{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10199","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10197","results":[{"id":"mp-1206592","created_at":"2022-09-04T14:47:15.496308Z","structure_string":"Dy1 Pd2 Pb1\n1.0\n0.000000 3.449103 3.449103\n3.449103 0.000000 3.449103\n3.449103 3.449103 0.000000\nDy Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n","nsites":4,"nelements":3,"elements":["Dy","Pd","Pb"],"chemical_system":"Dy-Pb-Pd","density":11.787626373830834,"density_atomic":0.048742915696109564,"volume":82.06320739896283,"volume_molar":12.354904654340691,"formula_full":"Dy1 Pd2 Pb1","formula_reduced":"DyPd2Pb","formula_anonymous":"ABC2","energy":-21.48885186,"energy_per_atom":-5.372212965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.48885186,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009021,"is_theoretical":true,"updated_at":"2021-11-28T01:37:57.753000Z","spacegroup":225},{"id":"mp-1147777","created_at":"2022-09-04T14:47:15.499166Z","structure_string":"Ca2 Co1 C1 N2 O2\n1.0\n3.657250 0.000000 0.000000\n0.000000 3.657250 0.000000\n0.000000 0.000000 8.043012\nCa Co C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.705949 Ca\n0.500000 0.500000 0.294051 Ca\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.845031 N\n0.000000 0.000000 0.154969 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n","nsites":8,"nelements":5,"elements":["Ca","Co","C","N","O"],"chemical_system":"C-Ca-Co-N-O","density":3.258623605257972,"density_atomic":0.07436386831935433,"volume":107.57912654091822,"volume_molar":8.098208035840768,"formula_full":"Ca2 Co1 C1 N2 O2","formula_reduced":"Ca2CoC(NO)2","formula_anonymous":"ABC2D2E2","energy":-58.05594413,"energy_per_atom":-7.25699301625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.32194413,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3883964,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.537000Z","spacegroup":123},{"id":"mp-11228","created_at":"2022-09-04T14:47:13.986664Z","structure_string":"Y2 Al2\n1.0\n1.916408 -5.773701 0.000000\n1.916408 5.773701 0.000000\n0.000000 0.000000 4.482586\nY Al\n2 2\ndirect\n0.649738 0.350262 0.750000 Y\n0.350262 0.649738 0.250000 Y\n0.930212 0.069788 0.750000 Al\n0.069788 0.930212 0.250000 Al\n","nsites":4,"nelements":2,"elements":["Y","Al"],"chemical_system":"Al-Y","density":3.879845028133587,"density_atomic":0.04032358167139,"volume":99.1975373764489,"volume_molar":14.934538328158409,"formula_full":"Y2 Al2","formula_reduced":"YAl","formula_anonymous":"AB","energy":-22.09748128,"energy_per_atom":-5.52437032,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.09748128,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.505591,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.971000Z","spacegroup":63},{"id":"mp-1213574","created_at":"2022-09-04T14:47:14.004507Z","structure_string":"Dy8 Bi16 C8\n1.0\n11.551032 0.000000 0.000000\n0.000000 11.551032 0.000000\n0.000000 0.000000 5.659494\nDy Bi C\n8 16 8\ndirect\n0.162674 0.662674 0.250000 Dy\n0.837326 0.337326 0.750000 Dy\n0.837326 0.337326 0.250000 Dy\n0.337326 0.162674 0.750000 Dy\n0.162674 0.662674 0.750000 Dy\n0.662674 0.837326 0.250000 Dy\n0.662674 0.837326 0.750000 Dy\n0.337326 0.162674 0.250000 Dy\n0.109447 0.390527 0.000000 Bi\n0.890553 0.609473 0.000000 Bi\n0.609473 0.109447 0.500000 Bi\n0.390553 0.890527 0.000000 Bi\n0.390527 0.890553 0.500000 Bi\n0.609447 0.109473 0.000000 Bi\n0.890527 0.609447 0.500000 Bi\n0.109473 0.390553 0.500000 Bi\n0.937689 0.123276 0.000000 Bi\n0.062311 0.876724 0.000000 Bi\n0.876724 0.937689 0.500000 Bi\n0.562311 0.623276 0.000000 Bi\n0.123276 0.062311 0.500000 Bi\n0.437689 0.376724 0.000000 Bi\n0.623276 0.437689 0.500000 Bi\n0.376724 0.562311 0.500000 Bi\n0.354073 0.573318 0.000000 C\n0.645927 0.426682 0.000000 C\n0.426682 0.354073 0.500000 C\n0.145927 0.073318 0.000000 C\n0.573318 0.645927 0.500000 C\n0.854073 0.926682 0.000000 C\n0.073318 0.854073 0.500000 C\n0.926682 0.145927 0.500000 C\n","nsites":32,"nelements":3,"elements":["Dy","Bi","C"],"chemical_system":"Bi-C-Dy","density":10.422871192323393,"density_atomic":0.04237705777591785,"volume":755.1255721718616,"volume_molar":14.210851522170278,"formula_full":"Dy8 Bi16 C8","formula_reduced":"DyBi2C","formula_anonymous":"ABC2","energy":-147.81535652,"energy_per_atom":-4.61922989125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.81535652,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000975,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.932000Z","spacegroup":135},{"id":"mp-1111034","created_at":"2022-09-04T14:47:14.008413Z","structure_string":"Rb2 Cu1 Au1 F6\n1.0\n0.000000 4.317577 4.317577\n4.317577 0.000000 4.317577\n4.317577 4.317577 0.000000\nRb Cu Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.734446 0.265554 0.265554 F\n0.265554 0.265554 0.734446 F\n0.265554 0.734446 0.734446 F\n0.265554 0.734446 0.265554 F\n0.734446 0.265554 0.734446 F\n0.734446 0.734446 0.265554 F\n","nsites":10,"nelements":4,"elements":["Rb","Cu","Au","F"],"chemical_system":"Au-Cu-F-Rb","density":5.626582445671934,"density_atomic":0.06212261514006876,"volume":160.97197417482917,"volume_molar":9.69395886895906,"formula_full":"Rb2 Cu1 Au1 F6","formula_reduced":"Rb2CuAuF6","formula_anonymous":"ABC2D6","energy":-42.0761242,"energy_per_atom":-4.20761242,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.3041242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0069967,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.167000Z","spacegroup":225},{"id":"mp-1194313","created_at":"2022-09-04T14:47:14.162395Z","structure_string":"Hf2 Ni21 B6\n1.0\n0.000000 5.290032 5.290032\n5.290032 0.000000 5.290032\n5.290032 5.290032 0.000000\nHf Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.750000 Hf\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ni\n0.613955 0.613955 0.158134 Ni\n0.613955 0.158134 0.613955 Ni\n0.158134 0.613955 0.613955 Ni\n0.613955 0.613955 0.613955 Ni\n0.386045 0.386045 0.841866 Ni\n0.386045 0.841866 0.386045 Ni\n0.841866 0.386045 0.386045 Ni\n0.386045 0.386045 0.386045 Ni\n0.000000 0.000000 0.339468 Ni\n0.660532 0.000000 0.339468 Ni\n0.000000 0.660532 0.339468 Ni\n0.660532 0.339468 0.000000 Ni\n0.000000 0.339468 0.000000 Ni\n0.000000 0.339468 0.660532 Ni\n0.339468 0.660532 0.000000 Ni\n0.339468 0.000000 0.660532 Ni\n0.339468 0.000000 0.000000 Ni\n0.000000 0.000000 0.660532 Ni\n0.000000 0.660532 0.000000 Ni\n0.660532 0.000000 0.000000 Ni\n0.732516 0.732516 0.267484 B\n0.267484 0.732516 0.267484 B\n0.732516 0.267484 0.267484 B\n0.267484 0.267484 0.732516 B\n0.732516 0.267484 0.732516 B\n0.267484 0.732516 0.732516 B\n","nsites":29,"nelements":3,"elements":["Hf","Ni","B"],"chemical_system":"B-Hf-Ni","density":9.27869006669979,"density_atomic":0.09794744344182155,"volume":296.0771509797018,"volume_molar":6.148338893170814,"formula_full":"Hf2 Ni21 B6","formula_reduced":"Hf2(Ni7B2)3","formula_anonymous":"A2B6C21","energy":-194.56056321,"energy_per_atom":-6.708984938275862,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.56056321,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3521666,"is_theoretical":false,"updated_at":"2021-11-28T01:37:58.916000Z","spacegroup":225},{"id":"mp-1093638","created_at":"2022-09-04T14:47:14.322011Z","structure_string":"Zr2 Tc1 Mo1\n1.0\n-4.717041 5.613669 8.003516\n4.717041 -5.613669 8.003516\n4.717041 5.613669 -8.003516\nZr Tc Mo\n2 1 1\ndirect\n0.000000 0.254761 0.254761 Zr\n0.000000 0.745239 0.745239 Zr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Mo\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Mo"],"chemical_system":"Mo-Tc-Zr","density":0.7372717692086417,"density_atomic":0.00471848664046997,"volume":847.7294320794332,"volume_molar":127.62864915943014,"formula_full":"Zr2 Tc1 Mo1","formula_reduced":"Zr2TcMo","formula_anonymous":"ABC2","energy":-23.00442292,"energy_per_atom":-5.75110573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.00442292,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3366926,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.567000Z","spacegroup":71},{"id":"mp-581665","created_at":"2022-09-04T14:47:16.231031Z","structure_string":"Ca2 In4\n1.0\n2.733717 -4.734937 0.000000\n2.733717 4.734937 0.000000\n0.000000 0.000000 7.829747\nCa In\n2 4\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.554078 In\n0.333333 0.666667 0.445922 In\n0.333333 0.666667 0.054078 In\n0.666667 0.333333 0.945922 In\n","nsites":6,"nelements":2,"elements":["Ca","In"],"chemical_system":"Ca-In","density":4.419133278640548,"density_atomic":0.02960095803373623,"volume":202.69614223843013,"volume_molar":20.344411667813464,"formula_full":"Ca2 In4","formula_reduced":"CaIn2","formula_anonymous":"AB2","energy":-15.064301240000002,"energy_per_atom":-2.5107168733333336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.064301240000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011268,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.415000Z","spacegroup":194},{"id":"mp-1247577","created_at":"2022-09-04T14:47:13.948618Z","structure_string":"Sr4 Ca28 Ti4 Mn28 O88\n1.0\n10.916344 -0.006803 -0.082971\n-0.008357 15.626199 -0.025841\n-0.080999 -0.018744 10.880479\nSr Ca Ti Mn O\n4 28 4 28 88\ndirect\n0.998883 0.111354 0.503830 Sr\n0.501428 0.387500 0.998631 Sr\n0.242840 0.388077 0.256113 Sr\n0.230982 0.119524 0.250694 Sr\n0.988926 0.114819 0.008861 Ca\n0.017161 0.627431 0.499363 Ca\n0.016453 0.626220 0.994723 Ca\n0.539447 0.127284 0.480984 Ca\n0.549090 0.123963 0.984036 Ca\n0.522176 0.625306 0.499449 Ca\n0.522078 0.624022 0.998733 Ca\n0.495076 0.394566 0.500338 Ca\n0.494835 0.856103 0.003683 Ca\n0.495954 0.855660 0.497115 Ca\n0.966272 0.389005 0.998372 Ca\n0.964461 0.391781 0.502727 Ca\n0.967704 0.865305 0.004414 Ca\n0.969080 0.869848 0.515596 Ca\n0.234637 0.400798 0.746910 Ca\n0.229036 0.860140 0.260097 Ca\n0.226163 0.867923 0.747953 Ca\n0.739856 0.393925 0.250936 Ca\n0.734506 0.389079 0.750649 Ca\n0.733548 0.860151 0.250861 Ca\n0.738913 0.860696 0.749898 Ca\n0.222669 0.108644 0.727703 Ca\n0.271264 0.627335 0.260047 Ca\n0.271169 0.629108 0.756916 Ca\n0.773394 0.114790 0.245780 Ca\n0.782477 0.121776 0.756181 Ca\n0.766942 0.626253 0.253694 Ca\n0.768937 0.624929 0.755720 Ca\n0.987683 0.983380 0.260706 Ti\n0.230809 0.988741 0.013052 Ti\n0.263259 0.232949 0.934834 Ti\n0.980867 0.255987 0.273884 Ti\n0.993052 0.992197 0.756726 Mn\n0.001963 0.504100 0.249555 Mn\n0.000319 0.504121 0.749519 Mn\n0.506831 0.989757 0.232388 Mn\n0.508245 0.983547 0.735858 Mn\n0.499521 0.506924 0.250276 Mn\n0.497663 0.505656 0.750683 Mn\n0.244628 0.992820 0.510577 Mn\n0.249205 0.510675 0.004590 Mn\n0.250176 0.505781 0.504598 Mn\n0.746770 0.994382 0.991458 Mn\n0.739427 0.997493 0.498840 Mn\n0.750943 0.504762 0.001675 Mn\n0.748413 0.505470 0.501603 Mn\n0.269909 0.245291 0.471822 Mn\n0.250024 0.749958 0.005235 Mn\n0.251622 0.749558 0.505906 Mn\n0.757607 0.250569 0.003059 Mn\n0.745858 0.252566 0.506238 Mn\n0.750139 0.746105 0.001091 Mn\n0.750560 0.746982 0.502476 Mn\n0.992019 0.258058 0.757296 Mn\n0.000480 0.744772 0.251864 Mn\n0.002517 0.748057 0.753294 Mn\n0.527592 0.257848 0.257508 Mn\n0.516372 0.253647 0.749187 Mn\n0.499480 0.747003 0.253272 Mn\n0.499665 0.746558 0.754244 Mn\n0.109680 0.776800 0.106637 O\n0.108659 0.773954 0.606580 O\n0.591212 0.250943 0.097766 O\n0.582888 0.258368 0.581721 O\n0.611399 0.763925 0.113295 O\n0.609218 0.765905 0.616443 O\n0.405790 0.208409 0.353644 O\n0.397621 0.182791 0.854347 O\n0.395060 0.728726 0.399499 O\n0.396794 0.728690 0.901989 O\n0.902526 0.243079 0.417695 O\n0.914023 0.241403 0.921970 O\n0.893714 0.729110 0.392667 O\n0.894587 0.729922 0.894161 O\n0.146226 0.249124 0.330195 O\n0.173936 0.251372 0.790964 O\n0.148741 0.733524 0.354450 O\n0.149052 0.733008 0.855496 O\n0.662174 0.218318 0.350100 O\n0.659803 0.226286 0.856756 O\n0.642038 0.728486 0.359122 O\n0.643636 0.725637 0.859367 O\n0.357435 0.774037 0.146000 O\n0.357106 0.771146 0.649921 O\n0.853894 0.273429 0.154624 O\n0.847618 0.277912 0.651527 O\n0.859377 0.768430 0.142956 O\n0.861696 0.769191 0.643463 O\n0.360683 0.490036 0.139500 O\n0.354248 0.495439 0.645976 O\n0.358313 0.015034 0.130212 O\n0.348678 0.991490 0.666688 O\n0.861786 0.483423 0.141368 O\n0.858001 0.482208 0.643079 O\n0.854909 0.977292 0.142589 O\n0.847077 0.977418 0.644228 O\n0.138956 0.003938 0.364497 O\n0.147845 0.020020 0.869992 O\n0.145133 0.520753 0.355682 O\n0.146798 0.519515 0.854871 O\n0.630173 0.028922 0.347909 O\n0.633647 0.027560 0.842076 O\n0.642505 0.522653 0.359563 O\n0.641067 0.517975 0.859593 O\n0.391916 0.518512 0.396103 O\n0.389818 0.517644 0.893692 O\n0.880039 0.009689 0.388241 O\n0.890766 0.013604 0.893859 O\n0.894647 0.519688 0.393109 O\n0.894835 0.518042 0.892572 O\n0.107595 0.478978 0.104541 O\n0.105651 0.480433 0.606075 O\n0.104237 0.974794 0.115750 O\n0.099938 0.982239 0.622267 O\n0.616732 0.490005 0.116589 O\n0.609000 0.488077 0.612049 O\n0.599950 0.988928 0.080692 O\n0.583859 0.990978 0.579343 O\n0.002888 0.380423 0.283210 O\n0.014453 0.379660 0.785835 O\n0.999939 0.868524 0.292241 O\n0.007759 0.869549 0.793744 O\n0.500264 0.379084 0.277425 O\n0.488757 0.378400 0.766920 O\n0.505556 0.870870 0.284129 O\n0.513601 0.870180 0.794424 O\n0.487797 0.626483 0.212967 O\n0.489555 0.627718 0.713991 O\n0.992240 0.130778 0.227793 O\n0.998510 0.135098 0.726310 O\n0.991501 0.625521 0.208892 O\n0.991027 0.625096 0.713201 O\n0.202533 0.150418 0.032459 O\n0.248746 0.122866 0.520219 O\n0.233631 0.633773 0.044362 O\n0.234334 0.629596 0.540660 O\n0.758891 0.123646 0.032700 O\n0.749081 0.123534 0.541034 O\n0.746652 0.624964 0.037198 O\n0.744469 0.626236 0.540337 O\n0.276866 0.367258 0.497966 O\n0.283087 0.334216 0.009691 O\n0.280493 0.878265 0.467654 O\n0.275566 0.882210 0.964704 O\n0.745244 0.379092 0.465829 O\n0.748478 0.376610 0.968532 O\n0.744914 0.872549 0.465610 O\n0.748939 0.870856 0.963332 O\n","nsites":152,"nelements":5,"elements":["Sr","Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Sr-Ti","density":4.125056069368553,"density_atomic":0.08190133328529219,"volume":1855.8916430643274,"volume_molar":7.352921519632274,"formula_full":"Sr4 Ca28 Ti4 Mn28 O88","formula_reduced":"SrCa7TiMn7O22","formula_anonymous":"ABC7D7E22","energy":-1188.08221539,"energy_per_atom":-7.816330364407896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1080.92221539,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":100.0003971,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.398000Z","spacegroup":1},{"id":"mp-972217","created_at":"2022-09-04T14:47:13.954809Z","structure_string":"Ti2 Cu1 Tc1\n1.0\n0.000000 3.089415 3.089415\n3.089415 0.000000 3.089415\n3.089415 3.089415 0.000000\nTi Cu Tc\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Tc\n","nsites":4,"nelements":3,"elements":["Ti","Cu","Tc"],"chemical_system":"Cu-Tc-Ti","density":7.244299155730382,"density_atomic":0.06782678675129634,"volume":58.97375051345109,"volume_molar":8.878705668428118,"formula_full":"Ti2 Cu1 Tc1","formula_reduced":"Ti2CuTc","formula_anonymous":"ABC2","energy":-31.48833911,"energy_per_atom":-7.8720847775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.48833911,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007643,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.062000Z","spacegroup":225},{"id":"mp-1183197","created_at":"2022-09-04T14:47:14.162176Z","structure_string":"Ac1 Sn1 Hg2\n1.0\n0.000000 3.861451 3.861451\n3.861451 0.000000 3.861451\n3.861451 3.861451 0.000000\nAc Sn Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Ac","Sn","Hg"],"chemical_system":"Ac-Hg-Sn","density":10.770209766188444,"density_atomic":0.03473588841683655,"volume":115.15467668479705,"volume_molar":17.33694180420345,"formula_full":"Ac1 Sn1 Hg2","formula_reduced":"AcSnHg2","formula_anonymous":"ABC2","energy":-10.41129725,"energy_per_atom":-2.6028243125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.41129725,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010664,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.563000Z","spacegroup":225},{"id":"mp-1186574","created_at":"2022-09-04T14:47:14.263235Z","structure_string":"Pm1 Ga1 Pd2\n1.0\n0.000000 3.376622 3.376622\n3.376622 0.000000 3.376622\n3.376622 3.376622 0.000000\nPm Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Pm","Ga","Pd"],"chemical_system":"Ga-Pd-Pm","density":9.220869597380972,"density_atomic":0.051949653888874854,"volume":76.99762559643558,"volume_molar":11.59226348818785,"formula_full":"Pm1 Ga1 Pd2","formula_reduced":"PmGaPd2","formula_anonymous":"ABC2","energy":-20.99277739,"energy_per_atom":-5.2481943475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.99277739,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002421,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.771000Z","spacegroup":225}]}