{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=12130","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=12128","results":[{"id":"mp-1201454","created_at":"2022-09-04T14:42:50.041666Z","structure_string":"Sm22 Sn20\n1.0\n-5.932668 5.932668 8.766826\n5.932668 -5.932668 8.766826\n5.932668 5.932668 -8.766826\nSm Sn\n22 20\ndirect\n0.810459 0.061925 0.251466 Sm\n0.810459 0.558993 0.748534 Sm\n0.061925 0.810459 0.251466 Sm\n0.558993 0.810459 0.748534 Sm\n0.189541 0.938075 0.748534 Sm\n0.189541 0.441007 0.251466 Sm\n0.938075 0.189541 0.748534 Sm\n0.441007 0.189541 0.251466 Sm\n0.174869 0.174869 0.349739 Sm\n0.825131 0.825131 0.650261 Sm\n0.174869 0.825131 0.000000 Sm\n0.825131 0.174869 0.000000 Sm\n0.661996 0.661996 0.000000 Sm\n0.338004 0.338004 0.000000 Sm\n0.602315 0.929867 0.327552 Sm\n0.602315 0.274762 0.672448 Sm\n0.929867 0.602315 0.327552 Sm\n0.274762 0.602315 0.672448 Sm\n0.397685 0.070133 0.672448 Sm\n0.397685 0.725238 0.327552 Sm\n0.070133 0.397685 0.672448 Sm\n0.725238 0.397685 0.327552 Sm\n0.358667 0.000000 0.358667 Sn\n0.641333 0.000000 0.641333 Sn\n0.000000 0.641333 0.641333 Sn\n0.000000 0.358667 0.358667 Sn\n0.889373 0.889373 0.000000 Sn\n0.110627 0.110627 0.000000 Sn\n0.372607 0.372607 0.745213 Sn\n0.627393 0.627393 0.254787 Sn\n0.372607 0.627393 0.000000 Sn\n0.627393 0.372607 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.884997 0.884997 0.415489 Sn\n0.469508 0.469508 0.584511 Sn\n0.884997 0.469508 0.000000 Sn\n0.469508 0.884997 0.000000 Sn\n0.115003 0.115003 0.584511 Sn\n0.530492 0.530492 0.415489 Sn\n0.115003 0.530492 0.000000 Sn\n0.530492 0.115003 0.000000 Sn\n","nsites":42,"nelements":2,"elements":["Sm","Sn"],"chemical_system":"Sm-Sn","density":7.644639847220819,"density_atomic":0.03402881466575645,"volume":1234.2481045119987,"volume_molar":17.697180519367734,"formula_full":"Sm22 Sn20","formula_reduced":"Sm11Sn10","formula_anonymous":"A10B11","energy":-215.95695158,"energy_per_atom":-5.14183218047619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.95695158,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.2464913,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.695000Z","spacegroup":139},{"id":"mp-542428","created_at":"2022-09-04T14:43:04.386292Z","structure_string":"Ba22 Sb20\n1.0\n-6.421721 6.687305 9.918345\n6.421721 -6.687305 9.918345\n6.421721 6.687305 -9.918345\nBa Sb\n22 20\ndirect\n0.432897 0.110060 0.322837 Ba\n0.567103 0.889940 0.677163 Ba\n0.212777 0.889940 0.322837 Ba\n0.787223 0.110060 0.677163 Ba\n0.148896 0.148896 0.000000 Ba\n0.851104 0.851104 0.000000 Ba\n0.565322 0.313154 0.252168 Ba\n0.434678 0.686846 0.747832 Ba\n0.939013 0.686846 0.252168 Ba\n0.060987 0.313154 0.747832 Ba\n0.100182 0.428295 0.328113 Ba\n0.899818 0.227931 0.328113 Ba\n0.899818 0.571705 0.671887 Ba\n0.100182 0.772069 0.671887 Ba\n0.304088 0.553676 0.249588 Ba\n0.695912 0.945499 0.249588 Ba\n0.695912 0.446324 0.750412 Ba\n0.304088 0.054501 0.750412 Ba\n0.335238 0.326020 0.661258 Ba\n0.664762 0.326020 0.990782 Ba\n0.335238 0.673980 0.009218 Ba\n0.664762 0.673980 0.338742 Ba\n0.385752 0.385752 0.000000 Sb\n0.614248 0.614248 0.000000 Sb\n0.244897 0.744897 0.500000 Sb\n0.755103 0.255103 0.500000 Sb\n0.848838 0.500000 0.348838 Sb\n0.151162 0.500000 0.651162 Sb\n0.500000 0.114820 0.614820 Sb\n0.500000 0.885180 0.385180 Sb\n0.395215 0.398275 0.424389 Sb\n0.604785 0.029174 0.003060 Sb\n0.026115 0.601725 0.996940 Sb\n0.973885 0.970826 0.575611 Sb\n0.604785 0.601725 0.575611 Sb\n0.395215 0.970826 0.996940 Sb\n0.973885 0.398275 0.003060 Sb\n0.026115 0.029174 0.424389 Sb\n0.129902 0.109533 0.239435 Sb\n0.870098 0.109533 0.979630 Sb\n0.129902 0.890467 0.020370 Sb\n0.870098 0.890467 0.760565 Sb\n","nsites":42,"nelements":2,"elements":["Ba","Sb"],"chemical_system":"Ba-Sb","density":5.318057805305445,"density_atomic":0.024651736893380703,"volume":1703.733906525569,"volume_molar":24.428870006384898,"formula_full":"Ba22 Sb20","formula_reduced":"Ba11Sb10","formula_anonymous":"A10B11","energy":-171.00902349,"energy_per_atom":-4.0716434164285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.16902349,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002278,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.962000Z","spacegroup":71},{"id":"mp-705555","created_at":"2022-09-04T14:43:01.442679Z","structure_string":"Fe20 O22\n1.0\n6.810320 0.000000 0.000000\n-2.145893 6.550603 0.000000\n-2.601589 -2.213225 10.200542\nFe O\n20 22\ndirect\n0.500000 0.000000 0.500000 Fe\n0.668272 0.912399 0.270387 Fe\n0.500000 0.000000 0.000000 Fe\n0.130956 0.178093 0.953103 Fe\n0.331728 0.087601 0.729613 Fe\n0.944731 0.259378 0.684859 Fe\n0.142786 0.180539 0.451003 Fe\n0.762125 0.360692 0.406408 Fe\n0.966056 0.273159 0.186028 Fe\n0.582563 0.442628 0.137312 Fe\n0.774996 0.348923 0.908719 Fe\n0.417437 0.557372 0.862688 Fe\n0.593724 0.470581 0.641573 Fe\n0.237875 0.639308 0.593592 Fe\n0.406276 0.529419 0.358427 Fe\n0.055269 0.740622 0.315141 Fe\n0.225004 0.651077 0.091281 Fe\n0.869044 0.821907 0.046897 Fe\n0.033944 0.726841 0.813972 Fe\n0.857214 0.819461 0.548997 Fe\n0.077001 0.445693 0.378728 O\n0.904074 0.532072 0.120073 O\n0.095926 0.467928 0.879927 O\n0.741860 0.624332 0.852952 O\n0.922999 0.554307 0.621272 O\n0.538866 0.719353 0.560154 O\n0.735331 0.651668 0.337864 O\n0.372814 0.802946 0.301734 O\n0.552086 0.733399 0.078663 O\n0.173228 0.890399 0.003625 O\n0.340059 0.821252 0.794262 O\n0.028788 0.000016 0.754824 O\n0.182996 0.915719 0.533567 O\n0.817004 0.084281 0.466433 O\n0.971212 0.999984 0.245176 O\n0.659941 0.178748 0.205738 O\n0.826772 0.109601 0.996375 O\n0.447914 0.266601 0.921337 O\n0.627186 0.197054 0.698266 O\n0.264669 0.348332 0.662136 O\n0.461134 0.280647 0.439846 O\n0.258140 0.375668 0.147048 O\n","nsites":42,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":5.36000726856962,"density_atomic":0.09229480221337524,"volume":455.0635462970136,"volume_molar":6.524896977489031,"formula_full":"Fe20 O22","formula_reduced":"Fe10O11","formula_anonymous":"A10B11","energy":-340.87579261,"energy_per_atom":-8.116090300238096,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.64179261,"band_gap":1.2106,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":83.9998863,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.845000Z","spacegroup":2},{"id":"mp-16475","created_at":"2022-09-04T14:43:16.321018Z","structure_string":"Sr22 Sb20\n1.0\n-6.283637 6.283637 9.243327\n6.283637 -6.283637 9.243327\n6.283637 6.283637 -9.243327\nSr Sb\n22 20\ndirect\n0.810277 0.060621 0.250344 Sr\n0.810277 0.559933 0.749656 Sr\n0.060621 0.810277 0.250344 Sr\n0.559933 0.810277 0.749656 Sr\n0.189723 0.939379 0.749656 Sr\n0.189723 0.440067 0.250344 Sr\n0.939379 0.189723 0.749656 Sr\n0.440067 0.189723 0.250344 Sr\n0.169106 0.169106 0.338211 Sr\n0.830894 0.830894 0.661789 Sr\n0.169106 0.830894 0.000000 Sr\n0.830894 0.169106 0.000000 Sr\n0.655275 0.655275 0.000000 Sr\n0.344725 0.344725 0.000000 Sr\n0.604870 0.939581 0.334711 Sr\n0.604870 0.270159 0.665289 Sr\n0.939581 0.604870 0.334711 Sr\n0.270159 0.604870 0.665289 Sr\n0.395130 0.060419 0.665289 Sr\n0.395130 0.729841 0.334711 Sr\n0.060419 0.395130 0.665289 Sr\n0.729841 0.395130 0.334711 Sr\n0.353690 0.000000 0.353690 Sb\n0.646310 0.000000 0.646310 Sb\n0.000000 0.646310 0.646310 Sb\n0.000000 0.353690 0.353690 Sb\n0.878099 0.878099 0.000000 Sb\n0.121901 0.121901 0.000000 Sb\n0.378804 0.378804 0.757608 Sb\n0.621196 0.621196 0.242392 Sb\n0.378804 0.621196 0.000000 Sb\n0.621196 0.378804 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.889089 0.889089 0.419472 Sb\n0.469617 0.469617 0.580528 Sb\n0.889089 0.469617 0.000000 Sb\n0.469617 0.889089 0.000000 Sb\n0.110911 0.110911 0.580528 Sb\n0.530383 0.530383 0.419472 Sb\n0.110911 0.530383 0.000000 Sb\n0.530383 0.110911 0.000000 Sb\n","nsites":42,"nelements":2,"elements":["Sr","Sb"],"chemical_system":"Sb-Sr","density":4.962584314331517,"density_atomic":0.02876992999865247,"volume":1459.8575666317993,"volume_molar":20.932066085256604,"formula_full":"Sr22 Sb20","formula_reduced":"Sr11Sb10","formula_anonymous":"A10B11","energy":-164.59697942,"energy_per_atom":-3.9189757004761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.75697942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9029393,"is_theoretical":false,"updated_at":"2021-11-28T01:36:17.340000Z","spacegroup":139},{"id":"mp-1213526","created_at":"2022-09-04T14:39:33.462134Z","structure_string":"Dy22 Ge20\n1.0\n-5.480804 5.480804 8.261040\n5.480804 -5.480804 8.261040\n5.480804 5.480804 -8.261040\nDy Ge\n22 20\ndirect\n0.159830 0.159830 0.000000 Dy\n0.840171 0.840171 0.000000 Dy\n0.322076 0.322076 0.644151 Dy\n0.677924 0.677924 0.355849 Dy\n0.322076 0.677924 0.000000 Dy\n0.677924 0.322076 0.000000 Dy\n0.426631 0.102741 0.323890 Dy\n0.573369 0.897259 0.676110 Dy\n0.778852 0.102741 0.676110 Dy\n0.102741 0.778852 0.676110 Dy\n0.221148 0.897259 0.323890 Dy\n0.897259 0.221148 0.323890 Dy\n0.102741 0.426631 0.323890 Dy\n0.897259 0.573369 0.676110 Dy\n0.562102 0.309921 0.252181 Dy\n0.437898 0.690079 0.747819 Dy\n0.057740 0.309921 0.747819 Dy\n0.309921 0.057740 0.747819 Dy\n0.942260 0.690079 0.252181 Dy\n0.690079 0.942260 0.252181 Dy\n0.309921 0.562102 0.252181 Dy\n0.690079 0.437898 0.747819 Dy\n0.391301 0.391301 0.419405 Ge\n0.608699 0.608699 0.580595 Ge\n0.971896 0.971896 0.580595 Ge\n0.391301 0.971896 0.000000 Ge\n0.028104 0.608699 0.000000 Ge\n0.028104 0.028104 0.419405 Ge\n0.608699 0.028104 0.000000 Ge\n0.971896 0.391301 0.000000 Ge\n0.387022 0.387022 0.000000 Ge\n0.612978 0.612978 0.000000 Ge\n0.119476 0.119476 0.238951 Ge\n0.880524 0.880524 0.761049 Ge\n0.119476 0.880524 0.000000 Ge\n0.880524 0.119476 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.500000 0.138480 0.638480 Ge\n0.500000 0.861520 0.361520 Ge\n0.138480 0.500000 0.638480 Ge\n0.861520 0.500000 0.361520 Ge\n","nsites":42,"nelements":2,"elements":["Dy","Ge"],"chemical_system":"Dy-Ge","density":8.410926382946142,"density_atomic":0.042312241336953486,"volume":992.6205436751281,"volume_molar":14.232620560188925,"formula_full":"Dy22 Ge20","formula_reduced":"Dy11Ge10","formula_anonymous":"A10B11","energy":-229.3691526,"energy_per_atom":-5.4611703,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.3691526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00113,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.713000Z","spacegroup":139},{"id":"mp-1202367","created_at":"2022-09-04T14:39:22.689188Z","structure_string":"Nd22 Sn20\n1.0\n-5.994526 5.994526 8.913056\n5.994526 -5.994526 8.913056\n5.994526 5.994526 -8.913056\nNd Sn\n22 20\ndirect\n0.809828 0.061678 0.251851 Nd\n0.809828 0.557977 0.748149 Nd\n0.061678 0.809828 0.251851 Nd\n0.557977 0.809828 0.748149 Nd\n0.190172 0.938322 0.748149 Nd\n0.190172 0.442023 0.251851 Nd\n0.938322 0.190172 0.748149 Nd\n0.442023 0.190172 0.251851 Nd\n0.177236 0.177236 0.354472 Nd\n0.822764 0.822764 0.645528 Nd\n0.177236 0.822764 0.000000 Nd\n0.822764 0.177236 0.000000 Nd\n0.661269 0.661269 0.000000 Nd\n0.338731 0.338731 0.000000 Nd\n0.602538 0.927537 0.324999 Nd\n0.602538 0.277540 0.675001 Nd\n0.927537 0.602538 0.324999 Nd\n0.277540 0.602538 0.675001 Nd\n0.397462 0.072463 0.675001 Nd\n0.397462 0.722460 0.324999 Nd\n0.072463 0.397462 0.675001 Nd\n0.722460 0.397462 0.324999 Nd\n0.361650 0.000000 0.361650 Sn\n0.638350 0.000000 0.638350 Sn\n0.000000 0.638350 0.638350 Sn\n0.000000 0.361650 0.361650 Sn\n0.888590 0.888590 0.000000 Sn\n0.111410 0.111410 0.000000 Sn\n0.375125 0.375125 0.750250 Sn\n0.624875 0.624875 0.249750 Sn\n0.375125 0.624875 0.000000 Sn\n0.624875 0.375125 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.886851 0.886851 0.416999 Sn\n0.469852 0.469852 0.583001 Sn\n0.886851 0.469852 0.000000 Sn\n0.469852 0.886851 0.000000 Sn\n0.113149 0.113149 0.583001 Sn\n0.530148 0.530148 0.416999 Sn\n0.113149 0.530148 0.000000 Sn\n0.530148 0.113149 0.000000 Sn\n","nsites":42,"nelements":2,"elements":["Nd","Sn"],"chemical_system":"Nd-Sn","density":7.190382013183094,"density_atomic":0.032783322611926395,"volume":1281.1392090172285,"volume_molar":18.36952535680193,"formula_full":"Nd22 Sn20","formula_reduced":"Nd11Sn10","formula_anonymous":"A10B11","energy":-217.00080708,"energy_per_atom":-5.166685882857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-217.00080708,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6054824,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.250000Z","spacegroup":139},{"id":"mp-30624","created_at":"2022-09-04T14:47:24.051195Z","structure_string":"Dy22 Sn20\n1.0\n-5.829130 5.829130 8.539466\n5.829130 -5.829130 8.539466\n5.829130 5.829130 -8.539466\nDy Sn\n22 20\ndirect\n0.811438 0.063455 0.252017 Dy\n0.811438 0.559420 0.747983 Dy\n0.063455 0.811438 0.252017 Dy\n0.559420 0.811438 0.747983 Dy\n0.188562 0.936545 0.747983 Dy\n0.188562 0.440580 0.252017 Dy\n0.936545 0.188562 0.747983 Dy\n0.440580 0.188562 0.252017 Dy\n0.174511 0.174511 0.349022 Dy\n0.825489 0.825489 0.650978 Dy\n0.174511 0.825489 0.000000 Dy\n0.825489 0.174511 0.000000 Dy\n0.664161 0.664161 0.000000 Dy\n0.335839 0.335839 0.000000 Dy\n0.602060 0.931714 0.329653 Dy\n0.602060 0.272407 0.670347 Dy\n0.931714 0.602060 0.329653 Dy\n0.272407 0.602060 0.670347 Dy\n0.397940 0.068286 0.670347 Dy\n0.397940 0.727593 0.329653 Dy\n0.068286 0.397940 0.670347 Dy\n0.727593 0.397940 0.329653 Dy\n0.355974 0.000000 0.355974 Sn\n0.644026 0.000000 0.644026 Sn\n0.000000 0.644026 0.644026 Sn\n0.000000 0.355974 0.355974 Sn\n0.888108 0.888108 0.000000 Sn\n0.111892 0.111892 0.000000 Sn\n0.370471 0.370471 0.740942 Sn\n0.629529 0.629529 0.259058 Sn\n0.370471 0.629529 0.000000 Sn\n0.629529 0.370471 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.882177 0.882177 0.412737 Sn\n0.469441 0.469441 0.587263 Sn\n0.882177 0.469441 0.000000 Sn\n0.469441 0.882177 0.000000 Sn\n0.117823 0.117823 0.587263 Sn\n0.530559 0.530559 0.412737 Sn\n0.117823 0.530559 0.000000 Sn\n0.530559 0.117823 0.000000 Sn\n","nsites":42,"nelements":2,"elements":["Dy","Sn"],"chemical_system":"Dy-Sn","density":8.511566169761647,"density_atomic":0.036186876930730805,"volume":1160.6417453596982,"volume_molar":16.641780863067094,"formula_full":"Dy22 Sn20","formula_reduced":"Dy11Sn10","formula_anonymous":"A10B11","energy":-212.39167584,"energy_per_atom":-5.056944662857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-212.39167584,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.019227,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.430000Z","spacegroup":139},{"id":"mp-1203269","created_at":"2022-09-04T14:45:59.723092Z","structure_string":"Ho22 Sn20\n1.0\n-5.809078 5.809078 8.497787\n5.809078 -5.809078 8.497787\n5.809078 5.809078 -8.497787\nHo Sn\n22 20\ndirect\n0.811490 0.063566 0.252076 Ho\n0.811490 0.559414 0.747924 Ho\n0.063566 0.811490 0.252076 Ho\n0.559414 0.811490 0.747924 Ho\n0.188510 0.936434 0.747924 Ho\n0.188510 0.440586 0.252076 Ho\n0.936434 0.188510 0.747924 Ho\n0.440586 0.188510 0.252076 Ho\n0.174570 0.174570 0.349140 Ho\n0.825430 0.825430 0.650860 Ho\n0.174570 0.825430 0.000000 Ho\n0.825430 0.174570 0.000000 Ho\n0.663936 0.663936 0.000000 Ho\n0.336064 0.336064 0.000000 Ho\n0.602224 0.931942 0.329718 Ho\n0.602224 0.272505 0.670282 Ho\n0.931942 0.602224 0.329718 Ho\n0.272505 0.602224 0.670282 Ho\n0.397776 0.068058 0.670282 Ho\n0.397776 0.727495 0.329718 Ho\n0.068058 0.397776 0.670282 Ho\n0.727495 0.397776 0.329718 Ho\n0.356366 0.000000 0.356366 Sn\n0.643634 0.000000 0.643634 Sn\n0.000000 0.643634 0.643634 Sn\n0.000000 0.356366 0.356366 Sn\n0.887503 0.887503 0.000000 Sn\n0.112497 0.112497 0.000000 Sn\n0.370756 0.370756 0.741512 Sn\n0.629244 0.629244 0.258488 Sn\n0.370756 0.629244 0.000000 Sn\n0.629244 0.370756 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.882391 0.882391 0.413391 Sn\n0.468999 0.468999 0.586609 Sn\n0.882391 0.468999 0.000000 Sn\n0.468999 0.882391 0.000000 Sn\n0.117609 0.117609 0.586609 Sn\n0.531001 0.531001 0.413391 Sn\n0.117609 0.531001 0.000000 Sn\n0.531001 0.117609 0.000000 Sn\n","nsites":42,"nelements":2,"elements":["Ho","Sn"],"chemical_system":"Ho-Sn","density":8.689866478354169,"density_atomic":0.036615843408936394,"volume":1147.0444509752726,"volume_molar":16.446817004166693,"formula_full":"Ho22 Sn20","formula_reduced":"Ho11Sn10","formula_anonymous":"A10B11","energy":-211.27471769,"energy_per_atom":-5.030350421190476,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.27471769,"band_gap":0.0149999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0611709,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.114000Z","spacegroup":139},{"id":"mp-1203550","created_at":"2022-09-04T14:45:58.583055Z","structure_string":"Tm22 Ge20\n1.0\n-5.404078 5.404078 8.089818\n5.404078 -5.404078 8.089818\n5.404078 5.404078 -8.089818\nTm Ge\n22 20\ndirect\n0.810005 0.062526 0.252521 Tm\n0.810005 0.557484 0.747479 Tm\n0.062526 0.810005 0.252521 Tm\n0.557484 0.810005 0.747479 Tm\n0.189995 0.937474 0.747479 Tm\n0.189995 0.442516 0.252521 Tm\n0.937474 0.189995 0.747479 Tm\n0.442516 0.189995 0.252521 Tm\n0.176795 0.176795 0.353590 Tm\n0.823205 0.823205 0.646410 Tm\n0.176795 0.823205 0.000000 Tm\n0.823205 0.176795 0.000000 Tm\n0.660357 0.660357 0.000000 Tm\n0.339643 0.339643 0.000000 Tm\n0.602767 0.926626 0.323859 Tm\n0.602767 0.278909 0.676141 Tm\n0.926626 0.602767 0.323859 Tm\n0.278909 0.602767 0.676141 Tm\n0.397233 0.073374 0.676141 Tm\n0.397233 0.721091 0.323859 Tm\n0.073374 0.397233 0.676141 Tm\n0.721091 0.397233 0.323859 Tm\n0.360991 0.000000 0.360991 Ge\n0.639009 0.000000 0.639009 Ge\n0.000000 0.639009 0.639009 Ge\n0.000000 0.360991 0.360991 Ge\n0.885172 0.885172 0.000000 Ge\n0.114828 0.114828 0.000000 Ge\n0.379020 0.379020 0.758041 Ge\n0.620980 0.620980 0.241959 Ge\n0.379020 0.620980 0.000000 Ge\n0.620980 0.379020 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.890530 0.890530 0.419700 Ge\n0.470830 0.470830 0.580300 Ge\n0.890530 0.470830 0.000000 Ge\n0.470830 0.890530 0.000000 Ge\n0.109470 0.109470 0.580300 Ge\n0.529170 0.529170 0.419700 Ge\n0.109470 0.529170 0.000000 Ge\n0.529170 0.109470 0.000000 Ge\n","nsites":42,"nelements":2,"elements":["Tm","Ge"],"chemical_system":"Ge-Tm","density":9.083292410278585,"density_atomic":0.04444340556650422,"volume":945.0220896585444,"volume_molar":13.550133441031175,"formula_full":"Tm22 Ge20","formula_reduced":"Tm11Ge10","formula_anonymous":"A10B11","energy":-225.93328842,"energy_per_atom":-5.37936401,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-225.93328842,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0115606,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.987000Z","spacegroup":139},{"id":"mp-1199158","created_at":"2022-09-04T14:45:59.842428Z","structure_string":"Tm22 Sn20\n1.0\n-5.759372 5.759372 8.427168\n5.759372 -5.759372 8.427168\n5.759372 5.759372 -8.427168\nTm Sn\n22 20\ndirect\n0.811601 0.063646 0.252045 Tm\n0.811601 0.559556 0.747955 Tm\n0.063646 0.811601 0.252045 Tm\n0.559556 0.811601 0.747955 Tm\n0.188399 0.936354 0.747955 Tm\n0.188399 0.440444 0.252045 Tm\n0.936354 0.188399 0.747955 Tm\n0.440444 0.188399 0.252045 Tm\n0.174344 0.174344 0.348689 Tm\n0.825656 0.825656 0.651311 Tm\n0.174344 0.825656 0.000000 Tm\n0.825656 0.174344 0.000000 Tm\n0.664162 0.664162 0.000000 Tm\n0.335838 0.335838 0.000000 Tm\n0.602327 0.932579 0.330252 Tm\n0.602327 0.272074 0.669748 Tm\n0.932579 0.602327 0.330252 Tm\n0.272074 0.602327 0.669748 Tm\n0.397673 0.067421 0.669748 Tm\n0.397673 0.727926 0.330252 Tm\n0.067421 0.397673 0.669748 Tm\n0.727926 0.397673 0.330252 Tm\n0.355760 0.000000 0.355760 Sn\n0.644240 0.000000 0.644240 Sn\n0.000000 0.644240 0.644240 Sn\n0.000000 0.355760 0.355760 Sn\n0.887048 0.887048 0.000000 Sn\n0.112952 0.112952 0.000000 Sn\n0.370047 0.370047 0.740094 Sn\n0.629953 0.629953 0.259906 Sn\n0.370047 0.629953 0.000000 Sn\n0.629953 0.370047 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.881854 0.881854 0.413230 Sn\n0.468624 0.468624 0.586770 Sn\n0.881854 0.468624 0.000000 Sn\n0.468624 0.881854 0.000000 Sn\n0.118146 0.118146 0.586770 Sn\n0.531376 0.531376 0.413230 Sn\n0.118146 0.531376 0.000000 Sn\n0.531376 0.118146 0.000000 Sn\n","nsites":42,"nelements":2,"elements":["Tm","Sn"],"chemical_system":"Sn-Tm","density":9.045407849220364,"density_atomic":0.037562750518907416,"volume":1118.1289820312566,"volume_molar":16.03221456578033,"formula_full":"Tm22 Sn20","formula_reduced":"Tm11Sn10","formula_anonymous":"A10B11","energy":-207.41488726,"energy_per_atom":-4.938449696666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.41488726,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.012076,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.363000Z","spacegroup":139},{"id":"mp-1207826","created_at":"2022-09-04T14:45:07.498563Z","structure_string":"Y22 Ge20\n1.0\n-5.482717 5.482717 8.252907\n5.482717 -5.482717 8.252907\n5.482717 5.482717 -8.252907\nY Ge\n22 20\ndirect\n0.159747 0.159747 0.000000 Y\n0.840253 0.840253 0.000000 Y\n0.322744 0.322744 0.645489 Y\n0.677256 0.677256 0.354511 Y\n0.322744 0.677256 0.000000 Y\n0.677256 0.322744 0.000000 Y\n0.426786 0.102696 0.324090 Y\n0.573214 0.897304 0.675910 Y\n0.778606 0.102696 0.675910 Y\n0.102696 0.778606 0.675910 Y\n0.221394 0.897304 0.324090 Y\n0.897304 0.221394 0.324090 Y\n0.102696 0.426786 0.324090 Y\n0.897304 0.573214 0.675910 Y\n0.562131 0.310029 0.252102 Y\n0.437869 0.689971 0.747898 Y\n0.057927 0.310029 0.747898 Y\n0.310029 0.057927 0.747898 Y\n0.942073 0.689971 0.252102 Y\n0.689971 0.942073 0.252102 Y\n0.310029 0.562131 0.252102 Y\n0.689971 0.437869 0.747898 Y\n0.391375 0.391375 0.419355 Ge\n0.608625 0.608625 0.580645 Ge\n0.972021 0.972021 0.580645 Ge\n0.391375 0.972021 0.000000 Ge\n0.027979 0.608625 0.000000 Ge\n0.027979 0.027979 0.419355 Ge\n0.608625 0.027979 0.000000 Ge\n0.972021 0.391375 0.000000 Ge\n0.387190 0.387190 0.000000 Ge\n0.612810 0.612810 0.000000 Ge\n0.119545 0.119545 0.239090 Ge\n0.880455 0.880455 0.760910 Ge\n0.119545 0.880455 0.000000 Ge\n0.880455 0.119545 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.500000 0.139353 0.639353 Ge\n0.500000 0.860647 0.360647 Ge\n0.139353 0.500000 0.639353 Ge\n0.860647 0.500000 0.360647 Ge\n","nsites":42,"nelements":2,"elements":["Y","Ge"],"chemical_system":"Ge-Y","density":5.704044867349658,"density_atomic":0.04232438816222165,"volume":992.335668008281,"volume_molar":14.228535890272612,"formula_full":"Y22 Ge20","formula_reduced":"Y11Ge10","formula_anonymous":"A10B11","energy":-271.45451449,"energy_per_atom":-6.463202725952381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.45451449,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0067309,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.024000Z","spacegroup":139},{"id":"mp-759504","created_at":"2022-09-04T14:44:02.419037Z","structure_string":"Fe10 O11\n1.0\n5.353782 0.000000 0.000000\n-1.738356 6.581746 0.000000\n-1.007084 -2.394697 6.370363\nFe O\n10 11\ndirect\n0.086420 0.345491 0.817562 Fe\n0.556869 0.183849 0.915483 Fe\n0.170414 0.732961 0.638881 Fe\n0.649246 0.555890 0.735489 Fe\n0.273780 0.096275 0.439928 Fe\n0.726220 0.903725 0.560072 Fe\n0.350754 0.444110 0.264511 Fe\n0.829586 0.267039 0.361119 Fe\n0.443131 0.816151 0.084517 Fe\n0.913580 0.654509 0.182438 Fe\n0.168340 0.054812 0.714078 O\n0.062166 0.663777 0.906266 O\n0.500000 0.500000 0.000000 O\n0.674296 0.224562 0.652532 O\n0.240507 0.424218 0.551301 O\n0.574868 0.874966 0.828248 O\n0.325704 0.775438 0.347468 O\n0.425132 0.125034 0.171752 O\n0.759493 0.575782 0.448699 O\n0.831661 0.945188 0.285922 O\n0.937834 0.336223 0.093734 O\n","nsites":21,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":5.43302180732747,"density_atomic":0.09355205095870295,"volume":224.47396700335423,"volume_molar":6.437208696427593,"formula_full":"Fe10 O11","formula_reduced":"Fe10O11","formula_anonymous":"A10B11","energy":-170.19244336,"energy_per_atom":-8.104402064761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.07544336,"band_gap":1.3085999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":41.9999607,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.747000Z","spacegroup":2}]}