{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=12151","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=12149","results":[{"id":"mp-20112","created_at":"2022-09-04T14:39:06.640549Z","structure_string":"Ni6 Sn2\n1.0\n2.652379 -4.594055 0.000000\n2.652379 4.594055 0.000000\n0.000000 0.000000 4.241633\nNi Sn\n6 2\ndirect\n0.840383 0.680767 0.250000 Ni\n0.159617 0.840383 0.750000 Ni\n0.680767 0.840383 0.750000 Ni\n0.319233 0.159617 0.250000 Ni\n0.840383 0.159617 0.250000 Ni\n0.159617 0.319233 0.750000 Ni\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n","nsites":8,"nelements":2,"elements":["Ni","Sn"],"chemical_system":"Ni-Sn","density":9.471031454649223,"density_atomic":0.0773918326755714,"volume":103.37008083961794,"volume_molar":7.781364714859479,"formula_full":"Ni6 Sn2","formula_reduced":"Ni3Sn","formula_anonymous":"AB3","energy":-44.18159667,"energy_per_atom":-5.52269958375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.18159667,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063988,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.193000Z","spacegroup":194},{"id":"mp-722397","created_at":"2022-09-04T14:39:06.639401Z","structure_string":"Mg2 P4 H24 O22\n1.0\n-7.793480 0.000000 0.000000\n2.316962 7.548548 0.000000\n-0.827701 -3.469686 -8.586214\nMg P H O\n2 4 24 22\ndirect\n0.357925 0.231944 0.711122 Mg\n0.642075 0.768056 0.288878 Mg\n0.415714 0.097737 0.319998 P\n0.584286 0.902263 0.680002 P\n0.269843 0.435326 0.085995 P\n0.730157 0.564674 0.914005 P\n0.186237 0.013471 0.168039 H\n0.813763 0.986529 0.831961 H\n0.490650 0.320982 0.214632 H\n0.509350 0.679018 0.785368 H\n0.322686 0.736759 0.138452 H\n0.677314 0.263241 0.861548 H\n0.000042 0.267391 0.127636 H\n0.999958 0.732609 0.872364 H\n0.184885 0.440025 0.616608 H\n0.815115 0.559975 0.383392 H\n0.095884 0.414096 0.767957 H\n0.904116 0.585904 0.232043 H\n0.031204 0.961479 0.627614 H\n0.968796 0.038521 0.372386 H\n0.164376 0.833832 0.581355 H\n0.835624 0.166168 0.418645 H\n0.140952 0.500051 0.407639 H\n0.859048 0.499949 0.592361 H\n0.324545 0.631637 0.493940 H\n0.675455 0.368363 0.506060 H\n0.242537 0.895723 0.926566 H\n0.757463 0.104277 0.073434 H\n0.204621 0.977658 0.936620 H\n0.795379 0.022342 0.063380 H\n0.449743 0.222224 0.490396 O\n0.550257 0.777776 0.509604 O\n0.458034 0.906802 0.266646 O\n0.541966 0.093198 0.733354 O\n0.205515 0.057395 0.280610 O\n0.794485 0.942605 0.719390 O\n0.521458 0.203911 0.211501 O\n0.478542 0.796089 0.788499 O\n0.254981 0.271694 0.931796 O\n0.745019 0.728306 0.068204 O\n0.434261 0.499427 0.191744 O\n0.565739 0.500573 0.808256 O\n0.240603 0.613777 0.063183 O\n0.759397 0.386223 0.936817 O\n0.099993 0.372253 0.188714 O\n0.900007 0.627747 0.811286 O\n0.170071 0.361828 0.681990 O\n0.829929 0.638172 0.318010 O\n0.158728 0.966875 0.615760 O\n0.841272 0.033125 0.384240 O\n0.194978 0.582055 0.511866 O\n0.805022 0.417945 0.488134 O\n","nsites":52,"nelements":4,"elements":["Mg","P","H","O"],"chemical_system":"H-Mg-O-P","density":1.803738514483157,"density_atomic":0.10294536289828395,"volume":505.12231475038897,"volume_molar":5.849841693161282,"formula_full":"Mg2 P4 H24 O22","formula_reduced":"MgP2H12O11","formula_anonymous":"AB2C11D12","energy":-303.80980968,"energy_per_atom":-5.84249634,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-288.69580968,"band_gap":5.4433,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00193,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.131000Z","spacegroup":2},{"id":"mp-651231","created_at":"2022-09-04T14:39:06.638852Z","structure_string":"Te8 Ru16 C44 O44\n1.0\n6.990378 0.000000 0.000000\n0.000000 16.510067 0.000000\n0.000000 0.000000 18.164508\nTe Ru C O\n8 16 44 44\ndirect\n0.995087 0.292108 0.735488 Te\n0.504913 0.292108 0.235488 Te\n0.004913 0.707892 0.264512 Te\n0.504913 0.207892 0.735488 Te\n0.495087 0.792108 0.264512 Te\n0.495087 0.707892 0.764512 Te\n0.004913 0.792108 0.764512 Te\n0.995087 0.207892 0.235488 Te\n0.173372 0.669532 0.849436 Ru\n0.671063 0.334823 0.811096 Ru\n0.173372 0.830468 0.349436 Ru\n0.328937 0.834823 0.688904 Ru\n0.826628 0.330468 0.150564 Ru\n0.328937 0.665177 0.188904 Ru\n0.828937 0.334823 0.311096 Ru\n0.826628 0.169532 0.650564 Ru\n0.673372 0.330468 0.650564 Ru\n0.171063 0.834823 0.188904 Ru\n0.326628 0.830468 0.849436 Ru\n0.828937 0.165177 0.811096 Ru\n0.171063 0.665177 0.688904 Ru\n0.673372 0.169532 0.150564 Ru\n0.671063 0.165177 0.311096 Ru\n0.326628 0.669532 0.349436 Ru\n0.560211 0.860704 0.893411 C\n0.088410 0.929658 0.241127 C\n0.439789 0.139296 0.106589 C\n0.411590 0.570342 0.241127 C\n0.205521 0.919078 0.895154 C\n0.705521 0.080922 0.604846 C\n0.173337 0.887091 0.617691 C\n0.467895 0.169079 0.380144 C\n0.826663 0.387091 0.882309 C\n0.750000 0.250000 0.067931 C\n0.911590 0.070342 0.758873 C\n0.060211 0.139296 0.606589 C\n0.939789 0.639296 0.893411 C\n0.588410 0.429658 0.758873 C\n0.205521 0.580922 0.395154 C\n0.326663 0.612909 0.617691 C\n0.673337 0.387091 0.382309 C\n0.032105 0.169079 0.880144 C\n0.088410 0.570342 0.741127 C\n0.294479 0.919078 0.395154 C\n0.560211 0.639296 0.393411 C\n0.532105 0.830921 0.619856 C\n0.826663 0.112909 0.382309 C\n0.939789 0.860704 0.393411 C\n0.032105 0.330921 0.380144 C\n0.173337 0.612909 0.117691 C\n0.467895 0.330921 0.880144 C\n0.588410 0.070342 0.258873 C\n0.750000 0.250000 0.567931 C\n0.294479 0.580922 0.895154 C\n0.794479 0.419078 0.604846 C\n0.673337 0.112909 0.882309 C\n0.411590 0.929658 0.741127 C\n0.326663 0.887091 0.117691 C\n0.911590 0.429658 0.258873 C\n0.967895 0.669079 0.619856 C\n0.250000 0.750000 0.432069 C\n0.250000 0.750000 0.932069 C\n0.705521 0.419078 0.104846 C\n0.794479 0.080922 0.104846 C\n0.967895 0.830921 0.119856 C\n0.439789 0.360704 0.606589 C\n0.060211 0.360704 0.106589 C\n0.532105 0.669079 0.119856 C\n0.131617 0.973831 0.923540 O\n0.250000 0.750000 0.497282 O\n0.421758 0.919382 0.074410 O\n0.750000 0.250000 0.002718 O\n0.295468 0.378972 0.579415 O\n0.652233 0.828512 0.575935 O\n0.204532 0.378972 0.079415 O\n0.473457 0.505322 0.251168 O\n0.526543 0.005322 0.248832 O\n0.152233 0.328512 0.424065 O\n0.250000 0.750000 0.997282 O\n0.578242 0.419382 0.425590 O\n0.868383 0.473831 0.576460 O\n0.078242 0.580618 0.074410 O\n0.795468 0.878972 0.420585 O\n0.921758 0.419382 0.925590 O\n0.750000 0.250000 0.502718 O\n0.704532 0.878972 0.920585 O\n0.578242 0.080618 0.925590 O\n0.368383 0.526169 0.923540 O\n0.973457 0.005322 0.748832 O\n0.131617 0.526169 0.423540 O\n0.526543 0.494678 0.748832 O\n0.347767 0.328512 0.924065 O\n0.631617 0.026169 0.576460 O\n0.295468 0.121028 0.079415 O\n0.847767 0.671488 0.575935 O\n0.631617 0.473831 0.076460 O\n0.868383 0.026169 0.076460 O\n0.368383 0.973831 0.423540 O\n0.847767 0.828512 0.075935 O\n0.421758 0.580618 0.574410 O\n0.704532 0.621028 0.420585 O\n0.795468 0.621028 0.920585 O\n0.973457 0.494678 0.248832 O\n0.473457 0.994678 0.751168 O\n0.078242 0.919382 0.574410 O\n0.347767 0.171488 0.424065 O\n0.026543 0.505322 0.751168 O\n0.026543 0.994678 0.251168 O\n0.152233 0.171488 0.924065 O\n0.921758 0.080618 0.425590 O\n0.204532 0.121028 0.579415 O\n0.652233 0.671488 0.075935 O\n","nsites":112,"nelements":4,"elements":["Te","Ru","C","O"],"chemical_system":"C-O-Ru-Te","density":3.065687043464316,"density_atomic":0.05342504384656409,"volume":2096.395097431502,"volume_molar":11.272130683309305,"formula_full":"Te8 Ru16 C44 O44","formula_reduced":"Te2Ru4(CO)11","formula_anonymous":"A2B4C11D11","energy":-903.84223508,"energy_per_atom":-8.070019956071429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-870.23823508,"band_gap":1.6783,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0394667,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.069000Z","spacegroup":56},{"id":"mp-1195871","created_at":"2022-09-04T14:39:06.638102Z","structure_string":"V4 H24 S4 O32\n1.0\n7.497156 0.000000 0.000000\n0.000000 7.475835 0.000000\n0.000000 4.001889 11.612376\nV H S O\n4 24 4 32\ndirect\n0.782288 0.694035 0.374149 V\n0.717712 0.694035 0.874149 V\n0.217712 0.305965 0.625851 V\n0.282288 0.305965 0.125851 V\n0.657722 0.821727 0.558002 H\n0.842278 0.821727 0.058002 H\n0.342278 0.178273 0.441998 H\n0.157722 0.178273 0.941998 H\n0.484527 0.810872 0.486326 H\n0.015473 0.810872 0.986326 H\n0.515473 0.189128 0.513674 H\n0.984527 0.189128 0.013674 H\n0.495403 0.481861 0.371173 H\n0.004597 0.481861 0.871173 H\n0.504597 0.518139 0.628827 H\n0.995403 0.518139 0.128827 H\n0.014490 0.658600 0.753368 H\n0.485510 0.658600 0.253368 H\n0.985510 0.341400 0.246632 H\n0.514490 0.341400 0.746632 H\n0.726839 0.019710 0.207733 H\n0.773161 0.019710 0.707733 H\n0.273161 0.980290 0.792267 H\n0.226839 0.980290 0.292267 H\n0.752503 0.063879 0.326045 H\n0.747497 0.063879 0.826045 H\n0.247497 0.936121 0.673955 H\n0.252503 0.936121 0.173955 H\n0.858849 0.241394 0.487298 S\n0.641151 0.241394 0.987298 S\n0.141151 0.758606 0.512702 S\n0.358849 0.758606 0.012702 S\n0.908619 0.674192 0.271559 O\n0.591381 0.674192 0.771559 O\n0.091381 0.325808 0.728441 O\n0.408619 0.325808 0.228441 O\n0.599059 0.746031 0.516289 O\n0.900941 0.746031 0.016289 O\n0.400941 0.253969 0.483711 O\n0.099059 0.253969 0.983711 O\n0.540043 0.611446 0.331351 O\n0.959957 0.611446 0.831351 O\n0.459957 0.388554 0.668649 O\n0.040043 0.388554 0.168649 O\n0.702223 0.970218 0.292284 O\n0.797777 0.970218 0.792284 O\n0.297777 0.029782 0.707716 O\n0.202223 0.029782 0.207716 O\n0.956689 0.799842 0.465100 O\n0.543311 0.799842 0.965100 O\n0.043311 0.200158 0.534900 O\n0.456689 0.200158 0.034900 O\n0.800890 0.430573 0.492554 O\n0.699110 0.430573 0.992554 O\n0.199110 0.569427 0.507446 O\n0.300890 0.569427 0.007446 O\n0.733140 0.097084 0.560260 O\n0.766860 0.097084 0.060260 O\n0.266860 0.902916 0.439740 O\n0.233140 0.902916 0.939740 O\n0.856911 0.236951 0.367873 O\n0.643089 0.236951 0.867873 O\n0.143089 0.763049 0.632127 O\n0.356911 0.763049 0.132127 O\n","nsites":64,"nelements":4,"elements":["V","H","S","O"],"chemical_system":"H-O-S-V","density":2.2150840694211524,"density_atomic":0.09833375630368767,"volume":650.8446580881798,"volume_molar":6.124184599845455,"formula_full":"V4 H24 S4 O32","formula_reduced":"VH6SO8","formula_anonymous":"ABC6D8","energy":-397.53160965,"energy_per_atom":-6.21143140078125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-368.74760965,"band_gap":3.0193,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9992956,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.109000Z","spacegroup":14},{"id":"mp-864744","created_at":"2022-09-04T14:39:06.635998Z","structure_string":"Ho1 Mg1 Rh2\n1.0\n0.000000 3.281780 3.281780\n3.281780 0.000000 3.281780\n3.281780 3.281780 0.000000\nHo Mg Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Ho","Mg","Rh"],"chemical_system":"Ho-Mg-Rh","density":9.279802437281457,"density_atomic":0.05658503693603567,"volume":70.69006607739149,"volume_molar":10.642638206293816,"formula_full":"Ho1 Mg1 Rh2","formula_reduced":"HoMgRh2","formula_anonymous":"ABC2","energy":-23.85400562,"energy_per_atom":-5.963501405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.85400562,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027941,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.774000Z","spacegroup":225},{"id":"mp-1517190","created_at":"2022-09-04T14:39:06.631256Z","structure_string":"Eu2 Y1 Sb1 O6\n1.0\n-0.000000 -4.193838 -4.193838\n4.193838 0.000000 -4.193838\n4.193838 -4.193838 -0.000000\nEu Y Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 -0.000000 Sb\n0.762818 0.237182 0.237182 O\n0.237182 0.762818 0.762818 O\n0.762818 0.237182 0.762818 O\n0.237182 0.762818 0.237182 O\n0.762818 0.762818 0.237182 O\n0.237182 0.237182 0.762818 O\n","nsites":10,"nelements":4,"elements":["Eu","Y","Sb","O"],"chemical_system":"Eu-O-Sb-Y","density":6.8728048973272395,"density_atomic":0.06778522670813224,"volume":147.52477030220354,"volume_molar":8.884149323465374,"formula_full":"Eu2 Y1 Sb1 O6","formula_reduced":"Eu2YSbO6","formula_anonymous":"ABC2D6","energy":-90.65125677,"energy_per_atom":-9.065125677000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.52925677,"band_gap":0.2538999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.0000004,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.590000Z","spacegroup":225},{"id":"mp-22537","created_at":"2022-09-04T14:39:06.629524Z","structure_string":"Er3 Sn1 C1\n1.0\n5.552727 0.000000 0.000000\n0.000000 5.552727 0.000000\n0.000000 0.000000 5.552727\nEr Sn C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Er","Sn","C"],"chemical_system":"C-Er-Sn","density":6.134640004639514,"density_atomic":0.029204584959465582,"volume":171.20599409098728,"volume_molar":20.62053190743307,"formula_full":"Er3 Sn1 C1","formula_reduced":"Er3SnC","formula_anonymous":"ABC3","energy":-19.50781918,"energy_per_atom":-3.901563836,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.50781918,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001895,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.451000Z","spacegroup":221},{"id":"mp-1188542","created_at":"2022-09-04T14:39:06.626096Z","structure_string":"Sr1 Fe4 Sb12\n1.0\n-4.610443 4.610443 4.610443\n4.610443 -4.610443 4.610443\n4.610443 4.610443 -4.610443\nSr Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.336217 0.173387 0.837170 Sb\n0.663783 0.826613 0.162830 Sb\n0.663783 0.500954 0.837170 Sb\n0.336217 0.499046 0.162830 Sb\n0.173387 0.837170 0.336217 Sb\n0.826613 0.162830 0.663783 Sb\n0.500954 0.837170 0.663783 Sb\n0.499046 0.162830 0.336217 Sb\n0.837170 0.336217 0.173387 Sb\n0.162830 0.663783 0.826613 Sb\n0.837170 0.663783 0.500954 Sb\n0.162830 0.336217 0.499046 Sb\n","nsites":17,"nelements":3,"elements":["Sr","Fe","Sb"],"chemical_system":"Fe-Sb-Sr","density":7.506789914367834,"density_atomic":0.043367157647721255,"volume":392.0017110204425,"volume_molar":13.88640871721146,"formula_full":"Sr1 Fe4 Sb12","formula_reduced":"Sr(FeSb3)4","formula_anonymous":"AB4C12","energy":-90.3431816,"energy_per_atom":-5.3143047999999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.0391816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9080047,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.211000Z","spacegroup":204},{"id":"mp-570864","created_at":"2022-09-04T14:39:06.623311Z","structure_string":"Er10 Ni2 Pb6\n1.0\n4.551118 -7.882767 0.000000\n4.551118 7.882767 0.000000\n0.000000 0.000000 6.646860\nEr Ni Pb\n10 2 6\ndirect\n0.000000 0.762467 0.750000 Er\n0.237533 0.000000 0.250000 Er\n0.762467 0.000000 0.750000 Er\n0.333333 0.666667 0.500000 Er\n0.000000 0.237533 0.250000 Er\n0.666667 0.333333 0.500000 Er\n0.762467 0.762467 0.250000 Er\n0.237533 0.237533 0.750000 Er\n0.333333 0.666667 0.000000 Er\n0.666667 0.333333 0.000000 Er\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.399312 0.399312 0.250000 Pb\n0.000000 0.399312 0.750000 Pb\n0.000000 0.600688 0.250000 Pb\n0.600688 0.000000 0.250000 Pb\n0.399312 0.000000 0.750000 Pb\n0.600688 0.600688 0.750000 Pb\n","nsites":18,"nelements":3,"elements":["Er","Ni","Pb"],"chemical_system":"Er-Ni-Pb","density":10.560962732592037,"density_atomic":0.03774237211816069,"volume":476.91755949114935,"volume_molar":15.95591485650764,"formula_full":"Er10 Ni2 Pb6","formula_reduced":"Er5NiPb3","formula_anonymous":"AB3C5","energy":-88.74777687,"energy_per_atom":-4.9304320483333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.74777687,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00015,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.800000Z","spacegroup":193},{"id":"mp-733729","created_at":"2022-09-04T14:39:06.619547Z","structure_string":"Rb8 In8 P8 H8 O40\n1.0\n9.542110 0.000000 0.000000\n0.000000 9.542110 0.000000\n0.000000 0.000000 11.376837\nRb In P H O\n8 8 8 8 40\ndirect\n0.984299 0.316126 0.296305 Rb\n0.015701 0.683874 0.796305 Rb\n0.816126 0.515701 0.546305 Rb\n0.183874 0.484299 0.046305 Rb\n0.683874 0.015701 0.203695 Rb\n0.316126 0.984299 0.703695 Rb\n0.515701 0.816126 0.453695 Rb\n0.484299 0.183874 0.953695 Rb\n0.600207 0.399793 0.250000 In\n0.399793 0.600207 0.750000 In\n0.899793 0.899793 0.500000 In\n0.100207 0.100207 0.000000 In\n0.153339 0.846661 0.250000 In\n0.846661 0.153339 0.750000 In\n0.346661 0.346661 0.500000 In\n0.653339 0.653339 0.000000 In\n0.840124 0.684502 0.253412 P\n0.159876 0.315498 0.753412 P\n0.184502 0.659876 0.503412 P\n0.815498 0.340124 0.003412 P\n0.315498 0.159876 0.246588 P\n0.684502 0.840124 0.746588 P\n0.659876 0.184502 0.496588 P\n0.340124 0.815498 0.996588 P\n0.121910 0.040814 0.406692 H\n0.878090 0.959186 0.906692 H\n0.540814 0.378090 0.656692 H\n0.459186 0.621910 0.156692 H\n0.959186 0.878090 0.093308 H\n0.040814 0.121910 0.593308 H\n0.378090 0.540814 0.343308 H\n0.621910 0.459186 0.843308 H\n0.828062 0.501286 0.989569 O\n0.171938 0.498714 0.489569 O\n0.001286 0.671938 0.239569 O\n0.998714 0.328062 0.739569 O\n0.498714 0.171938 0.510431 O\n0.501286 0.828062 0.010431 O\n0.671938 0.001286 0.760431 O\n0.328062 0.998714 0.260431 O\n0.715597 0.298641 0.107019 O\n0.284403 0.701359 0.607019 O\n0.798641 0.784403 0.357019 O\n0.201359 0.215597 0.857019 O\n0.701359 0.284403 0.392981 O\n0.298641 0.715597 0.892981 O\n0.784403 0.798641 0.642981 O\n0.215597 0.201359 0.142981 O\n0.780440 0.537212 0.282345 O\n0.219560 0.462788 0.782345 O\n0.037212 0.719560 0.532345 O\n0.962788 0.280440 0.032345 O\n0.462788 0.219560 0.217655 O\n0.537212 0.780440 0.717655 O\n0.719560 0.037212 0.467655 O\n0.280440 0.962788 0.967655 O\n0.775741 0.748747 0.139231 O\n0.224259 0.251253 0.639231 O\n0.248747 0.724259 0.389231 O\n0.751253 0.275741 0.889231 O\n0.251253 0.224259 0.360769 O\n0.748747 0.775741 0.860769 O\n0.724259 0.248747 0.610769 O\n0.275741 0.751253 0.110769 O\n0.455129 0.485436 0.376276 O\n0.544871 0.514564 0.876276 O\n0.985436 0.044871 0.626276 O\n0.014564 0.955129 0.126276 O\n0.514564 0.544871 0.123724 O\n0.485436 0.455129 0.623724 O\n0.044871 0.985436 0.373724 O\n0.955129 0.014564 0.873724 O\n","nsites":72,"nelements":5,"elements":["Rb","In","P","H","O"],"chemical_system":"H-In-O-P-Rb","density":4.004527937997961,"density_atomic":0.06950597232944258,"volume":1035.8822067654314,"volume_molar":8.664206194334517,"formula_full":"Rb8 In8 P8 H8 O40","formula_reduced":"RbInPHO5","formula_anonymous":"ABCDE5","energy":-463.9285003,"energy_per_atom":-6.443451393055556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-436.4485003,"band_gap":3.3688,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0067907,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.993000Z","spacegroup":96},{"id":"mp-1204932","created_at":"2022-09-04T14:39:06.619507Z","structure_string":"Ca4 B12 O48\n1.0\n12.823947 0.000000 0.000000\n0.000000 8.589616 0.000000\n0.000000 5.772163 9.527063\nCa B O\n4 12 48\ndirect\n0.356874 0.140739 0.469994 Ca\n0.856874 0.859261 0.030006 Ca\n0.643126 0.859261 0.530006 Ca\n0.143126 0.140739 0.969994 Ca\n0.395187 0.793936 0.436847 B\n0.895187 0.206064 0.063153 B\n0.604813 0.206064 0.563153 B\n0.104813 0.793936 0.936847 B\n0.071508 0.009248 0.275886 B\n0.571508 0.990752 0.224114 B\n0.928492 0.990752 0.724114 B\n0.428492 0.009248 0.775886 B\n0.934095 0.215215 0.281529 B\n0.434095 0.784785 0.218471 B\n0.065905 0.784785 0.718471 B\n0.565905 0.215215 0.781529 B\n0.326213 0.876317 0.478104 O\n0.826213 0.123683 0.021896 O\n0.673787 0.123683 0.521896 O\n0.173787 0.876317 0.978104 O\n0.015076 0.824536 0.330527 O\n0.515076 0.175464 0.169473 O\n0.984924 0.175464 0.669473 O\n0.484924 0.824536 0.830527 O\n0.374357 0.757010 0.331090 O\n0.874357 0.242990 0.168910 O\n0.625643 0.242990 0.668910 O\n0.125643 0.757010 0.831090 O\n0.165497 0.341865 0.421626 O\n0.665497 0.658135 0.078374 O\n0.834503 0.658135 0.578374 O\n0.334503 0.341865 0.921626 O\n0.020563 0.102378 0.328828 O\n0.520563 0.897622 0.171172 O\n0.979437 0.897622 0.671172 O\n0.479437 0.102378 0.828828 O\n0.905869 0.300493 0.350395 O\n0.405869 0.699507 0.149605 O\n0.094131 0.699507 0.649605 O\n0.594131 0.300493 0.850395 O\n0.470911 0.178051 0.276095 O\n0.970911 0.821949 0.223905 O\n0.529089 0.821949 0.723905 O\n0.029089 0.178051 0.776095 O\n0.702789 0.577860 0.394428 O\n0.202789 0.422140 0.105572 O\n0.297211 0.422140 0.605572 O\n0.797211 0.577860 0.894428 O\n0.782549 0.611861 0.323564 O\n0.282549 0.388139 0.176436 O\n0.217451 0.388139 0.676436 O\n0.717451 0.611861 0.823564 O\n0.651971 0.951923 0.304757 O\n0.151971 0.048077 0.195243 O\n0.348029 0.048077 0.695243 O\n0.848029 0.951923 0.804757 O\n0.512803 0.246516 0.493306 O\n0.012803 0.753484 0.006694 O\n0.487197 0.753484 0.506694 O\n0.987197 0.246516 0.993306 O\n0.139605 0.502856 0.346912 O\n0.639605 0.497144 0.153088 O\n0.860395 0.497144 0.653088 O\n0.360395 0.502856 0.846912 O\n","nsites":64,"nelements":3,"elements":["Ca","B","O"],"chemical_system":"B-Ca-O","density":1.6741196882162395,"density_atomic":0.060985343363744844,"volume":1049.4324778705327,"volume_molar":9.874734531018646,"formula_full":"Ca4 B12 O48","formula_reduced":"Ca(BO4)3","formula_anonymous":"AB3C12","energy":-411.31438136,"energy_per_atom":-6.42678720875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-403.58638136,"band_gap":0.1449,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9988775,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.239000Z","spacegroup":14},{"id":"mp-865429","created_at":"2022-09-04T14:39:06.610559Z","structure_string":"Yb1 Y1 Rh2\n1.0\n0.000000 3.392938 3.392938\n3.392938 0.000000 3.392938\n3.392938 3.392938 0.000000\nYb Y Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Yb","Y","Rh"],"chemical_system":"Rh-Y-Yb","density":9.942863716916884,"density_atomic":0.05120380375527379,"volume":78.11919636122768,"volume_molar":11.761119913634822,"formula_full":"Yb1 Y1 Rh2","formula_reduced":"YbYRh2","formula_anonymous":"ABC2","energy":-25.75879102,"energy_per_atom":-6.439697755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.75879102,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031821,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.370000Z","spacegroup":225}]}