":"mp-1196426","created_at":"2022-09-04T14:41:47.048901Z","structure_string":"Yb22 Al2 Sb18\n1.0\n-5.901263 6.214069 8.415371\n5.901263 -6.214069 8.415371\n5.901263 6.214069 -8.415371\nYb Al Sb\n22 2 18\ndirect\n0.043806 0.288375 0.124999 Yb\n0.163376 0.918808 0.875001 Yb\n0.543806 0.418808 0.755432 Yb\n0.663376 0.788375 0.244568 Yb\n0.400407 0.530515 0.236387 Yb\n0.294128 0.164020 0.763613 Yb\n0.900407 0.664020 0.869892 Yb\n0.794128 0.030515 0.130108 Yb\n0.802569 0.638204 0.489509 Yb\n0.148695 0.313059 0.510491 Yb\n0.302569 0.813059 0.164364 Yb\n0.648695 0.138204 0.835636 Yb\n0.861651 0.545148 0.137161 Yb\n0.407987 0.724490 0.862839 Yb\n0.361651 0.224490 0.316503 Yb\n0.907987 0.045148 0.683497 Yb\n0.539019 0.245419 0.153871 Yb\n0.091547 0.385148 0.846129 Yb\n0.039019 0.885148 0.293600 Yb\n0.591547 0.745419 0.706400 Yb\n0.297920 0.797920 0.500000 Yb\n0.797920 0.297920 0.500000 Yb\n0.580398 0.080398 0.500000 Al\n0.080398 0.580398 0.500000 Al\n0.223250 0.223250 0.000000 Sb\n0.723250 0.723250 0.000000 Sb\n0.586969 0.843516 0.486175 Sb\n0.357340 0.100794 0.513825 Sb\n0.086969 0.600794 0.743454 Sb\n0.857340 0.343516 0.256546 Sb\n0.587504 0.441902 0.074342 Sb\n0.367561 0.513162 0.925658 Sb\n0.087504 0.013162 0.145601 Sb\n0.867561 0.941902 0.854399 Sb\n0.027281 0.809918 0.509492 Sb\n0.300426 0.517790 0.490508 Sb\n0.527281 0.017790 0.217364 Sb\n0.800426 0.309918 0.782636 Sb\n0.470349 0.971608 0.856281 Sb\n0.115327 0.614068 0.143719 Sb\n0.970349 0.114068 0.498741 Sb\n0.615327 0.471608 0.501259 Sb\n","nsites":42,"nelements":3,"elements":["Yb","Al","Sb"],"chemical_system":"Al-Sb-Yb","density":8.142002880099476,"density_atomic":0.034024753739234144,"volume":1234.3954146410044,"volume_molar":17.699292715396894,"formula_full":"Yb22 Al2 Sb18","formula_reduced":"Yb11AlSb9","formula_anonymous":"AB9C11","energy":-160.09122071,"energy_per_atom":-3.811695731190476,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.63522071,"band_gap":0.7045000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018032,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.998000Z","spacegroup":45},{"id":"mp-540591","created_at":"2022-09-04T14:41:47.055720Z","structure_string":"Na8 Fe4 H16 C20 N24 O12\n1.0\n6.173650 0.000000 0.000000\n0.000000 11.947176 0.000000\n0.000000 0.000000 15.633413\nNa Fe H C N O\n8 4 16 20 24 12\ndirect\n0.500000 0.500000 0.621232 Na\n0.500000 0.500000 0.378768 Na\n0.000000 0.500000 0.754366 Na\n0.000000 0.000000 0.878768 Na\n0.000000 0.000000 0.121232 Na\n0.500000 0.000000 0.745634 Na\n0.000000 0.500000 0.245634 Na\n0.500000 0.000000 0.254366 Na\n0.999520 0.780454 0.500000 Fe\n0.000480 0.219546 0.500000 Fe\n0.500480 0.280454 0.000000 Fe\n0.499520 0.719546 0.000000 Fe\n0.055256 0.122060 0.726112 H\n0.314398 0.699646 0.288411 H\n0.944744 0.877940 0.726112 H\n0.555256 0.377940 0.226112 H\n0.814398 0.800354 0.211589 H\n0.314398 0.699646 0.711589 H\n0.685602 0.300354 0.711589 H\n0.185602 0.199646 0.788411 H\n0.814398 0.800354 0.788411 H\n0.685602 0.300354 0.288411 H\n0.444744 0.622060 0.773888 H\n0.055256 0.122060 0.273888 H\n0.555256 0.377940 0.773888 H\n0.444744 0.622060 0.226112 H\n0.185602 0.199646 0.211589 H\n0.944744 0.877940 0.273888 H\n0.346016 0.359858 0.911697 C\n0.153984 0.859858 0.588303 C\n0.653984 0.640142 0.088303 C\n0.346016 0.359858 0.088303 C\n0.604442 0.180355 0.087070 C\n0.104442 0.319645 0.412930 C\n0.846016 0.140142 0.588303 C\n0.653984 0.640142 0.911697 C\n0.895558 0.680355 0.587070 C\n0.604442 0.180355 0.912930 C\n0.846016 0.140142 0.411697 C\n0.246713 0.683831 0.500000 C\n0.746713 0.816169 0.000000 C\n0.753287 0.316169 0.500000 C\n0.395558 0.819645 0.087070 C\n0.104442 0.319645 0.587070 C\n0.395558 0.819645 0.912930 C\n0.895558 0.680355 0.412930 C\n0.253287 0.183831 0.000000 C\n0.153984 0.859858 0.411697 C\n0.275076 0.642566 0.000000 N\n0.666444 0.120313 0.858686 N\n0.251726 0.404278 0.855746 N\n0.833556 0.620313 0.358686 N\n0.775076 0.857434 0.500000 N\n0.751726 0.095722 0.355746 N\n0.748274 0.595722 0.855746 N\n0.102319 0.124334 0.000000 N\n0.602319 0.375666 0.500000 N\n0.333556 0.879687 0.141314 N\n0.251726 0.404278 0.144254 N\n0.833556 0.620313 0.641314 N\n0.248274 0.904278 0.644254 N\n0.224924 0.142566 0.500000 N\n0.166444 0.379687 0.641314 N\n0.751726 0.095722 0.644254 N\n0.166444 0.379687 0.358686 N\n0.748274 0.595722 0.144254 N\n0.248274 0.904278 0.355746 N\n0.897681 0.875666 0.000000 N\n0.666444 0.120313 0.141314 N\n0.724924 0.357434 0.000000 N\n0.397681 0.624334 0.500000 N\n0.333556 0.879687 0.858686 N\n0.328625 0.622039 0.269085 O\n0.171375 0.122039 0.230915 O\n0.828625 0.877961 0.769085 O\n0.328625 0.622039 0.730915 O\n0.613611 0.904997 0.500000 O\n0.171375 0.122039 0.769085 O\n0.828625 0.877961 0.230915 O\n0.671375 0.377961 0.269085 O\n0.113611 0.595003 0.000000 O\n0.671375 0.377961 0.730915 O\n0.386389 0.095003 0.500000 O\n0.886389 0.404997 0.000000 O\n","nsites":84,"nelements":6,"elements":["Na","Fe","H","C","N","O"],"chemical_system":"C-Fe-H-N-Na-O","density":1.7162825444215994,"density_atomic":0.0728480982664821,"volume":1153.0843220192746,"volume_molar":8.266709637320524,"formula_full":"Na8 Fe4 H16 C20 N24 O12","formula_reduced":"Na2FeH4C5(N2O)3","formula_anonymous":"AB2C3D4E5F6","energy":-571.87710824,"energy_per_atom":-6.808060812380952,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-545.94510824,"band_gap":2.4428,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002389,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.488000Z","spacegroup":58},{"id":"mp-1001827","created_at":"2022-09-04T14:41:47.087843Z","structure_string":"Ir1 C1\n1.0\n1.525126 -2.641596 0.000000\n1.525126 2.641596 0.000000\n0.000000 0.000000 2.673382\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 C\n","nsites":2,"nelements":2,"elements":["Ir","C"],"chemical_system":"C-Ir","density":15.743475237164242,"density_atomic":0.09284678225582677,"volume":21.540864975689413,"volume_molar":6.486106048787781,"formula_full":"Ir1 C1","formula_reduced":"IrC","formula_anonymous":"AB","energy":-15.62565319,"energy_per_atom":-7.812826595,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.62565319,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000322,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.056000Z","spacegroup":187},{"id":"mp-1222179","created_at":"2022-09-04T14:41:45.666879Z","structure_string":"Mg3 Zn3 As4\n1.0\n2.127094 7.502541 0.000000\n-2.127094 7.502541 0.000000\n0.000000 3.385865 6.413894\nMg Zn As\n3 3 4\ndirect\n0.682921 0.682921 0.981799 Mg\n0.180709 0.180709 0.491427 Mg\n0.330986 0.330986 0.004759 Mg\n0.809639 0.809639 0.520734 Zn\n0.010234 0.010234 0.995591 Zn\n0.499390 0.499390 0.499205 Zn\n0.386014 0.386014 0.303904 As\n0.889193 0.889193 0.762339 As\n0.603760 0.603760 0.726629 As\n0.116026 0.116026 0.213614 As\n","nsites":10,"nelements":3,"elements":["Mg","Zn","As"],"chemical_system":"As-Mg-Zn","density":4.614063158181597,"density_atomic":0.04884871751076802,"volume":204.7136651601066,"volume_molar":12.3281450708967,"formula_full":"Mg3 Zn3 As4","formula_reduced":"Mg3Zn3As4","formula_anonymous":"A3B3C4","energy":-29.62170422,"energy_per_atom":-2.9621704220000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.62170422,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.67e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.916000Z","spacegroup":8}]}