{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=10135","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=10133","results":[{"id":"mp-626241","created_at":"2022-09-04T14:41:00.229991Z","structure_string":"Sr2 H32 O20\n1.0\n4.430861 4.460435 0.000000\n-4.430861 4.460435 0.000000\n0.000000 0.356060 11.601781\nSr H O\n2 32 20\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.693287 0.911273 0.792690 H\n0.613795 0.731523 0.889229 H\n0.382470 0.277624 0.891815 H\n0.443431 0.037820 0.883757 H\n0.723657 0.381053 0.889484 H\n0.963030 0.443057 0.887311 H\n0.088681 0.680884 0.792789 H\n0.270105 0.611073 0.889756 H\n0.680884 0.088681 0.292789 H\n0.611073 0.270105 0.389756 H\n0.443057 0.963030 0.387311 H\n0.381053 0.723657 0.389484 H\n0.731523 0.613795 0.389229 H\n0.911273 0.693287 0.292690 H\n0.037820 0.443431 0.383757 H\n0.277624 0.382470 0.391815 H\n0.306713 0.088727 0.207310 H\n0.386205 0.268477 0.110771 H\n0.617530 0.722376 0.108185 H\n0.556569 0.962180 0.116243 H\n0.276343 0.618947 0.110516 H\n0.036970 0.556943 0.112689 H\n0.729895 0.388927 0.110244 H\n0.911319 0.319116 0.207211 H\n0.319116 0.911319 0.707211 H\n0.388927 0.729895 0.610244 H\n0.556943 0.036970 0.612689 H\n0.618947 0.276343 0.610516 H\n0.088727 0.306713 0.707310 H\n0.268477 0.386205 0.610771 H\n0.722376 0.617530 0.608185 H\n0.962180 0.556569 0.616243 H\n0.496295 0.504724 0.934936 O\n0.504724 0.496295 0.434936 O\n0.503705 0.495276 0.065064 O\n0.495276 0.503705 0.565064 O\n0.669119 0.882450 0.875643 O\n0.320524 0.135910 0.870797 O\n0.869932 0.320609 0.872862 O\n0.122681 0.676078 0.874962 O\n0.676078 0.122681 0.374962 O\n0.320609 0.869932 0.372862 O\n0.882450 0.669119 0.375643 O\n0.135910 0.320524 0.370797 O\n0.330881 0.117550 0.124357 O\n0.679476 0.864090 0.129203 O\n0.130068 0.679391 0.127138 O\n0.877319 0.323922 0.125038 O\n0.323922 0.877319 0.625038 O\n0.679391 0.130068 0.627138 O\n0.117550 0.330881 0.624357 O\n0.864090 0.679476 0.629203 O\n","nsites":54,"nelements":3,"elements":["Sr","H","O"],"chemical_system":"H-O-Sr","density":1.9100151303334005,"density_atomic":0.11775348245364332,"volume":458.585163468592,"volume_molar":5.114193342324945,"formula_full":"Sr2 H32 O20","formula_reduced":"Sr(H8O5)2","formula_anonymous":"AB10C16","energy":-284.12802943,"energy_per_atom":-5.26163017462963,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.38802943,"band_gap":3.4424,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027202,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.919000Z","spacegroup":15},{"id":"mp-1219157","created_at":"2022-09-04T14:41:00.248072Z","structure_string":"Sm2 Si3 Ni1\n1.0\n2.030087 -3.516215 0.000000\n2.030087 3.516215 0.000000\n0.000000 0.000000 8.231313\nSm Si Ni\n2 3 1\ndirect\n0.333333 0.666667 0.239329 Sm\n0.333333 0.666667 0.760671 Sm\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Ni\n","nsites":6,"nelements":3,"elements":["Sm","Si","Ni"],"chemical_system":"Ni-Si-Sm","density":6.269311932304262,"density_atomic":0.051057796263931005,"volume":117.51388502912351,"volume_molar":11.79475261499731,"formula_full":"Sm2 Si3 Ni1","formula_reduced":"Sm2Si3Ni","formula_anonymous":"AB2C3","energy":-35.60749887,"energy_per_atom":-5.934583145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.60749887,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0831169,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.778000Z","spacegroup":187},{"id":"mp-1213483","created_at":"2022-09-04T14:41:00.080491Z","structure_string":"Dy3 Ni9 Sn6\n1.0\n0.000000 0.000000 -4.084922\n-4.743073 -8.215243 0.000000\n-4.743073 8.215243 0.000000\nDy Ni Sn\n3 9 6\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.666667 0.333333 Dy\n0.500000 0.333333 0.666667 Dy\n0.000000 0.817068 0.182932 Ni\n0.000000 0.182932 0.817068 Ni\n0.000000 0.365863 0.182932 Ni\n0.000000 0.634137 0.817068 Ni\n0.000000 0.817068 0.634137 Ni\n0.000000 0.182932 0.365863 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.677969 0.677969 Sn\n0.500000 0.322031 0.322031 Sn\n0.500000 0.000000 0.322031 Sn\n0.500000 0.000000 0.677969 Sn\n0.500000 0.322031 0.000000 Sn\n0.500000 0.677969 0.000000 Sn\n","nsites":18,"nelements":3,"elements":["Dy","Ni","Sn"],"chemical_system":"Dy-Ni-Sn","density":9.01361490738788,"density_atomic":0.05654295718732316,"volume":318.3420340108347,"volume_molar":10.650558547988632,"formula_full":"Dy3 Ni9 Sn6","formula_reduced":"DyNi3Sn2","formula_anonymous":"AB2C3","energy":-96.0669035,"energy_per_atom":-5.337050194444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.0669035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0188295,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.514000Z","spacegroup":191},{"id":"mp-1210136","created_at":"2022-09-04T14:41:00.434056Z","structure_string":"Nd4 Tl4 W8 O32\n1.0\n-5.294157 0.000000 0.000000\n0.000000 0.000000 -8.326573\n0.000000 -19.041100 0.000000\nNd Tl W O\n4 4 8 32\ndirect\n0.000000 0.750000 0.993078 Nd\n0.000000 0.250000 0.006922 Nd\n0.500000 0.250000 0.506922 Nd\n0.500000 0.750000 0.493078 Nd\n0.000000 0.750000 0.230456 Tl\n0.000000 0.250000 0.769544 Tl\n0.500000 0.250000 0.269544 Tl\n0.500000 0.750000 0.730456 Tl\n0.978682 0.982495 0.600689 W\n0.021318 0.017505 0.399311 W\n0.521318 0.482495 0.899311 W\n0.021318 0.517505 0.600689 W\n0.478682 0.517505 0.100689 W\n0.978682 0.482495 0.399311 W\n0.478682 0.017505 0.899311 W\n0.521318 0.982495 0.100689 W\n0.897959 0.524593 0.687850 O\n0.102041 0.475407 0.312150 O\n0.602041 0.024593 0.812150 O\n0.102041 0.975407 0.687850 O\n0.397959 0.975407 0.187850 O\n0.897959 0.024593 0.312150 O\n0.397959 0.475407 0.812150 O\n0.602041 0.524593 0.187850 O\n0.724457 0.658252 0.901109 O\n0.275543 0.341748 0.098891 O\n0.775543 0.158252 0.598891 O\n0.275543 0.841748 0.901109 O\n0.224457 0.841748 0.401109 O\n0.724457 0.158252 0.098891 O\n0.224457 0.341748 0.598891 O\n0.775543 0.658252 0.401109 O\n0.744242 0.996661 0.964426 O\n0.255758 0.003339 0.035574 O\n0.755758 0.496661 0.535574 O\n0.255758 0.503339 0.964426 O\n0.244242 0.503339 0.464426 O\n0.744242 0.496661 0.035574 O\n0.244242 0.003339 0.535574 O\n0.755758 0.996661 0.464426 O\n0.761286 0.810943 0.592087 O\n0.238714 0.189057 0.407913 O\n0.738714 0.310943 0.907913 O\n0.238714 0.689057 0.592087 O\n0.261286 0.689057 0.092087 O\n0.761286 0.310943 0.407913 O\n0.261286 0.189057 0.907913 O\n0.738714 0.810943 0.092087 O\n","nsites":48,"nelements":4,"elements":["Nd","Tl","W","O"],"chemical_system":"Nd-O-Tl-W","density":6.681146444287709,"density_atomic":0.05718552246207843,"volume":839.3732877378249,"volume_molar":10.530883518627423,"formula_full":"Nd4 Tl4 W8 O32","formula_reduced":"NdTl(WO4)2","formula_anonymous":"ABC2D8","energy":-407.5750801500001,"energy_per_atom":-8.491147503125001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-350.08708015,"band_gap":4.0423,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003411,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.979000Z","spacegroup":60},{"id":"mp-850954","created_at":"2022-09-04T14:41:00.450252Z","structure_string":"Li42 Co8 O32\n1.0\n9.374246 0.000000 0.000000\n0.000000 9.089053 0.000000\n0.000000 0.031881 9.431796\nLi Co O\n42 8 32\ndirect\n0.114065 0.888140 0.364058 Li\n0.891216 0.882737 0.135057 Li\n0.885935 0.888140 0.864058 Li\n0.108784 0.882737 0.635057 Li\n0.358188 0.879279 0.159854 Li\n0.641812 0.879279 0.659854 Li\n0.627871 0.847420 0.101816 Li\n0.372129 0.847420 0.601816 Li\n0.136891 0.672598 0.114881 Li\n0.863109 0.672598 0.614881 Li\n0.381887 0.655664 0.392567 Li\n0.408613 0.633089 0.119765 Li\n0.618113 0.655664 0.892567 Li\n0.591387 0.633089 0.619765 Li\n0.866968 0.612496 0.139032 Li\n0.133032 0.612496 0.639032 Li\n0.854440 0.648449 0.377729 Li\n0.145560 0.648449 0.877729 Li\n0.619394 0.604299 0.352612 Li\n0.380606 0.604299 0.852612 Li\n0.114040 0.393984 0.148976 Li\n0.885960 0.393984 0.648976 Li\n0.354946 0.386358 0.114960 Li\n0.645054 0.386358 0.614960 Li\n0.896922 0.371135 0.379563 Li\n0.367029 0.380427 0.361570 Li\n0.103078 0.371135 0.879563 Li\n0.632971 0.380427 0.861570 Li\n0.870681 0.337433 0.113249 Li\n0.129319 0.337433 0.613249 Li\n0.631247 0.331626 0.374706 Li\n0.368753 0.331626 0.874706 Li\n0.135107 0.161261 0.395089 Li\n0.371364 0.134936 0.107457 Li\n0.864893 0.161261 0.895089 Li\n0.628636 0.134936 0.607457 Li\n0.627994 0.119733 0.137263 Li\n0.395045 0.116099 0.374131 Li\n0.372006 0.119733 0.637263 Li\n0.604955 0.116099 0.874131 Li\n0.865021 0.101173 0.347859 Li\n0.134979 0.101173 0.847859 Li\n0.619519 0.888638 0.378527 Co\n0.380481 0.888638 0.878527 Co\n0.118809 0.606484 0.375442 Co\n0.881191 0.606484 0.875442 Co\n0.618475 0.397588 0.121052 Co\n0.381525 0.397588 0.621052 Co\n0.103340 0.110849 0.124285 Co\n0.896660 0.110849 0.624285 Co\n0.489229 0.990096 0.011617 O\n0.510771 0.990096 0.511617 O\n0.733471 0.974007 0.243896 O\n0.266529 0.974007 0.743896 O\n0.714922 0.744587 0.495573 O\n0.504311 0.758086 0.257768 O\n0.285078 0.744587 0.995573 O\n0.495689 0.758086 0.757768 O\n0.781505 0.741346 0.994321 O\n0.218495 0.741346 0.494321 O\n0.002589 0.729755 0.257380 O\n0.997411 0.729755 0.757380 O\n0.251991 0.527624 0.246295 O\n0.748009 0.527624 0.746295 O\n0.005071 0.517024 0.005060 O\n0.994929 0.517024 0.505060 O\n0.510241 0.491060 0.484844 O\n0.489759 0.491060 0.984844 O\n0.759783 0.478893 0.257333 O\n0.240217 0.478893 0.757333 O\n0.486420 0.261392 0.233521 O\n0.222932 0.253463 0.013370 O\n0.279561 0.254036 0.500906 O\n0.513580 0.261392 0.733521 O\n0.000451 0.244895 0.246689 O\n0.777068 0.253463 0.513370 O\n0.720439 0.254036 0.000906 O\n0.999549 0.244895 0.746689 O\n0.236711 0.029258 0.246690 O\n0.763289 0.029258 0.746690 O\n0.007721 0.020193 0.495523 O\n0.992279 0.020193 0.995523 O\n","nsites":82,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":2.6345055869820073,"density_atomic":0.10203859534445023,"volume":803.6174912364656,"volume_molar":5.9018264017366615,"formula_full":"Li42 Co8 O32","formula_reduced":"Li21(CoO4)4","formula_anonymous":"A4B16C21","energy":-450.7714124200001,"energy_per_atom":-5.497212346585367,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-415.68341242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.9999213,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.421000Z","spacegroup":7},{"id":"mp-1181470","created_at":"2022-09-04T14:41:00.474517Z","structure_string":"Gd2 Zn6 Ge3\n1.0\n8.747288 -0.000138 0.000103\n-4.373763 7.575565 0.000226\n0.000039 0.000122 3.321974\nGd Zn Ge\n2 6 3\ndirect\n0.666664 0.333323 0.000011 Gd\n0.333323 0.666670 0.999992 Gd\n0.750175 0.999998 0.500000 Zn\n0.000002 0.750173 0.500001 Zn\n0.217407 0.999997 0.000002 Zn\n0.782590 0.782593 0.999999 Zn\n0.249822 0.249828 0.499999 Zn\n0.000001 0.217414 0.000001 Zn\n0.456941 0.999966 0.499991 Ge\n0.543037 0.543061 0.500004 Ge\n0.000038 0.456977 0.499999 Ge\n","nsites":11,"nelements":3,"elements":["Gd","Zn","Ge"],"chemical_system":"Gd-Ge-Zn","density":6.976714336352341,"density_atomic":0.04997030013750791,"volume":220.13075706430178,"volume_molar":12.051440042241724,"formula_full":"Gd2 Zn6 Ge3","formula_reduced":"Gd2(Zn2Ge)3","formula_anonymous":"A2B3C6","energy":-51.71986678,"energy_per_atom":-4.7018060709090905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.71986678,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.2542592,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.983000Z","spacegroup":189},{"id":"mp-1113062","created_at":"2022-09-04T14:41:00.479634Z","structure_string":"Cs2 Y1 In1 F6\n1.0\n0.000000 4.876627 4.876627\n4.876627 0.000000 4.876627\n4.876627 4.876627 0.000000\nCs Y In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n0.774844 0.225156 0.225156 F\n0.225156 0.225156 0.774844 F\n0.225156 0.774844 0.774844 F\n0.225156 0.774844 0.225156 F\n0.774844 0.225156 0.774844 F\n0.774844 0.774844 0.225156 F\n","nsites":10,"nelements":4,"elements":["Cs","Y","In","F"],"chemical_system":"Cs-F-In-Y","density":4.177534847288204,"density_atomic":0.0431133120779155,"volume":231.94692121838702,"volume_molar":13.968170084257574,"formula_full":"Cs2 Y1 In1 F6","formula_reduced":"Cs2YInF6","formula_anonymous":"ABC2D6","energy":-55.7724613,"energy_per_atom":-5.577246130000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.0004613,"band_gap":4.0503,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0067585,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.178000Z","spacegroup":225},{"id":"mp-753714","created_at":"2022-09-04T14:41:00.144140Z","structure_string":"Li12 Cu4 S8\n1.0\n-4.593280 4.593280 4.593280\n4.593280 -4.593280 4.593280\n4.593280 4.593280 -4.593280\nLi Cu S\n12 4 8\ndirect\n0.865816 0.250000 0.115816 Li\n0.865816 0.115816 0.750000 Li\n0.634184 0.384184 0.250000 Li\n0.750000 0.384184 0.634184 Li\n0.750000 0.865816 0.115816 Li\n0.634184 0.750000 0.384184 Li\n0.384184 0.250000 0.634184 Li\n0.250000 0.634184 0.384184 Li\n0.250000 0.115816 0.865816 Li\n0.115816 0.865816 0.250000 Li\n0.384184 0.634184 0.750000 Li\n0.115816 0.750000 0.865816 Li\n0.500000 0.000000 0.250000 Cu\n0.250000 0.500000 0.000000 Cu\n0.250000 0.250000 0.250000 Cu\n0.000000 0.250000 0.500000 Cu\n0.980696 0.500000 0.000000 S\n0.519304 0.500000 0.000000 S\n0.500000 0.000000 0.519304 S\n0.500000 0.000000 0.980696 S\n0.519304 0.519304 0.519304 S\n0.980696 0.980696 0.980696 S\n0.000000 0.519304 0.500000 S\n0.000000 0.980696 0.500000 S\n","nsites":24,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":2.5445082652514404,"density_atomic":0.06191309144286369,"volume":387.64014912982225,"volume_molar":9.726764759529923,"formula_full":"Li12 Cu4 S8","formula_reduced":"Li3CuS2","formula_anonymous":"AB2C3","energy":-99.63984268,"energy_per_atom":-4.151660111666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.61584268,"band_gap":2.0501,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008111,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.468000Z","spacegroup":214},{"id":"mp-1226938","created_at":"2022-09-04T14:41:00.150116Z","structure_string":"Ce6 In6 Pd3 Rh3\n1.0\n4.096670 0.000000 0.000000\n0.000000 7.684788 0.000000\n0.000000 0.002488 13.138720\nCe In Pd Rh\n6 6 3 3\ndirect\n0.500000 0.407608 0.001266 Ce\n0.500000 0.909882 0.493915 Ce\n0.500000 0.798247 0.797127 Ce\n0.500000 0.287978 0.299042 Ce\n0.500000 0.297376 0.701871 Ce\n0.500000 0.805033 0.207043 Ce\n0.000000 0.749599 0.001403 In\n0.000000 0.247917 0.499197 In\n0.000000 0.627854 0.623853 In\n0.000000 0.125803 0.125212 In\n0.000000 0.126277 0.875366 In\n0.000000 0.625032 0.374910 In\n0.000000 0.000179 0.666459 Pd\n0.000000 0.499812 0.166256 Pd\n0.000000 0.499717 0.833611 Pd\n0.000000 0.999892 0.333430 Rh\n0.500000 0.996579 0.999812 Rh\n0.500000 0.495415 0.500228 Rh\n","nsites":18,"nelements":4,"elements":["Ce","In","Pd","Rh"],"chemical_system":"Ce-In-Pd-Rh","density":8.661640923603908,"density_atomic":0.04351676221145915,"volume":413.6337145795307,"volume_molar":13.838669179331102,"formula_full":"Ce6 In6 Pd3 Rh3","formula_reduced":"Ce2In2PdRh","formula_anonymous":"ABC2D2","energy":-102.39443887,"energy_per_atom":-5.688579937222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.39443887,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.325707,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.328000Z","spacegroup":6},{"id":"mp-1221030","created_at":"2022-09-04T14:41:00.152165Z","structure_string":"Ni32 Sn24\n1.0\n5.213783 0.000000 0.000000\n0.000000 7.066098 0.000000\n0.000000 0.042638 24.578161\nNi Sn\n32 24\ndirect\n0.247381 0.742396 0.208316 Ni\n0.245115 0.738750 0.541344 Ni\n0.245453 0.739719 0.874872 Ni\n0.751565 0.242552 0.291940 Ni\n0.752128 0.233579 0.625243 Ni\n0.752572 0.233025 0.959135 Ni\n0.745745 0.261049 0.126597 Ni\n0.744379 0.260824 0.456227 Ni\n0.743261 0.264732 0.791438 Ni\n0.251984 0.758353 0.041591 Ni\n0.253040 0.759389 0.375143 Ni\n0.252536 0.759582 0.708241 Ni\n0.254255 0.261049 0.126597 Ni\n0.255621 0.260824 0.456227 Ni\n0.256739 0.264732 0.791438 Ni\n0.748016 0.758353 0.041591 Ni\n0.746960 0.759389 0.375143 Ni\n0.747464 0.759582 0.708241 Ni\n0.752619 0.742396 0.208316 Ni\n0.754885 0.738750 0.541344 Ni\n0.754547 0.739719 0.874872 Ni\n0.248435 0.242552 0.291940 Ni\n0.247872 0.233579 0.625243 Ni\n0.247428 0.233025 0.959135 Ni\n0.000000 0.904633 0.623030 Ni\n0.000000 0.904338 0.957006 Ni\n0.500000 0.588811 0.123758 Ni\n0.500000 0.587303 0.459392 Ni\n0.500000 0.590412 0.791349 Ni\n0.500000 0.086840 0.042839 Ni\n0.500000 0.086604 0.374266 Ni\n0.500000 0.086811 0.708737 Ni\n0.000000 0.091527 0.049141 Sn\n0.000000 0.083069 0.375379 Sn\n0.000000 0.092010 0.714597 Sn\n0.000000 0.584901 0.123981 Sn\n0.000000 0.585690 0.456246 Sn\n0.000000 0.588389 0.789859 Sn\n0.500000 0.901754 0.286432 Sn\n0.500000 0.898420 0.619545 Sn\n0.500000 0.898500 0.953541 Sn\n0.500000 0.406110 0.213586 Sn\n0.500000 0.398905 0.546695 Sn\n0.500000 0.401723 0.880411 Sn\n0.000000 0.085069 0.208744 Sn\n0.000000 0.096904 0.535128 Sn\n0.000000 0.097615 0.869535 Sn\n0.000000 0.583684 0.292534 Sn\n0.000000 0.552429 0.625828 Sn\n0.000000 0.551701 0.958940 Sn\n0.500000 0.940888 0.136558 Sn\n0.500000 0.940589 0.468348 Sn\n0.500000 0.942632 0.803020 Sn\n0.500000 0.437381 0.030931 Sn\n0.500000 0.441892 0.364675 Sn\n0.500000 0.438566 0.697793 Sn\n","nsites":56,"nelements":2,"elements":["Ni","Sn"],"chemical_system":"Ni-Sn","density":8.669094307797858,"density_atomic":0.061845205107771285,"volume":905.4865272483866,"volume_molar":9.737441648881,"formula_full":"Ni32 Sn24","formula_reduced":"Ni4Sn3","formula_anonymous":"A3B4","energy":-295.6696407,"energy_per_atom":-5.2798150125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.6696407,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0225941,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.669000Z","spacegroup":6},{"id":"mp-1213046","created_at":"2022-09-04T14:41:00.163977Z","structure_string":"Cu4 N2 O12\n1.0\n5.870991 0.000000 0.000000\n0.000000 5.369425 0.000000\n0.000000 0.535379 7.099863\nCu N O\n4 2 12\ndirect\n0.732698 0.999571 0.002505 Cu\n0.232698 0.000429 0.997495 Cu\n0.983469 0.505577 0.001496 Cu\n0.483469 0.494423 0.998504 Cu\n0.501921 0.762817 0.418540 N\n0.001921 0.237183 0.581460 N\n0.984914 0.887967 0.129925 O\n0.484914 0.112033 0.870075 O\n0.728683 0.689856 0.897417 O\n0.228683 0.310144 0.102583 O\n0.619658 0.913577 0.498519 O\n0.119658 0.086423 0.501481 O\n0.495264 0.784758 0.235491 O\n0.995264 0.215242 0.764509 O\n0.739505 0.311195 0.102753 O\n0.239505 0.688805 0.897247 O\n0.890887 0.406513 0.496987 O\n0.390887 0.593487 0.503013 O\n","nsites":18,"nelements":3,"elements":["Cu","N","O"],"chemical_system":"Cu-N-O","density":3.5181350608584863,"density_atomic":0.08042356885845545,"volume":223.814986769361,"volume_molar":7.488029747347944,"formula_full":"Cu4 N2 O12","formula_reduced":"Cu2NO6","formula_anonymous":"AB2C6","energy":-105.13607354,"energy_per_atom":-5.840892974444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.89207354,"band_gap":0.0173,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9935493,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.298000Z","spacegroup":4},{"id":"mp-1239253","created_at":"2022-09-04T14:41:00.227712Z","structure_string":"Nb1 Cr3 Ag2 S8\n1.0\n3.657563 6.224595 0.000000\n-3.657563 6.224595 0.000000\n0.000000 4.125289 6.000821\nNb Cr Ag S\n1 3 2 8\ndirect\n0.662952 0.337048 0.500000 Nb\n0.614279 0.385721 0.000000 Cr\n0.611679 0.886171 0.504617 Cr\n0.113829 0.388321 0.495383 Cr\n0.006678 0.728552 0.880264 Ag\n0.271448 0.993322 0.119736 Ag\n0.382467 0.150786 0.268128 S\n0.846561 0.133498 0.247232 S\n0.372495 0.151825 0.708266 S\n0.385683 0.581962 0.266243 S\n0.849214 0.617533 0.731872 S\n0.866502 0.153439 0.752768 S\n0.848175 0.627505 0.291734 S\n0.418038 0.614317 0.733757 S\n","nsites":14,"nelements":4,"elements":["Nb","Cr","Ag","S"],"chemical_system":"Ag-Cr-Nb-S","density":4.382599378666046,"density_atomic":0.05123708960817292,"volume":273.23956350883043,"volume_molar":11.753479376079545,"formula_full":"Nb1 Cr3 Ag2 S8","formula_reduced":"NbCr3(AgS4)2","formula_anonymous":"AB2C3D8","energy":-90.35089387,"energy_per_atom":-6.453635276428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.32689387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.9951017,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.891000Z","spacegroup":5}]}