{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=37","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=35","results":[{"id":"mp-21157","created_at":"2022-09-04T14:48:28.416169Z","structure_string":"Tm4 Ni4 Ge4\n1.0\n4.195161 0.000000 0.000000\n0.000000 6.811218 0.000000\n0.000000 0.000000 7.252792\nTm Ni Ge\n4 4 4\ndirect\n0.250000 0.507362 0.707066 Tm\n0.250000 0.007362 0.792934 Tm\n0.750000 0.992638 0.207066 Tm\n0.750000 0.492638 0.292934 Tm\n0.750000 0.194609 0.582166 Ni\n0.250000 0.805391 0.417834 Ni\n0.750000 0.694609 0.917834 Ni\n0.250000 0.305391 0.082166 Ni\n0.750000 0.302309 0.911243 Ge\n0.250000 0.197691 0.411243 Ge\n0.250000 0.697691 0.088757 Ge\n0.750000 0.802309 0.588757 Ge\n","nsites":12,"nelements":3,"elements":["Tm","Ni","Ge"],"chemical_system":"Ge-Ni-Tm","density":9.623630505145604,"density_atomic":0.05790320595442648,"volume":207.24241088558665,"volume_molar":10.400358081622993,"formula_full":"Tm4 Ni4 Ge4","formula_reduced":"TmNiGe","formula_anonymous":"ABC","energy":-69.29489714,"energy_per_atom":-5.774574761666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.29489714,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039145,"is_theoretical":false,"updated_at":"2021-11-28T01:39:24.464000Z","spacegroup":62},{"id":"mp-1026349","created_at":"2022-09-04T14:48:29.260113Z","structure_string":"Te2 W3 Se4\n1.0\n1.699905 -2.944322 0.000000\n1.699905 2.944322 0.000000\n0.000000 0.000000 31.482669\nTe W Se\n2 3 4\ndirect\n0.000000 0.000000 0.059794 Te\n0.000000 0.000000 0.940206 Te\n0.000000 0.000000 0.768651 W\n0.000000 0.000000 0.231349 W\n0.333333 0.666667 0.000000 W\n0.333333 0.666667 0.716039 Se\n0.333333 0.666667 0.178698 Se\n0.333333 0.666667 0.821302 Se\n0.333333 0.666667 0.283961 Se\n","nsites":9,"nelements":3,"elements":["Te","W","Se"],"chemical_system":"Se-Te-W","density":5.9148967244267086,"density_atomic":0.028558212123096477,"volume":315.14577877657973,"volume_molar":21.087247107915374,"formula_full":"Te2 W3 Se4","formula_reduced":"Te2W3Se4","formula_anonymous":"A2B3C4","energy":-65.21526971,"energy_per_atom":-7.246141078888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.48326971,"band_gap":0.9778000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007679,"is_theoretical":true,"updated_at":"2021-11-28T01:39:47.110000Z","spacegroup":187},{"id":"mp-1212197","created_at":"2022-09-04T14:48:28.427583Z","structure_string":"Na8 Si48 O96\n1.0\n-9.348757 -9.348757 9.348757\n-9.348757 9.348757 -9.348757\n9.348757 -9.348757 -9.348757\nNa Si O\n8 48 96\ndirect\n0.745099 0.745099 0.745099 Na\n0.254901 0.254901 0.254901 Na\n0.254901 0.000000 0.000000 Na\n-0.000000 0.254901 -0.000000 Na\n0.745099 -0.000000 -0.000000 Na\n-0.000000 0.745099 0.000000 Na\n-0.000000 -0.000000 0.254901 Na\n0.000000 0.000000 0.745099 Na\n0.713578 0.595318 0.477006 Si\n0.286422 0.404682 0.522994 Si\n0.286422 0.763428 0.881740 Si\n0.881688 0.404682 0.118260 Si\n0.595318 0.477006 0.713578 Si\n0.713578 0.118260 0.236572 Si\n0.713578 0.236572 0.118260 Si\n0.118312 0.595318 0.881740 Si\n0.404682 0.522994 0.286422 Si\n0.286422 0.881740 0.763428 Si\n0.118312 0.236572 0.522994 Si\n0.763428 0.881740 0.286422 Si\n0.286422 0.522994 0.404682 Si\n0.881688 0.763428 0.477006 Si\n0.236572 0.118260 0.713578 Si\n0.713578 0.477006 0.595318 Si\n0.404682 0.118260 0.881688 Si\n0.881688 0.477006 0.763428 Si\n0.595318 0.881740 0.118312 Si\n0.118312 0.522994 0.236572 Si\n0.236572 0.522994 0.118312 Si\n0.118312 0.881740 0.595318 Si\n0.763428 0.477006 0.881688 Si\n0.881688 0.118260 0.404682 Si\n0.477006 0.713578 0.595318 Si\n0.595318 0.118312 0.881740 Si\n0.522994 0.286422 0.404682 Si\n0.404682 0.881688 0.118260 Si\n0.118260 0.881688 0.404682 Si\n0.404682 0.286422 0.522994 Si\n0.881740 0.118312 0.595318 Si\n0.595318 0.713578 0.477006 Si\n0.522994 0.118312 0.236572 Si\n0.236572 0.713578 0.118260 Si\n0.477006 0.881688 0.763428 Si\n0.763428 0.286422 0.881740 Si\n0.881740 0.286422 0.763428 Si\n0.763428 0.881688 0.477006 Si\n0.118260 0.713578 0.236572 Si\n0.236572 0.118312 0.522994 Si\n0.118260 0.236572 0.713578 Si\n0.881740 0.763428 0.286422 Si\n0.522994 0.404682 0.286422 Si\n0.477006 0.595318 0.713578 Si\n0.881740 0.595318 0.118312 Si\n0.118260 0.404682 0.881688 Si\n0.477006 0.763428 0.881688 Si\n0.522994 0.236572 0.118312 Si\n0.508701 0.656048 0.656048 O\n0.491299 0.343952 0.343952 O\n0.491299 0.147346 0.147346 O\n-0.000000 0.343952 0.852654 O\n0.656048 0.656048 0.508701 O\n0.508701 0.852654 0.852654 O\n0.000000 0.656048 0.147346 O\n0.343952 0.343952 0.491299 O\n0.000000 0.852654 0.343952 O\n0.147346 0.147346 0.491299 O\n-0.000000 0.147346 0.656048 O\n0.852654 0.852654 0.508701 O\n0.343952 0.852654 0.000000 O\n0.656048 0.147346 -0.000000 O\n0.852654 0.343952 -0.000000 O\n0.147346 0.656048 0.000000 O\n0.656048 0.508701 0.656048 O\n0.656048 -0.000000 0.147346 O\n0.343952 0.491299 0.343952 O\n0.343952 0.000000 0.852654 O\n0.852654 0.000000 0.343952 O\n0.147346 -0.000000 0.656048 O\n0.852654 0.508701 0.852654 O\n0.147346 0.491299 0.147346 O\n0.638503 0.361497 0.500000 O\n0.361497 0.638503 0.500000 O\n0.361497 0.861497 0.722994 O\n0.138503 0.638503 0.277006 O\n0.361497 0.500000 0.638503 O\n0.638503 0.277006 0.138503 O\n0.638503 0.138503 0.277006 O\n0.861497 0.361497 0.722994 O\n0.638503 0.500000 0.361497 O\n0.361497 0.722994 0.861497 O\n0.861497 0.138503 0.500000 O\n0.861497 0.722994 0.361497 O\n0.138503 0.861497 0.500000 O\n0.138503 0.277006 0.638503 O\n0.138503 0.500000 0.861497 O\n0.861497 0.500000 0.138503 O\n0.500000 0.638503 0.361497 O\n0.500000 0.361497 0.638503 O\n0.277006 0.138503 0.638503 O\n0.722994 0.861497 0.361497 O\n0.500000 0.861497 0.138503 O\n0.500000 0.138503 0.861497 O\n0.722994 0.361497 0.861497 O\n0.277006 0.638503 0.138503 O\n0.745719 0.556384 0.556384 O\n0.254281 0.443616 0.443616 O\n0.254281 0.810665 0.810665 O\n-0.000000 0.443616 0.189335 O\n0.556384 0.556384 0.745719 O\n0.745719 0.189335 0.189335 O\n0.000000 0.556384 0.810665 O\n0.443616 0.443616 0.254281 O\n-0.000000 0.189335 0.443616 O\n0.810665 0.810665 0.254281 O\n0.000000 0.810665 0.556384 O\n0.189335 0.189335 0.745719 O\n0.443616 0.189335 0.000000 O\n0.556384 0.810665 -0.000000 O\n0.189335 0.443616 0.000000 O\n0.810665 0.556384 -0.000000 O\n0.556384 0.745719 0.556384 O\n0.556384 -0.000000 0.810665 O\n0.443616 0.254281 0.443616 O\n0.443616 0.000000 0.189335 O\n0.189335 0.000000 0.443616 O\n0.810665 -0.000000 0.556384 O\n0.189335 0.745719 0.189335 O\n0.810665 0.254281 0.810665 O\n0.814765 0.668480 0.483245 O\n0.185235 0.331520 0.516755 O\n0.185235 0.668480 0.853715 O\n0.814765 0.331520 0.146285 O\n0.668480 0.483245 0.814765 O\n0.814765 0.146285 0.331520 O\n0.331520 0.516755 0.185235 O\n0.185235 0.853715 0.668480 O\n0.668480 0.853715 0.185235 O\n0.185235 0.516755 0.331520 O\n0.331520 0.146285 0.814765 O\n0.814765 0.483245 0.668480 O\n0.483245 0.814765 0.668480 O\n0.668480 0.185235 0.853715 O\n0.516755 0.185235 0.331520 O\n0.331520 0.814765 0.146285 O\n0.146285 0.814765 0.331520 O\n0.331520 0.185235 0.516755 O\n0.853715 0.185235 0.668480 O\n0.668480 0.814765 0.483245 O\n0.146285 0.331520 0.814765 O\n0.853715 0.668480 0.185235 O\n0.516755 0.331520 0.185235 O\n0.483245 0.668480 0.814765 O\n","nsites":152,"nelements":3,"elements":["Na","Si","O"],"chemical_system":"Na-O-Si","density":1.5587548923307726,"density_atomic":0.04650739158828486,"volume":3268.2976793368166,"volume_molar":12.94878202009714,"formula_full":"Na8 Si48 O96","formula_reduced":"Na(SiO2)6","formula_anonymous":"AB6C12","energy":-1207.1060378,"energy_per_atom":-7.941487090789473,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1141.1540378,"band_gap":0.0691999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.8579812,"is_theoretical":true,"updated_at":"2021-11-28T01:39:24.381000Z","spacegroup":229},{"id":"mp-1211323","created_at":"2022-09-04T14:48:28.433438Z","structure_string":"La4 Si6 Rh2\n1.0\n4.173720 -7.229096 0.000000\n4.173720 7.229096 0.000000\n0.000000 0.000000 4.316632\nLa Si Rh\n4 6 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.165892 0.331785 0.000000 Si\n0.668215 0.834108 0.000000 Si\n0.331785 0.165892 0.000000 Si\n0.165892 0.834108 0.000000 Si\n0.834108 0.668215 0.000000 Si\n0.834108 0.165892 0.000000 Si\n0.333333 0.666667 0.000000 Rh\n0.666667 0.333333 0.000000 Rh\n","nsites":12,"nelements":3,"elements":["La","Si","Rh"],"chemical_system":"La-Rh-Si","density":5.928221854325114,"density_atomic":0.04606795372942529,"volume":260.4847628023721,"volume_molar":13.072299228592472,"formula_full":"La4 Si6 Rh2","formula_reduced":"La2Si3Rh","formula_anonymous":"AB2C3","energy":-78.12216965,"energy_per_atom":-6.510180804166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.12216965,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032106,"is_theoretical":true,"updated_at":"2021-11-28T01:39:29.065000Z","spacegroup":191},{"id":"mp-3466","created_at":"2022-09-04T14:48:29.033820Z","structure_string":"Pr2 Al2 O6\n1.0\n4.628569 -2.698434 0.000000\n4.628569 2.698434 0.000000\n3.055395 0.000000 4.401108\nPr Al O\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.297726 0.202274 O\n0.202274 0.750000 0.297726 O\n0.297726 0.202274 0.750000 O\n0.250000 0.702274 0.797726 O\n0.702274 0.797726 0.250000 O\n0.797726 0.250000 0.702274 O\n","nsites":10,"nelements":3,"elements":["Pr","Al","O"],"chemical_system":"Al-O-Pr","density":6.5216246870430385,"density_atomic":0.09095978722407976,"volume":109.93869164804624,"volume_molar":6.620662760747709,"formula_full":"Pr2 Al2 O6","formula_reduced":"PrAlO3","formula_anonymous":"ABC3","energy":-83.32834387,"energy_per_atom":-8.332834387,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.20634387,"band_gap":4.1325,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000344,"is_theoretical":false,"updated_at":"2021-11-28T01:39:23.968000Z","spacegroup":167},{"id":"mp-1219753","created_at":"2022-09-04T14:48:27.820547Z","structure_string":"Pr2 Nd2 Sb8\n1.0\n3.135680 3.131066 0.000000\n-3.135680 3.131066 0.000000\n0.000000 0.094102 18.274057\nPr Nd Sb\n2 2 8\ndirect\n0.864130 0.864130 0.389336 Pr\n0.135870 0.135870 0.610664 Pr\n0.638759 0.638759 0.889489 Nd\n0.361241 0.361241 0.110511 Nd\n0.621666 0.128342 0.750643 Sb\n0.871658 0.378334 0.249357 Sb\n0.378334 0.871658 0.249357 Sb\n0.128342 0.621666 0.750643 Sb\n0.633116 0.633116 0.563151 Sb\n0.366884 0.366884 0.436849 Sb\n0.866365 0.866365 0.063709 Sb\n0.133635 0.133635 0.936291 Sb\n","nsites":12,"nelements":3,"elements":["Pr","Nd","Sb"],"chemical_system":"Nd-Pr-Sb","density":7.146841330749024,"density_atomic":0.03344200572853816,"volume":358.8301520371922,"volume_molar":18.007714037501433,"formula_full":"Pr2 Nd2 Sb8","formula_reduced":"PrNdSb4","formula_anonymous":"ABC4","energy":-63.27727408,"energy_per_atom":-5.273106173333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.74127408,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016682,"is_theoretical":true,"updated_at":"2021-11-28T01:39:27.451000Z","spacegroup":12},{"id":"mp-1198887","created_at":"2022-09-04T14:48:27.818097Z","structure_string":"Cs6 Te26 Mo24\n1.0\n18.176503 -5.253490 0.000000\n18.176503 5.253490 0.000000\n16.658105 0.000000 8.971730\nCs Te Mo\n6 26 24\ndirect\n0.266016 0.266016 0.266016 Cs\n0.733984 0.733984 0.733984 Cs\n0.354987 0.354987 0.354987 Cs\n0.645013 0.645013 0.645013 Cs\n0.443449 0.443449 0.443449 Cs\n0.556551 0.556551 0.556551 Cs\n0.442066 0.183486 0.822282 Te\n0.183486 0.822282 0.442066 Te\n0.822282 0.442066 0.183486 Te\n0.557934 0.816514 0.177718 Te\n0.816514 0.177718 0.557934 Te\n0.177718 0.557934 0.816514 Te\n0.431765 0.819213 0.074050 Te\n0.819213 0.074050 0.431765 Te\n0.074050 0.431765 0.819213 Te\n0.568235 0.180787 0.925950 Te\n0.180787 0.925950 0.568235 Te\n0.925950 0.568235 0.180787 Te\n0.352869 0.105102 0.735201 Te\n0.105102 0.735201 0.352869 Te\n0.735201 0.352869 0.105102 Te\n0.647131 0.894898 0.264799 Te\n0.894898 0.264799 0.647131 Te\n0.264799 0.647131 0.894898 Te\n0.351230 0.734841 0.979352 Te\n0.734841 0.979352 0.351230 Te\n0.979352 0.351230 0.734841 Te\n0.648770 0.265159 0.020648 Te\n0.265159 0.020648 0.648770 Te\n0.020648 0.648770 0.265159 Te\n0.193170 0.193170 0.193170 Te\n0.806830 0.806830 0.806830 Te\n0.305378 0.014422 0.133261 Mo\n0.014422 0.133261 0.305378 Mo\n0.133261 0.305378 0.014422 Mo\n0.694622 0.985578 0.866739 Mo\n0.985578 0.866739 0.694622 Mo\n0.866739 0.694622 0.985578 Mo\n0.248439 0.123253 0.952360 Mo\n0.123253 0.952360 0.248439 Mo\n0.952360 0.248439 0.123253 Mo\n0.751561 0.876747 0.047640 Mo\n0.876747 0.047640 0.751561 Mo\n0.047640 0.751561 0.876747 Mo\n0.219684 0.928908 0.046629 Mo\n0.928908 0.046629 0.219684 Mo\n0.046629 0.219684 0.928908 Mo\n0.780316 0.071092 0.953371 Mo\n0.071092 0.953371 0.780316 Mo\n0.953371 0.780316 0.071092 Mo\n0.157158 0.040903 0.865783 Mo\n0.040903 0.865783 0.157158 Mo\n0.865783 0.157158 0.040903 Mo\n0.842842 0.959097 0.134217 Mo\n0.959097 0.134217 0.842842 Mo\n0.134217 0.842842 0.959097 Mo\n","nsites":56,"nelements":3,"elements":["Cs","Te","Mo"],"chemical_system":"Cs-Mo-Te","density":6.219519239373093,"density_atomic":0.032683126413815676,"volume":1713.4223724792714,"volume_molar":18.425840550720217,"formula_full":"Cs6 Te26 Mo24","formula_reduced":"Cs3Te13Mo12","formula_anonymous":"A3B12C13","energy":-372.93110429,"energy_per_atom":-6.659484005178571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-372.93110429,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1260908,"is_theoretical":false,"updated_at":"2021-11-28T01:39:52.476000Z","spacegroup":148},{"id":"mp-1209343","created_at":"2022-09-04T14:48:28.502875Z","structure_string":"Sr8 In16 Au12\n1.0\n7.684522 -13.309983 0.000000\n7.684522 13.309983 0.000000\n0.000000 0.000000 4.611110\nSr In Au\n8 16 12\ndirect\n0.451316 0.000000 0.000000 Sr\n0.000000 0.451316 0.000000 Sr\n0.548684 0.548684 0.000000 Sr\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.000000 Sr\n0.818869 0.000000 0.500000 Sr\n0.000000 0.818869 0.500000 Sr\n0.181131 0.181131 0.500000 Sr\n0.183672 0.380518 0.000000 In\n0.619482 0.803155 0.000000 In\n0.380518 0.183672 0.000000 In\n0.196845 0.816328 0.000000 In\n0.803155 0.619482 0.000000 In\n0.816328 0.196845 0.000000 In\n0.279826 0.000000 0.500000 In\n0.000000 0.279826 0.500000 In\n0.720174 0.720174 0.500000 In\n0.350561 0.473326 0.500000 In\n0.526674 0.877235 0.500000 In\n0.473326 0.350561 0.500000 In\n0.122765 0.649439 0.500000 In\n0.877235 0.526674 0.500000 In\n0.649439 0.122765 0.500000 In\n0.000000 0.000000 0.000000 In\n0.172809 0.491476 0.500000 Au\n0.508524 0.681333 0.500000 Au\n0.491476 0.172809 0.500000 Au\n0.318667 0.827191 0.500000 Au\n0.681333 0.508524 0.500000 Au\n0.827191 0.318667 0.500000 Au\n0.177487 0.000000 0.000000 Au\n0.000000 0.177487 0.000000 Au\n0.822513 0.822513 0.000000 Au\n0.658207 0.000000 0.000000 Au\n0.000000 0.658207 0.000000 Au\n0.341793 0.341793 0.000000 Au\n","nsites":36,"nelements":3,"elements":["Sr","In","Au"],"chemical_system":"Au-In-Sr","density":8.629016044674932,"density_atomic":0.03816565001476687,"volume":943.2565667313684,"volume_molar":15.778955049029538,"formula_full":"Sr8 In16 Au12","formula_reduced":"Sr2In4Au3","formula_anonymous":"A2B3C4","energy":-116.27005402,"energy_per_atom":-3.229723722777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.27005402,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002015,"is_theoretical":true,"updated_at":"2021-11-28T01:39:21.735000Z","spacegroup":189},{"id":"mp-754678","created_at":"2022-09-04T14:48:30.580968Z","structure_string":"Ba1 Ta1 O3\n1.0\n4.130846 0.000000 0.000000\n0.000000 4.130846 0.000000\n0.000000 0.000000 4.130846\nBa Ta O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ba","Ta","O"],"chemical_system":"Ba-O-Ta","density":8.628535380730046,"density_atomic":0.07093376154391905,"volume":70.48829628052674,"volume_molar":8.489808842678329,"formula_full":"Ba1 Ta1 O3","formula_reduced":"BaTaO3","formula_anonymous":"ABC3","energy":-44.97524097,"energy_per_atom":-8.995048194,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.91424097,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012411,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.305000Z","spacegroup":221},{"id":"mp-569626","created_at":"2022-09-04T14:48:28.585134Z","structure_string":"Mg2 Cl4\n1.0\n2.123746 -3.917877 0.000000\n2.123746 3.917877 0.000000\n0.000000 0.000000 9.554263\nMg Cl\n2 4\ndirect\n0.020244 0.055318 0.250000 Mg\n0.055318 0.020244 0.750000 Mg\n0.357079 0.729677 0.250000 Cl\n0.070841 0.070841 0.500000 Cl\n0.070841 0.070841 0.000000 Cl\n0.729677 0.357079 0.750000 Cl\n","nsites":6,"nelements":2,"elements":["Mg","Cl"],"chemical_system":"Cl-Mg","density":1.988775040330091,"density_atomic":0.03773728845505678,"volume":158.99393532594956,"volume_molar":15.958064308653412,"formula_full":"Mg2 Cl4","formula_reduced":"MgCl2","formula_anonymous":"AB2","energy":-22.99302538,"energy_per_atom":-3.8321708966666663,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.53702538,"band_gap":4.1739,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:39:42.998000Z","spacegroup":40},{"id":"mp-1193092","created_at":"2022-09-04T14:48:27.786484Z","structure_string":"Er2 Be26\n1.0\n0.000000 5.070042 5.070042\n5.070042 0.000000 5.070042\n5.070042 5.070042 0.000000\nEr Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.791177 0.562892 0.208823 Be\n0.208823 0.437108 0.791177 Be\n0.562892 0.791177 0.437108 Be\n0.437108 0.208823 0.562892 Be\n0.291177 0.937108 0.708823 Be\n0.708823 0.062892 0.291177 Be\n0.937108 0.291177 0.062892 Be\n0.062892 0.708823 0.937108 Be\n0.208823 0.791177 0.562892 Be\n0.791177 0.208823 0.437108 Be\n0.437108 0.562892 0.791177 Be\n0.562892 0.437108 0.208823 Be\n0.708823 0.291177 0.937108 Be\n0.291177 0.708823 0.062892 Be\n0.062892 0.937108 0.291177 Be\n0.937108 0.062892 0.708823 Be\n0.562892 0.208823 0.791177 Be\n0.437108 0.791177 0.208823 Be\n0.791177 0.437108 0.562892 Be\n0.208823 0.562892 0.437108 Be\n0.937108 0.708823 0.291177 Be\n0.062892 0.291177 0.708823 Be\n0.291177 0.062892 0.937108 Be\n0.708823 0.937108 0.062892 Be\n","nsites":28,"nelements":2,"elements":["Er","Be"],"chemical_system":"Be-Er","density":3.6238527002926078,"density_atomic":0.10742203233502208,"volume":260.65416368846104,"volume_molar":5.606057369328547,"formula_full":"Er2 Be26","formula_reduced":"ErBe13","formula_anonymous":"AB13","energy":-111.57012109,"energy_per_atom":-3.9846471817857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.57012109,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028393,"is_theoretical":false,"updated_at":"2021-11-28T01:39:11.296000Z","spacegroup":226},{"id":"mp-1074263","created_at":"2022-09-04T14:48:29.593368Z","structure_string":"Mg16 Si12\n1.0\n6.366518 0.000000 0.000000\n1.371726 6.949854 0.000000\n0.388602 0.417176 12.400527\nMg Si\n16 12\ndirect\n0.673513 0.063449 0.066838 Mg\n0.624998 0.581415 0.101759 Mg\n0.099319 0.179441 0.601115 Mg\n0.090197 0.446874 0.800473 Mg\n0.103713 0.057095 0.161656 Mg\n0.082874 0.644326 0.067158 Mg\n0.588935 0.139368 0.567223 Mg\n0.381912 0.744803 0.632111 Mg\n0.293078 0.108112 0.376322 Mg\n0.373213 0.692500 0.300913 Mg\n0.869137 0.125673 0.823068 Mg\n0.847670 0.786947 0.674517 Mg\n0.996708 0.486391 0.315322 Mg\n0.719918 0.198460 0.314706 Mg\n0.538196 0.509217 0.864261 Mg\n0.426311 0.062415 0.792872 Mg\n0.704442 0.834609 0.428997 Si\n0.267862 0.487586 0.486108 Si\n0.352230 0.874896 0.988480 Si\n0.913462 0.323901 0.997579 Si\n0.362273 0.338968 0.186219 Si\n0.782823 0.817887 0.232584 Si\n0.744584 0.428493 0.668268 Si\n0.165322 0.795107 0.834758 Si\n0.655252 0.493716 0.475792 Si\n0.067386 0.855764 0.478402 Si\n0.298545 0.265586 0.992750 Si\n0.757080 0.800164 0.905621 Si\n","nsites":28,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.1969070816671823,"density_atomic":0.05103172356150154,"volume":548.678313133113,"volume_molar":11.800778691596296,"formula_full":"Mg16 Si12","formula_reduced":"Mg4Si3","formula_anonymous":"A3B4","energy":-87.77471621,"energy_per_atom":-3.1348112932142853,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.62671621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008032,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.580000Z","spacegroup":1}]}