{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=67","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=65","results":[{"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-1209233","created_at":"2022-09-04T14:45:30.813858Z","structure_string":"Sc22 Ga20\n1.0\n-5.228870 5.228870 7.676117\n5.228870 -5.228870 7.676117\n5.228870 5.228870 -7.676117\nSc Ga\n22 20\ndirect\n0.167817 0.167817 0.000000 Sc\n0.832183 0.832183 0.000000 Sc\n0.324615 0.324615 0.649230 Sc\n0.675385 0.675385 0.350770 Sc\n0.324615 0.675385 0.000000 Sc\n0.675385 0.324615 0.000000 Sc\n0.434173 0.105398 0.328774 Sc\n0.565827 0.894602 0.671226 Sc\n0.776624 0.105398 0.671226 Sc\n0.105398 0.776624 0.671226 Sc\n0.223376 0.894602 0.328774 Sc\n0.894602 0.223376 0.328774 Sc\n0.105398 0.434173 0.328774 Sc\n0.894602 0.565827 0.671226 Sc\n0.561508 0.314377 0.247131 Sc\n0.438492 0.685623 0.752869 Sc\n0.067247 0.314377 0.752869 Sc\n0.314377 0.067247 0.752869 Sc\n0.932753 0.685623 0.247131 Sc\n0.685623 0.932753 0.247131 Sc\n0.314377 0.561508 0.247131 Sc\n0.685623 0.438492 0.752869 Sc\n0.382722 0.382722 0.412919 Ga\n0.617278 0.617278 0.587081 Ga\n0.969803 0.969803 0.587081 Ga\n0.382722 0.969803 0.000000 Ga\n0.030197 0.617278 0.000000 Ga\n0.030197 0.030197 0.412919 Ga\n0.617278 0.030197 0.000000 Ga\n0.969803 0.382722 0.000000 Ga\n0.391581 0.391581 0.000000 Ga\n0.608419 0.608419 0.000000 Ga\n0.125778 0.125778 0.251555 Ga\n0.874222 0.874222 0.748445 Ga\n0.125778 0.874222 0.000000 Ga\n0.874222 0.125778 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.132883 0.632883 Ga\n0.500000 0.867117 0.367117 Ga\n0.132883 0.500000 0.632883 Ga\n0.867117 0.500000 0.367117 Ga\n","nsites":42,"nelements":2,"elements":["Sc","Ga"],"chemical_system":"Ga-Sc","density":4.714603531860658,"density_atomic":0.050030175265850296,"volume":839.4933612928686,"volume_molar":12.037017116169501,"formula_full":"Sc22 Ga20","formula_reduced":"Sc11Ga10","formula_anonymous":"A10B11","energy":-224.42240682,"energy_per_atom":-5.343390638571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-224.42240682,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0978705,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.844000Z","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-1201140","created_at":"2022-09-04T14:41:49.890693Z","structure_string":"Tb22 Sn20\n1.0\n-5.850779 5.850779 8.597772\n5.850779 -5.850779 8.597772\n5.850779 5.850779 -8.597772\nTb Sn\n22 20\ndirect\n0.811135 0.063014 0.251879 Tb\n0.811135 0.559256 0.748121 Tb\n0.063014 0.811135 0.251879 Tb\n0.559256 0.811135 0.748121 Tb\n0.188865 0.936986 0.748121 Tb\n0.188865 0.440744 0.251879 Tb\n0.936986 0.188865 0.748121 Tb\n0.440744 0.188865 0.251879 Tb\n0.174425 0.174425 0.348851 Tb\n0.825575 0.825575 0.651149 Tb\n0.174425 0.825575 0.000000 Tb\n0.825575 0.174425 0.000000 Tb\n0.663089 0.663089 0.000000 Tb\n0.336911 0.336911 0.000000 Tb\n0.602099 0.931247 0.329147 Tb\n0.602099 0.272952 0.670853 Tb\n0.931247 0.602099 0.329147 Tb\n0.272952 0.602099 0.670853 Tb\n0.397901 0.068753 0.670853 Tb\n0.397901 0.727048 0.329147 Tb\n0.068753 0.397901 0.670853 Tb\n0.727048 0.397901 0.329147 Tb\n0.356640 0.000000 0.356640 Sn\n0.643360 0.000000 0.643360 Sn\n0.000000 0.643360 0.643360 Sn\n0.000000 0.356640 0.356640 Sn\n0.888316 0.888316 0.000000 Sn\n0.111684 0.111684 0.000000 Sn\n0.370573 0.370573 0.741145 Sn\n0.629427 0.629427 0.258855 Sn\n0.370573 0.629427 0.000000 Sn\n0.629427 0.370573 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.883024 0.883024 0.414038 Sn\n0.468986 0.468986 0.585962 Sn\n0.883024 0.468986 0.000000 Sn\n0.468986 0.883024 0.000000 Sn\n0.116976 0.116976 0.585962 Sn\n0.531014 0.531014 0.414038 Sn\n0.116976 0.531014 0.000000 Sn\n0.531014 0.116976 0.000000 Sn\n","nsites":42,"nelements":2,"elements":["Tb","Sn"],"chemical_system":"Sn-Tb","density":8.280473185769727,"density_atomic":0.03567598618878121,"volume":1177.262480643281,"volume_molar":16.880096118810982,"formula_full":"Tb22 Sn20","formula_reduced":"Tb11Sn10","formula_anonymous":"A10B11","energy":-213.48087095,"energy_per_atom":-5.082877879761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.48087095,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.119645,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.945000Z","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-1196279","created_at":"2022-09-04T14:46:05.336478Z","structure_string":"Sc22 Ge20\n1.0\n-5.172450 5.172450 7.687806\n5.172450 -5.172450 7.687806\n5.172450 5.172450 -7.687806\nSc Ge\n22 20\ndirect\n0.810650 0.062591 0.251941 Sc\n0.810650 0.558710 0.748059 Sc\n0.062591 0.810650 0.251941 Sc\n0.558710 0.810650 0.748059 Sc\n0.189350 0.937409 0.748059 Sc\n0.189350 0.441290 0.251941 Sc\n0.937409 0.189350 0.748059 Sc\n0.441290 0.189350 0.251941 Sc\n0.176479 0.176479 0.352958 Sc\n0.823521 0.823521 0.647042 Sc\n0.176479 0.823521 0.000000 Sc\n0.823521 0.176479 0.000000 Sc\n0.661928 0.661928 0.000000 Sc\n0.338072 0.338072 0.000000 Sc\n0.602506 0.929637 0.327131 Sc\n0.602506 0.275374 0.672869 Sc\n0.929637 0.602506 0.327131 Sc\n0.275374 0.602506 0.672869 Sc\n0.397494 0.070363 0.672869 Sc\n0.397494 0.724626 0.327131 Sc\n0.070363 0.397494 0.672869 Sc\n0.724626 0.397494 0.327131 Sc\n0.358775 0.000000 0.358775 Ge\n0.641225 0.000000 0.641225 Ge\n0.000000 0.641225 0.641225 Ge\n0.000000 0.358775 0.358775 Ge\n0.887208 0.887208 0.000000 Ge\n0.112792 0.112792 0.000000 Ge\n0.374467 0.374467 0.748934 Ge\n0.625533 0.625533 0.251066 Ge\n0.374467 0.625533 0.000000 Ge\n0.625533 0.374467 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.885732 0.885732 0.415352 Ge\n0.470380 0.470380 0.584648 Ge\n0.885732 0.470380 0.000000 Ge\n0.470380 0.885732 0.000000 Ge\n0.114268 0.114268 0.584648 Ge\n0.529620 0.529620 0.415352 Ge\n0.114268 0.529620 0.000000 Ge\n0.529620 0.114268 0.000000 Ge\n","nsites":42,"nelements":2,"elements":["Sc","Ge"],"chemical_system":"Ge-Sc","density":4.928440579026533,"density_atomic":0.05104982776503795,"volume":822.7255965154142,"volume_molar":11.796593688263785,"formula_full":"Sc22 Ge20","formula_reduced":"Sc11Ge10","formula_anonymous":"A10B11","energy":-266.28698923,"energy_per_atom":-6.340166410238096,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-266.28698923,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0052163,"is_theoretical":false,"updated_at":"2021-11-28T01:37:21.931000Z","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-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-1196703","created_at":"2022-09-04T14:46:32.035698Z","structure_string":"Er22 Sn20\n1.0\n-5.783684 5.783684 8.463009\n5.783684 -5.783684 8.463009\n5.783684 5.783684 -8.463009\nEr Sn\n22 20\ndirect\n0.811455 0.063628 0.252173 Er\n0.811455 0.559283 0.747827 Er\n0.063628 0.811455 0.252173 Er\n0.559283 0.811455 0.747827 Er\n0.188545 0.936372 0.747827 Er\n0.188545 0.440717 0.252173 Er\n0.936372 0.188545 0.747827 Er\n0.440717 0.188545 0.252173 Er\n0.174783 0.174783 0.349566 Er\n0.825217 0.825217 0.650434 Er\n0.174783 0.825217 0.000000 Er\n0.825217 0.174783 0.000000 Er\n0.664080 0.664080 0.000000 Er\n0.335920 0.335920 0.000000 Er\n0.602213 0.931760 0.329547 Er\n0.602213 0.272665 0.670453 Er\n0.931760 0.602213 0.329547 Er\n0.272665 0.602213 0.670453 Er\n0.397787 0.068240 0.670453 Er\n0.397787 0.727335 0.329547 Er\n0.068240 0.397787 0.670453 Er\n0.727335 0.397787 0.329547 Er\n0.356105 0.000000 0.356105 Sn\n0.643895 0.000000 0.643895 Sn\n0.000000 0.643895 0.643895 Sn\n0.000000 0.356105 0.356105 Sn\n0.887298 0.887298 0.000000 Sn\n0.112702 0.112702 0.000000 Sn\n0.370501 0.370501 0.741001 Sn\n0.629499 0.629499 0.258999 Sn\n0.370501 0.629499 0.000000 Sn\n0.629499 0.370501 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.881950 0.881950 0.412968 Sn\n0.468982 0.468982 0.587032 Sn\n0.881950 0.468982 0.000000 Sn\n0.468982 0.881950 0.000000 Sn\n0.118050 0.118050 0.587032 Sn\n0.531018 0.531018 0.412968 Sn\n0.118050 0.531018 0.000000 Sn\n0.531018 0.118050 0.000000 Sn\n","nsites":42,"nelements":2,"elements":["Er","Sn"],"chemical_system":"Er-Sn","density":8.877491999272754,"density_atomic":0.03708987614628656,"volume":1132.3844769485713,"volume_molar":16.236615987198267,"formula_full":"Er22 Sn20","formula_reduced":"Er11Sn10","formula_anonymous":"A10B11","energy":-210.29970411,"energy_per_atom":-5.007135812142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.29970411,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0056442,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.282000Z","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-542293","created_at":"2022-09-04T14:39:17.372923Z","structure_string":"Ba22 Bi20\n1.0\n-6.738855 6.738855 9.895154\n6.738855 -6.738855 9.895154\n6.738855 6.738855 -9.895154\nBa Bi\n22 20\ndirect\n0.191273 0.441483 0.250210 Ba\n0.441483 0.191273 0.250210 Ba\n0.941063 0.191273 0.749790 Ba\n0.808727 0.058937 0.250210 Ba\n0.808727 0.558517 0.749790 Ba\n0.058937 0.808727 0.250210 Ba\n0.558517 0.808727 0.749790 Ba\n0.191273 0.941063 0.749790 Ba\n0.346216 0.346216 0.000000 Ba\n0.653784 0.653784 0.000000 Ba\n0.272274 0.604439 0.667835 Ba\n0.604439 0.936604 0.332165 Ba\n0.604439 0.272274 0.667835 Ba\n0.727726 0.395561 0.332165 Ba\n0.063396 0.395561 0.667835 Ba\n0.395561 0.063396 0.667835 Ba\n0.395561 0.727726 0.332165 Ba\n0.936604 0.604439 0.332165 Ba\n0.167912 0.167912 0.335825 Ba\n0.167912 0.832088 0.000000 Ba\n0.832088 0.167912 0.000000 Ba\n0.832088 0.832088 0.664175 Ba\n0.250000 0.750000 0.500000 Bi\n0.750000 0.250000 0.500000 Bi\n0.118907 0.118907 0.000000 Bi\n0.881093 0.881093 0.000000 Bi\n0.531460 0.531460 0.420861 Bi\n0.531460 0.110599 0.000000 Bi\n0.110599 0.531460 0.000000 Bi\n0.468540 0.889401 0.000000 Bi\n0.889401 0.468540 0.000000 Bi\n0.889401 0.889401 0.420861 Bi\n0.468540 0.468540 0.579139 Bi\n0.110599 0.110599 0.579139 Bi\n0.000000 0.357272 0.357272 Bi\n0.357272 0.000000 0.357272 Bi\n0.642728 0.000000 0.642728 Bi\n0.000000 0.642728 0.642728 Bi\n0.620103 0.620103 0.240205 Bi\n0.620103 0.379897 0.000000 Bi\n0.379897 0.620103 0.000000 Bi\n0.379897 0.379897 0.759795 Bi\n","nsites":42,"nelements":2,"elements":["Ba","Bi"],"chemical_system":"Ba-Bi","density":6.652351588002693,"density_atomic":0.023366545862472776,"volume":1797.4415323170633,"volume_molar":25.772490274960585,"formula_full":"Ba22 Bi20","formula_reduced":"Ba11Bi10","formula_anonymous":"A10B11","energy":-157.41664358,"energy_per_atom":-3.748015323333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.41664358,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.6261423,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.794000Z","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}]}