{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=85","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=83","results":[{"id":"mp-1208894","created_at":"2022-09-04T14:39:09.853002Z","structure_string":"Sm4 Si10 Pd6\n1.0\n-2.984814 4.993134 5.865881\n2.984814 -4.993134 5.865881\n2.984814 4.993134 -5.865881\nSm Si Pd\n4 10 6\ndirect\n0.637874 0.871086 0.766788 Sm\n0.362126 0.128914 0.233212 Sm\n0.104298 0.371086 0.733212 Sm\n0.895702 0.628914 0.266788 Sm\n0.275050 0.025050 0.750000 Si\n0.724950 0.974950 0.250000 Si\n0.724950 0.474950 0.750000 Si\n0.275050 0.525050 0.250000 Si\n0.462346 0.613742 0.848604 Si\n0.537654 0.386258 0.151396 Si\n0.765138 0.113742 0.651396 Si\n0.234862 0.886258 0.348604 Si\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.247204 0.638026 0.609179 Pd\n0.752796 0.361974 0.390821 Pd\n0.028847 0.138026 0.890821 Pd\n0.971153 0.861974 0.109179 Pd\n0.500000 0.750000 0.250000 Pd\n0.500000 0.250000 0.750000 Pd\n","nsites":20,"nelements":3,"elements":["Sm","Si","Pd"],"chemical_system":"Pd-Si-Sm","density":7.221738372756835,"density_atomic":0.05719344565599937,"volume":349.69041942836816,"volume_molar":10.52942464110536,"formula_full":"Sm4 Si10 Pd6","formula_reduced":"Sm2Si5Pd3","formula_anonymous":"A2B3C5","energy":-120.13020937,"energy_per_atom":-6.0065104685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.84020937,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0083378,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.383000Z","spacegroup":72},{"id":"mp-1179613","created_at":"2022-09-04T14:39:09.870925Z","structure_string":"Sb14\n1.0\n6.609819 0.000000 0.000000\n2.634222 7.451368 0.000000\n1.359766 3.325983 9.803007\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.334535 0.080101 0.771984 Sb\n0.665465 0.919899 0.228016 Sb\n0.976796 0.885690 0.741324 Sb\n0.023204 0.114310 0.258676 Sb\n0.326688 0.754161 0.220238 Sb\n0.673312 0.245839 0.779762 Sb\n0.116340 0.488481 0.696872 Sb\n0.883660 0.511519 0.303128 Sb\n0.661050 0.668317 0.767946 Sb\n0.338950 0.331683 0.232054 Sb\n","nsites":14,"nelements":1,"elements":["Sb"],"chemical_system":"Sb","density":5.862689319284094,"density_atomic":0.028996337323487498,"volume":482.81960041414527,"volume_molar":20.76862568129241,"formula_full":"Sb14","formula_reduced":"Sb","formula_anonymous":"A","energy":-53.13991099,"energy_per_atom":-3.795707927857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.13991099,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009572,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.966000Z","spacegroup":2},{"id":"mp-973456","created_at":"2022-09-04T14:39:09.876611Z","structure_string":"Lu2 Tc1 Au1\n1.0\n0.000000 3.434407 3.434407\n3.434407 0.000000 3.434407\n3.434407 3.434407 0.000000\nLu Tc Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Lu","Tc","Au"],"chemical_system":"Au-Lu-Tc","density":13.217720982852315,"density_atomic":0.04937131715425724,"volume":81.01870135451884,"volume_molar":12.197650593732877,"formula_full":"Lu2 Tc1 Au1","formula_reduced":"Lu2TcAu","formula_anonymous":"ABC2","energy":-24.49597846,"energy_per_atom":-6.123994615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.49597846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.89e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.665000Z","spacegroup":225},{"id":"mp-1190217","created_at":"2022-09-04T14:39:07.662289Z","structure_string":"Mo16\n1.0\n0.000000 -2.630631 0.000000\n0.108516 0.000000 -7.883749\n13.359265 0.000000 2.839927\nMo\n16\ndirect\n0.680222 0.943152 0.581609 Mo\n0.680222 0.056848 0.918391 Mo\n0.319778 0.056848 0.418391 Mo\n0.319778 0.943152 0.081609 Mo\n0.166498 0.825051 0.748431 Mo\n0.166498 0.174949 0.751569 Mo\n0.833502 0.174949 0.251569 Mo\n0.833502 0.825051 0.248431 Mo\n0.938614 0.717554 0.912488 Mo\n0.938614 0.282446 0.587512 Mo\n0.061386 0.282446 0.087512 Mo\n0.061386 0.717554 0.412488 Mo\n0.612436 0.606780 0.084084 Mo\n0.612436 0.393220 0.415916 Mo\n0.387564 0.393220 0.915916 Mo\n0.387564 0.606780 0.584084 Mo\n","nsites":16,"nelements":1,"elements":["Mo"],"chemical_system":"Mo","density":9.173278605225205,"density_atomic":0.057580545143270156,"volume":277.87163112452805,"volume_molar":10.458637974016908,"formula_full":"Mo16","formula_reduced":"Mo","formula_anonymous":"A","energy":-165.8686524,"energy_per_atom":-10.366790775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.8686524,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005094,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.650000Z","spacegroup":13},{"id":"mp-32679","created_at":"2022-09-04T14:39:08.367491Z","structure_string":"Nb10 C7\n1.0\n7.881377 2.751510 0.000000\n-7.881377 2.751510 0.000000\n0.000000 1.862771 5.192487\nNb C\n10 7\ndirect\n0.439167 0.047712 0.731544 Nb\n0.047712 0.439167 0.731544 Nb\n0.952288 0.560833 0.268456 Nb\n0.647183 0.851559 0.758603 Nb\n0.560833 0.952288 0.268456 Nb\n0.263779 0.263779 0.763979 Nb\n0.148441 0.352817 0.241397 Nb\n0.851559 0.647183 0.758603 Nb\n0.736221 0.736221 0.236021 Nb\n0.352817 0.148441 0.241397 Nb\n0.199646 0.800354 0.500000 C\n0.800354 0.199646 0.500000 C\n0.398899 0.601101 0.500000 C\n0.899278 0.100722 0.000000 C\n0.601101 0.398899 0.500000 C\n0.500000 0.500000 0.000000 C\n0.100722 0.899278 0.000000 C\n","nsites":17,"nelements":2,"elements":["Nb","C"],"chemical_system":"C-Nb","density":7.470323188592848,"density_atomic":0.07548667741732322,"volume":225.20530220209056,"volume_molar":7.977753116231337,"formula_full":"Nb10 C7","formula_reduced":"Nb10C7","formula_anonymous":"A7B10","energy":-173.72391161,"energy_per_atom":-10.219053624117647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.72391161,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.78e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.919000Z","spacegroup":12},{"id":"mp-867820","created_at":"2022-09-04T14:39:09.894488Z","structure_string":"Li1 Al1 Pd2\n1.0\n0.000000 3.022749 3.022749\n3.022749 0.000000 3.022749\n3.022749 3.022749 0.000000\nLi Al Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Li","Al","Pd"],"chemical_system":"Al-Li-Pd","density":7.418089567069341,"density_atomic":0.07241420000307451,"volume":55.23778485200652,"volume_molar":8.316242891234477,"formula_full":"Li1 Al1 Pd2","formula_reduced":"LiAlPd2","formula_anonymous":"ABC2","energy":-19.27569667,"energy_per_atom":-4.8189241675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.27569667,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000427,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.881000Z","spacegroup":225},{"id":"mp-1200639","created_at":"2022-09-04T14:39:10.762861Z","structure_string":"Bi16 Se40 Cl56\n1.0\n12.082925 0.000000 0.000000\n0.000000 12.328590 0.000000\n0.000000 0.000000 22.582041\nBi Se Cl\n16 40 56\ndirect\n0.807613 0.325564 0.569791 Bi\n0.692387 0.674436 0.069791 Bi\n0.307613 0.174436 0.430209 Bi\n0.192387 0.825564 0.930209 Bi\n0.475034 0.473680 0.516317 Bi\n0.024966 0.526320 0.016317 Bi\n0.975034 0.026320 0.483683 Bi\n0.524966 0.973680 0.983683 Bi\n0.108866 0.535987 0.481196 Bi\n0.391134 0.464013 0.981196 Bi\n0.608866 0.964013 0.518804 Bi\n0.891134 0.035987 0.018804 Bi\n0.770236 0.662522 0.431485 Bi\n0.729764 0.337478 0.931485 Bi\n0.270236 0.837478 0.568515 Bi\n0.229764 0.162522 0.068515 Bi\n0.095056 0.634939 0.241048 Se\n0.404944 0.365061 0.741048 Se\n0.595056 0.865061 0.758952 Se\n0.904944 0.134939 0.258952 Se\n0.108165 0.778662 0.164157 Se\n0.391835 0.221338 0.664157 Se\n0.608165 0.721338 0.835843 Se\n0.891835 0.278662 0.335843 Se\n0.293291 0.795297 0.156741 Se\n0.206709 0.204703 0.656741 Se\n0.793291 0.704703 0.843259 Se\n0.706709 0.295297 0.343259 Se\n0.327735 0.935385 0.235731 Se\n0.172265 0.064615 0.735731 Se\n0.827735 0.564615 0.764269 Se\n0.672265 0.435385 0.264269 Se\n0.155556 0.917105 0.290233 Se\n0.344444 0.082895 0.790233 Se\n0.655556 0.582895 0.709767 Se\n0.844444 0.417105 0.209767 Se\n0.164618 0.742531 0.324943 Se\n0.335382 0.257469 0.824943 Se\n0.664618 0.757469 0.675057 Se\n0.835382 0.242531 0.175057 Se\n0.256291 0.520575 0.217462 Se\n0.243709 0.479425 0.717462 Se\n0.756291 0.979425 0.782538 Se\n0.743709 0.020575 0.282538 Se\n0.377027 0.558350 0.293359 Se\n0.122973 0.441650 0.793359 Se\n0.877027 0.941650 0.706641 Se\n0.622973 0.058350 0.206641 Se\n0.500000 0.688341 0.249328 Se\n0.000000 0.311659 0.749328 Se\n0.000000 0.811659 0.750672 Se\n0.500000 0.188341 0.250672 Se\n0.457874 0.841573 0.302500 Se\n0.042126 0.158427 0.802500 Se\n0.957874 0.658427 0.697500 Se\n0.542126 0.341573 0.197500 Se\n0.720061 0.318837 0.671401 Cl\n0.779939 0.681163 0.171401 Cl\n0.220061 0.181163 0.328599 Cl\n0.279939 0.818837 0.828599 Cl\n0.967023 0.445192 0.605480 Cl\n0.532977 0.554808 0.105480 Cl\n0.467023 0.054808 0.394520 Cl\n0.032977 0.945192 0.894520 Cl\n0.925745 0.156536 0.602958 Cl\n0.574255 0.843464 0.102958 Cl\n0.425745 0.343464 0.397042 Cl\n0.074255 0.656536 0.897042 Cl\n0.440809 0.529883 0.625816 Cl\n0.059191 0.470117 0.125816 Cl\n0.940809 0.970117 0.374184 Cl\n0.559191 0.029883 0.874184 Cl\n0.555937 0.284943 0.534923 Cl\n0.944063 0.715057 0.034923 Cl\n0.055937 0.215057 0.465077 Cl\n0.444063 0.784943 0.965077 Cl\n0.687022 0.537888 0.548680 Cl\n0.812978 0.462112 0.048680 Cl\n0.187022 0.962112 0.451320 Cl\n0.312978 0.037888 0.951320 Cl\n0.271540 0.372101 0.527966 Cl\n0.228460 0.627899 0.027966 Cl\n0.771540 0.127899 0.472034 Cl\n0.728460 0.872101 0.972034 Cl\n0.131743 0.482942 0.372348 Cl\n0.368257 0.517058 0.872348 Cl\n0.631743 0.017058 0.627652 Cl\n0.868257 0.982942 0.127652 Cl\n0.296956 0.640779 0.464235 Cl\n0.203044 0.359221 0.964235 Cl\n0.796956 0.859221 0.535765 Cl\n0.703044 0.140779 0.035765 Cl\n0.010531 0.720407 0.463277 Cl\n0.489469 0.279593 0.963277 Cl\n0.510531 0.779593 0.536723 Cl\n0.989469 0.220407 0.036723 Cl\n0.885780 0.456915 0.450330 Cl\n0.614220 0.543085 0.950330 Cl\n0.385780 0.043085 0.549670 Cl\n0.114220 0.956915 0.049670 Cl\n0.839707 0.647813 0.326648 Cl\n0.660293 0.352187 0.826648 Cl\n0.339707 0.852187 0.673352 Cl\n0.160293 0.147813 0.173352 Cl\n0.590282 0.562661 0.401904 Cl\n0.909718 0.437339 0.901904 Cl\n0.090282 0.937339 0.598096 Cl\n0.409718 0.062661 0.098096 Cl\n0.663464 0.845074 0.399904 Cl\n0.836536 0.154926 0.899904 Cl\n0.163464 0.654926 0.600096 Cl\n0.336536 0.345074 0.100096 Cl\n","nsites":112,"nelements":3,"elements":["Bi","Se","Cl"],"chemical_system":"Bi-Cl-Se","density":4.189651218609798,"density_atomic":0.03329425806210171,"volume":3363.943410034648,"volume_molar":18.08762564634201,"formula_full":"Bi16 Se40 Cl56","formula_reduced":"Bi2Se5Cl7","formula_anonymous":"A2B5C7","energy":-404.26684842,"energy_per_atom":-3.6095254323214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-369.88284842,"band_gap":1.4358000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.332000Z","spacegroup":19},{"id":"mp-1190339","created_at":"2022-09-04T14:39:07.274603Z","structure_string":"Na6 Ca6 Al2 Sb8\n1.0\n5.056445 -8.758020 0.000000\n5.056445 8.758020 0.000000\n0.000000 0.000000 7.600092\nNa Ca Al Sb\n6 6 2 8\ndirect\n0.855132 0.144868 0.548939 Na\n0.289735 0.144868 0.548939 Na\n0.855132 0.710265 0.548939 Na\n0.144868 0.855132 0.048939 Na\n0.710265 0.855132 0.048939 Na\n0.144868 0.289735 0.048939 Na\n0.479325 0.520675 0.730391 Ca\n0.041350 0.520675 0.730391 Ca\n0.479325 0.958650 0.730391 Ca\n0.520675 0.479325 0.230391 Ca\n0.958650 0.479325 0.230391 Ca\n0.520675 0.041350 0.230391 Ca\n0.666667 0.333333 0.859384 Al\n0.333333 0.666667 0.359384 Al\n0.812335 0.187665 0.963667 Sb\n0.375330 0.187665 0.963667 Sb\n0.812335 0.624670 0.963667 Sb\n0.187665 0.812335 0.463667 Sb\n0.624670 0.812335 0.463667 Sb\n0.187665 0.375330 0.463667 Sb\n0.666667 0.333333 0.496989 Sb\n0.333333 0.666667 0.996989 Sb\n","nsites":22,"nelements":4,"elements":["Na","Ca","Al","Sb"],"chemical_system":"Al-Ca-Na-Sb","density":3.4695506712036877,"density_atomic":0.0326830527843683,"volume":673.1317342094247,"volume_molar":18.425882061054832,"formula_full":"Na6 Ca6 Al2 Sb8","formula_reduced":"Na3Ca3AlSb4","formula_anonymous":"AB3C3D4","energy":-77.61734341,"energy_per_atom":-3.528061064090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.08134341,"band_gap":0.4586000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0027755,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.364000Z","spacegroup":186},{"id":"mp-1208780","created_at":"2022-09-04T14:39:09.882916Z","structure_string":"Tb2 Zr12 P18 O72\n1.0\n4.469543 -7.741475 0.000000\n4.469543 7.741475 0.000000\n0.000000 0.000000 22.987199\nTb Zr P O\n2 12 18 72\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.528236 Zr\n0.666667 0.333333 0.471764 Zr\n0.666667 0.333333 0.971764 Zr\n0.333333 0.666667 0.028236 Zr\n0.000000 0.000000 0.649461 Zr\n0.000000 0.000000 0.350539 Zr\n0.000000 0.000000 0.850539 Zr\n0.000000 0.000000 0.149461 Zr\n0.333333 0.666667 0.813127 Zr\n0.666667 0.333333 0.186873 Zr\n0.666667 0.333333 0.686873 Zr\n0.333333 0.666667 0.313127 Zr\n0.373279 0.318654 0.578940 P\n0.626721 0.681346 0.421060 P\n0.681346 0.054625 0.578940 P\n0.318654 0.373279 0.921060 P\n0.318654 0.945375 0.421060 P\n0.681346 0.626721 0.078940 P\n0.945375 0.626721 0.578940 P\n0.054625 0.681346 0.921060 P\n0.054625 0.373279 0.421060 P\n0.945375 0.318654 0.078940 P\n0.626721 0.945375 0.921060 P\n0.373279 0.054625 0.078940 P\n0.292018 0.000000 0.750000 P\n0.707982 0.000000 0.250000 P\n0.000000 0.292018 0.750000 P\n0.000000 0.707982 0.250000 P\n0.707982 0.707982 0.750000 P\n0.292018 0.292018 0.250000 P\n0.455430 0.282551 0.526301 O\n0.544570 0.717449 0.473699 O\n0.717449 0.172879 0.526301 O\n0.282551 0.455430 0.973699 O\n0.282551 0.827121 0.473699 O\n0.717449 0.544570 0.026301 O\n0.827121 0.544570 0.526301 O\n0.172879 0.717449 0.973699 O\n0.172879 0.455430 0.473699 O\n0.827121 0.282551 0.026301 O\n0.544570 0.827121 0.973699 O\n0.455430 0.172879 0.026301 O\n0.375668 0.491398 0.574152 O\n0.624332 0.508602 0.425848 O\n0.508602 0.884271 0.574152 O\n0.491398 0.375668 0.925848 O\n0.491398 0.115729 0.425848 O\n0.508602 0.624332 0.074152 O\n0.115729 0.624332 0.574152 O\n0.884271 0.508602 0.925848 O\n0.884271 0.375668 0.425848 O\n0.115729 0.491398 0.074152 O\n0.624332 0.115729 0.925848 O\n0.375668 0.884271 0.074152 O\n0.176697 0.168084 0.578641 O\n0.823303 0.831916 0.421359 O\n0.831916 0.008613 0.578641 O\n0.168084 0.176697 0.921359 O\n0.168084 0.991387 0.421359 O\n0.831916 0.823303 0.078641 O\n0.991387 0.823303 0.578641 O\n0.008613 0.831916 0.921359 O\n0.008613 0.176697 0.421359 O\n0.991387 0.168084 0.078641 O\n0.823303 0.991387 0.921359 O\n0.176697 0.008613 0.078641 O\n0.031154 0.205046 0.695946 O\n0.968846 0.794954 0.304054 O\n0.794954 0.826108 0.695946 O\n0.205046 0.031154 0.804054 O\n0.205046 0.173892 0.304054 O\n0.794954 0.968846 0.195946 O\n0.173892 0.968846 0.695946 O\n0.826108 0.794954 0.804054 O\n0.826108 0.031154 0.304054 O\n0.173892 0.205046 0.195946 O\n0.968846 0.173892 0.804054 O\n0.031154 0.826108 0.195946 O\n0.460264 0.313754 0.635762 O\n0.539736 0.686246 0.364238 O\n0.686246 0.146510 0.635762 O\n0.313754 0.460264 0.864238 O\n0.313754 0.853490 0.364238 O\n0.686246 0.539736 0.135762 O\n0.853490 0.539736 0.635762 O\n0.146510 0.686246 0.864238 O\n0.146510 0.460264 0.364238 O\n0.853490 0.313754 0.135762 O\n0.539736 0.853490 0.864238 O\n0.460264 0.146510 0.135762 O\n0.468018 0.158928 0.739788 O\n0.531982 0.841072 0.260212 O\n0.841072 0.309090 0.739788 O\n0.158928 0.468018 0.760212 O\n0.158928 0.690910 0.260212 O\n0.841072 0.531982 0.239788 O\n0.690910 0.531982 0.739788 O\n0.309090 0.841072 0.760212 O\n0.309090 0.468018 0.260212 O\n0.690910 0.158928 0.239788 O\n0.531982 0.690910 0.760212 O\n0.468018 0.309090 0.239788 O\n","nsites":104,"nelements":4,"elements":["Tb","Zr","P","O"],"chemical_system":"O-P-Tb-Zr","density":3.258984831031222,"density_atomic":0.06537782264113526,"volume":1590.7534971127036,"volume_molar":9.211289878918226,"formula_full":"Tb2 Zr12 P18 O72","formula_reduced":"TbZr6(PO4)9","formula_anonymous":"AB6C9D36","energy":-902.51719264,"energy_per_atom":-8.678049929230768,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-853.0531926399999,"band_gap":3.7259,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0493241,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.063000Z","spacegroup":165},{"id":"mp-977343","created_at":"2022-09-04T14:39:09.907632Z","structure_string":"H6 Pt2\n1.0\n1.808727 -3.132807 0.000000\n1.808727 3.132807 0.000000\n0.000000 0.000000 5.233358\nH Pt\n6 2\ndirect\n0.160336 0.320672 0.250000 H\n0.679328 0.839664 0.250000 H\n0.160336 0.839664 0.250000 H\n0.839664 0.679328 0.750000 H\n0.320672 0.160336 0.750000 H\n0.839664 0.160336 0.750000 H\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n","nsites":8,"nelements":2,"elements":["H","Pt"],"chemical_system":"H-Pt","density":11.093372842055546,"density_atomic":0.13488786617531084,"volume":59.308522158713465,"volume_molar":4.464553358841895,"formula_full":"H6 Pt2","formula_reduced":"H3Pt","formula_anonymous":"AB3","energy":-28.48299627,"energy_per_atom":-3.56037453375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.48299627,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002751,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.302000Z","spacegroup":194},{"id":"mp-640054","created_at":"2022-09-04T14:39:07.601121Z","structure_string":"Nd6 In22 Pt13\n1.0\n2.251490 14.342920 0.000000\n-2.251490 14.342920 0.000000\n0.000000 5.768927 13.999434\nNd In Pt\n6 22 13\ndirect\n0.453612 0.453612 0.698809 Nd\n0.837221 0.837221 0.530042 Nd\n0.546388 0.546388 0.301191 Nd\n0.162779 0.162779 0.469958 Nd\n0.821756 0.821756 0.080065 Nd\n0.178244 0.178244 0.919935 Nd\n0.326059 0.326059 0.719690 In\n0.875913 0.875913 0.831063 In\n0.673941 0.673941 0.280310 In\n0.435342 0.435342 0.502404 In\n0.857404 0.857404 0.281919 In\n0.727973 0.727973 0.751724 In\n0.237413 0.237413 0.083813 In\n0.408283 0.408283 0.952524 In\n0.055522 0.055522 0.936244 In\n0.956907 0.956907 0.339734 In\n0.762587 0.762587 0.916187 In\n0.712801 0.712801 0.565298 In\n0.564658 0.564658 0.497596 In\n0.287199 0.287199 0.434702 In\n0.272027 0.272027 0.248276 In\n0.944478 0.944478 0.063756 In\n0.591717 0.591717 0.047476 In\n0.529487 0.529487 0.820980 In\n0.124087 0.124087 0.168937 In\n0.470513 0.470513 0.179020 In\n0.142596 0.142596 0.718081 In\n0.043093 0.043093 0.660266 In\n0.619300 0.619300 0.848514 Pt\n0.901098 0.901098 0.635713 Pt\n0.032793 0.032793 0.139149 Pt\n0.392714 0.392714 0.362952 Pt\n0.098902 0.098902 0.364287 Pt\n0.251659 0.251659 0.636158 Pt\n0.000000 0.000000 0.500000 Pt\n0.320549 0.320549 0.912073 Pt\n0.679451 0.679451 0.087927 Pt\n0.380700 0.380700 0.151486 Pt\n0.967207 0.967207 0.860851 Pt\n0.748341 0.748341 0.363842 Pt\n0.607286 0.607286 0.637048 Pt\n","nsites":41,"nelements":3,"elements":["Nd","In","Pt"],"chemical_system":"In-Nd-Pt","density":10.886180207950371,"density_atomic":0.045345666035488674,"volume":904.1657910132438,"volume_molar":13.280521131362189,"formula_full":"Nd6 In22 Pt13","formula_reduced":"Nd6In22Pt13","formula_anonymous":"A6B13C22","energy":-194.76849715,"energy_per_atom":-4.75045115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.76849715,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002122,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.788000Z","spacegroup":12},{"id":"mp-1073586","created_at":"2022-09-04T14:39:12.903274Z","structure_string":"Mg4 Si8\n1.0\n1.947836 4.606541 0.000000\n-1.947836 4.606541 0.000000\n0.000000 3.341550 11.017901\nMg Si\n4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.824787 0.824787 0.675733 Mg\n0.500000 0.500000 0.000000 Mg\n0.175213 0.175213 0.324267 Mg\n0.493786 0.493786 0.760834 Si\n0.175408 0.175408 0.577028 Si\n0.506214 0.506214 0.239166 Si\n0.168546 0.168546 0.084586 Si\n0.824592 0.824592 0.422972 Si\n0.155839 0.155839 0.834136 Si\n0.831454 0.831454 0.915414 Si\n0.844161 0.844161 0.165864 Si\n","nsites":12,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.703455841778135,"density_atomic":0.0606911065035232,"volume":197.72254439459567,"volume_molar":9.922608281413368,"formula_full":"Mg4 Si8","formula_reduced":"MgSi2","formula_anonymous":"AB2","energy":-46.22080543,"energy_per_atom":-3.8517337858333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.78880543,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010196,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.119000Z","spacegroup":12}]}