{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10230","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10228","results":[{"id":"mp-559364","created_at":"2022-09-04T14:40:13.810050Z","structure_string":"Sr2 Bi4 B8 O20\n1.0\n6.855982 0.000000 0.000000\n-1.418046 6.891649 0.000000\n-3.213356 -1.720388 9.208401\nSr Bi B O\n2 4 8 20\ndirect\n0.034131 0.849504 0.165562 Sr\n0.965869 0.150496 0.834438 Sr\n0.732466 0.642441 0.663947 Bi\n0.267534 0.357559 0.336053 Bi\n0.695954 0.017179 0.399287 Bi\n0.304046 0.982821 0.600713 Bi\n0.399095 0.204567 0.074919 B\n0.600905 0.795433 0.925081 B\n0.847636 0.609663 0.367970 B\n0.152364 0.390337 0.632030 B\n0.410879 0.746717 0.093035 B\n0.199064 0.697071 0.822559 B\n0.800936 0.302929 0.177441 B\n0.589121 0.253283 0.906965 B\n0.075467 0.185323 0.605349 O\n0.640586 0.896794 0.586770 O\n0.601900 0.773871 0.064986 O\n0.411362 0.775018 0.814702 O\n0.588638 0.224982 0.185298 O\n0.359414 0.103206 0.413230 O\n0.211462 0.165577 0.095479 O\n0.781703 0.296046 0.020494 O\n0.218297 0.703954 0.979506 O\n0.742055 0.512394 0.446288 O\n0.889032 0.514814 0.251131 O\n0.938375 0.183189 0.251221 O\n0.581682 0.227688 0.766685 O\n0.788538 0.834423 0.904521 O\n0.110968 0.485186 0.748869 O\n0.257945 0.487606 0.553712 O\n0.061625 0.816811 0.748779 O\n0.924533 0.814677 0.394651 O\n0.418318 0.772312 0.233315 O\n0.398100 0.226129 0.935014 O\n","nsites":34,"nelements":4,"elements":["Sr","Bi","B","O"],"chemical_system":"B-Bi-O-Sr","density":5.410498471912324,"density_atomic":0.0781451222294011,"volume":435.0879367772994,"volume_molar":7.70635528897317,"formula_full":"Sr2 Bi4 B8 O20","formula_reduced":"SrBi2(B2O5)2","formula_anonymous":"AB2C4D10","energy":-261.20570697,"energy_per_atom":-7.682520793235294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.46570697,"band_gap":3.6402,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001423,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.391000Z","spacegroup":2},{"id":"mp-979980","created_at":"2022-09-04T14:40:13.812157Z","structure_string":"V2 Pd6\n1.0\n2.763386 -4.786324 0.000000\n2.763386 4.786324 0.000000\n0.000000 0.000000 4.488023\nV Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.169463 0.338927 0.250000 Pd\n0.661073 0.830537 0.250000 Pd\n0.169463 0.830537 0.250000 Pd\n0.830537 0.661073 0.750000 Pd\n0.338927 0.169463 0.750000 Pd\n0.830537 0.169463 0.750000 Pd\n","nsites":8,"nelements":2,"elements":["V","Pd"],"chemical_system":"Pd-V","density":10.35591675506404,"density_atomic":0.06738469554487492,"volume":118.72131995717619,"volume_molar":8.936956249938902,"formula_full":"V2 Pd6","formula_reduced":"VPd3","formula_anonymous":"AB3","energy":-51.2585578,"energy_per_atom":-6.407319725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.2585578,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.2082488,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.897000Z","spacegroup":194},{"id":"mp-1521693","created_at":"2022-09-04T14:40:13.832945Z","structure_string":"Sr1 Nd1 Zr1 Ni1 O6\n1.0\n0.000000 -4.001519 -4.001519\n4.001519 0.000000 -4.001519\n4.001519 -4.001519 0.000000\nSr Nd Zr Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ni\n0.757152 0.242848 0.242848 O\n0.242848 0.757152 0.757152 O\n0.757152 0.242848 0.757152 O\n0.242848 0.757152 0.242848 O\n0.757152 0.757152 0.242848 O\n0.242848 0.242848 0.757152 O\n","nsites":10,"nelements":5,"elements":["Sr","Nd","Zr","Ni","O"],"chemical_system":"Nd-Ni-O-Sr-Zr","density":6.191111136712412,"density_atomic":0.07803606364945695,"volume":128.1458793836738,"volume_molar":7.717125234624656,"formula_full":"Sr1 Nd1 Zr1 Ni1 O6","formula_reduced":"SrNdZrNiO6","formula_anonymous":"ABCDE6","energy":-78.96337657,"energy_per_atom":-7.896337656999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.30037657,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.869000Z","spacegroup":216},{"id":"mp-33137","created_at":"2022-09-04T14:40:13.837712Z","structure_string":"Tc4 O8\n1.0\n4.813419 0.000000 0.000000\n0.000000 5.532753 0.000000\n0.000000 2.636291 4.927251\nTc O\n4 8\ndirect\n0.504859 0.734809 0.780164 Tc\n0.004859 0.265191 0.719836 Tc\n0.495141 0.265191 0.219836 Tc\n0.995141 0.734809 0.280164 Tc\n0.213079 0.607445 0.623805 O\n0.191263 0.105611 0.086793 O\n0.808737 0.894389 0.913207 O\n0.691263 0.894389 0.413207 O\n0.308737 0.105611 0.586793 O\n0.286921 0.607445 0.123805 O\n0.713079 0.392555 0.876195 O\n0.786921 0.392555 0.376195 O\n","nsites":12,"nelements":2,"elements":["Tc","O"],"chemical_system":"O-Tc","density":6.580346997899599,"density_atomic":0.09144955772981596,"volume":131.21988009448353,"volume_molar":6.585204903660849,"formula_full":"Tc4 O8","formula_reduced":"TcO2","formula_anonymous":"AB2","energy":-103.62661268,"energy_per_atom":-8.635551056666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.13061268,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.51e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.685000Z","spacegroup":14},{"id":"mp-778931","created_at":"2022-09-04T14:40:13.838974Z","structure_string":"Cr8 B24 H24 O72\n1.0\n9.312844 0.000000 0.000000\n0.000000 11.764621 0.000000\n0.000000 0.000000 14.274382\nCr B H O\n8 24 24 72\ndirect\n0.343698 0.235510 0.324850 Cr\n0.656302 0.235510 0.824850 Cr\n0.156302 0.264490 0.824850 Cr\n0.843698 0.264490 0.324850 Cr\n0.156302 0.735510 0.675150 Cr\n0.843698 0.735510 0.175150 Cr\n0.343698 0.764490 0.175150 Cr\n0.656302 0.764490 0.675150 Cr\n0.966385 0.147892 0.580703 B\n0.033615 0.147892 0.080703 B\n0.532575 0.144572 0.074306 B\n0.467425 0.144572 0.574306 B\n0.909378 0.245637 0.950230 B\n0.090622 0.245637 0.450230 B\n0.409378 0.254363 0.950230 B\n0.590622 0.254363 0.450230 B\n0.032575 0.355428 0.074306 B\n0.967425 0.355428 0.574306 B\n0.533615 0.352108 0.080703 B\n0.466385 0.352108 0.580703 B\n0.466385 0.647892 0.919297 B\n0.533615 0.647892 0.419297 B\n0.032575 0.644572 0.425694 B\n0.967425 0.644572 0.925694 B\n0.409378 0.745637 0.549770 B\n0.590622 0.745637 0.049770 B\n0.090622 0.754363 0.049770 B\n0.909378 0.754363 0.549770 B\n0.467425 0.855428 0.925694 B\n0.532575 0.855428 0.425694 B\n0.033615 0.852108 0.419297 B\n0.966385 0.852108 0.919297 B\n0.064229 0.983246 0.086860 H\n0.935771 0.983246 0.586860 H\n0.562669 0.022592 0.422535 H\n0.437331 0.022592 0.922535 H\n0.296545 0.203874 0.694542 H\n0.703455 0.203874 0.194542 H\n0.203455 0.296126 0.194542 H\n0.796545 0.296126 0.694542 H\n0.062669 0.477408 0.422535 H\n0.937331 0.477408 0.922535 H\n0.564229 0.516754 0.086860 H\n0.435771 0.516754 0.586860 H\n0.435771 0.483246 0.913140 H\n0.564229 0.483246 0.413140 H\n0.062669 0.522592 0.077465 H\n0.937331 0.522592 0.577465 H\n0.796545 0.703874 0.805458 H\n0.203455 0.703874 0.305458 H\n0.296545 0.796126 0.805458 H\n0.703455 0.796126 0.305458 H\n0.437331 0.977408 0.577465 H\n0.562669 0.977408 0.077465 H\n0.064229 0.016754 0.413140 H\n0.935771 0.016754 0.913140 H\n0.417709 0.047724 0.612972 O\n0.582291 0.047724 0.112972 O\n0.086312 0.053130 0.121607 O\n0.913688 0.053130 0.621607 O\n0.328482 0.108909 0.289404 O\n0.671518 0.108909 0.789404 O\n0.945377 0.145331 0.002561 O\n0.054623 0.145331 0.502561 O\n0.550131 0.148332 0.493941 O\n0.449869 0.148332 0.993941 O\n0.781317 0.175401 0.238623 O\n0.218683 0.175401 0.738623 O\n0.016285 0.235099 0.353548 O\n0.983715 0.235099 0.853548 O\n0.246179 0.250581 0.425409 O\n0.753821 0.250581 0.925409 O\n0.427662 0.246038 0.619459 O\n0.572338 0.246038 0.119459 O\n0.072338 0.253962 0.119459 O\n0.927662 0.253962 0.619459 O\n0.746179 0.249419 0.425409 O\n0.253821 0.249419 0.925409 O\n0.483715 0.264901 0.853548 O\n0.516285 0.264901 0.353548 O\n0.281317 0.324599 0.238623 O\n0.718683 0.324599 0.738623 O\n0.050131 0.351668 0.493941 O\n0.949869 0.351668 0.993941 O\n0.554623 0.354669 0.502561 O\n0.445377 0.354669 0.002561 O\n0.828482 0.391091 0.289404 O\n0.171518 0.391091 0.789404 O\n0.586312 0.446870 0.121607 O\n0.413688 0.446870 0.621607 O\n0.082291 0.452276 0.112972 O\n0.917709 0.452276 0.612972 O\n0.082291 0.547724 0.387028 O\n0.917709 0.547724 0.887028 O\n0.586312 0.553130 0.378393 O\n0.413688 0.553130 0.878393 O\n0.828482 0.608909 0.210596 O\n0.171518 0.608909 0.710596 O\n0.445377 0.645331 0.497439 O\n0.554623 0.645331 0.997439 O\n0.050131 0.648332 0.006059 O\n0.949869 0.648332 0.506059 O\n0.281317 0.675401 0.261377 O\n0.718683 0.675401 0.761377 O\n0.483715 0.735099 0.646452 O\n0.516285 0.735099 0.146452 O\n0.253821 0.750581 0.574591 O\n0.746179 0.750581 0.074591 O\n0.927662 0.746038 0.880541 O\n0.072338 0.746038 0.380541 O\n0.427662 0.753962 0.880541 O\n0.572338 0.753962 0.380541 O\n0.246179 0.749419 0.074591 O\n0.753821 0.749419 0.574591 O\n0.016285 0.764901 0.146452 O\n0.983715 0.764901 0.646452 O\n0.218683 0.824599 0.761377 O\n0.781317 0.824599 0.261377 O\n0.449869 0.851668 0.506059 O\n0.550131 0.851668 0.006059 O\n0.054623 0.854669 0.997439 O\n0.945377 0.854669 0.497439 O\n0.328482 0.891091 0.210596 O\n0.671518 0.891091 0.710596 O\n0.086312 0.946870 0.378393 O\n0.913688 0.946870 0.878393 O\n0.417709 0.952276 0.887028 O\n0.582291 0.952276 0.387028 O\n","nsites":128,"nelements":4,"elements":["Cr","B","H","O"],"chemical_system":"B-Cr-H-O","density":1.9659570800603918,"density_atomic":0.08184504387575148,"volume":1563.9309839495731,"volume_molar":7.357978534585649,"formula_full":"Cr8 B24 H24 O72","formula_reduced":"CrB3(HO3)3","formula_anonymous":"AB3C3D9","energy":-935.29888068,"energy_per_atom":-7.3070225053125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-869.84288068,"band_gap":1.778,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007669,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.613000Z","spacegroup":60},{"id":"mp-1094521","created_at":"2022-09-04T14:40:13.927444Z","structure_string":"Mg2 Sn4\n1.0\n2.876555 -4.907831 0.000000\n2.876555 4.907831 0.000000\n0.000000 0.000000 5.480112\nMg Sn\n2 4\ndirect\n0.667558 0.667558 0.750000 Mg\n0.332442 0.332442 0.250000 Mg\n0.005969 0.337275 0.750000 Sn\n0.337275 0.005969 0.750000 Sn\n0.662725 0.994031 0.250000 Sn\n0.994031 0.662725 0.250000 Sn\n","nsites":6,"nelements":2,"elements":["Mg","Sn"],"chemical_system":"Mg-Sn","density":5.617493645000827,"density_atomic":0.03877658320025731,"volume":154.7325603448265,"volume_molar":15.530354309195655,"formula_full":"Mg2 Sn4","formula_reduced":"MgSn2","formula_anonymous":"AB2","energy":-19.2988257,"energy_per_atom":-3.2164709499999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.2988257,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072717,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.564000Z","spacegroup":63},{"id":"mp-1207948","created_at":"2022-09-04T14:40:13.719536Z","structure_string":"V8 As8 N8 O32 F8\n1.0\n6.597361 0.000000 0.000000\n0.000000 10.888549 0.000000\n0.000000 0.000000 13.361396\nV As N O F\n8 8 8 32 8\ndirect\n0.244838 0.127801 0.251885 V\n0.755162 0.627801 0.748115 V\n0.255162 0.127801 0.751885 V\n0.744838 0.627801 0.248115 V\n0.493630 0.377363 0.391881 V\n0.506370 0.877363 0.608119 V\n0.006370 0.377363 0.891881 V\n0.993630 0.877363 0.108119 V\n0.995947 0.379801 0.316051 As\n0.004053 0.879801 0.683949 As\n0.504053 0.379801 0.816051 As\n0.495947 0.879801 0.183949 As\n0.179055 0.125158 0.001290 As\n0.820945 0.625158 0.998710 As\n0.320945 0.125158 0.501290 As\n0.679055 0.625158 0.498710 As\n0.313402 0.445918 0.107035 N\n0.686598 0.945918 0.892965 N\n0.186598 0.445918 0.607035 N\n0.813402 0.945918 0.392965 N\n0.718073 0.200951 0.109535 N\n0.281927 0.700951 0.890465 N\n0.781927 0.200951 0.609535 N\n0.218073 0.700951 0.390465 N\n0.174927 0.110481 0.396137 O\n0.825073 0.610481 0.603863 O\n0.325073 0.110481 0.896137 O\n0.674927 0.610481 0.103863 O\n0.051135 0.253772 0.241106 O\n0.948865 0.753772 0.758894 O\n0.448865 0.253772 0.741106 O\n0.551135 0.753772 0.258894 O\n0.008316 0.007670 0.014256 O\n0.991684 0.507670 0.985744 O\n0.491684 0.007670 0.514256 O\n0.508316 0.507670 0.485744 O\n0.473921 0.254655 0.483290 O\n0.526079 0.754655 0.516710 O\n0.026079 0.254655 0.983290 O\n0.973921 0.754655 0.016710 O\n0.317510 0.146501 0.108099 O\n0.682490 0.646501 0.891901 O\n0.182490 0.146501 0.608099 O\n0.817510 0.646501 0.391901 O\n0.440362 0.001565 0.263291 O\n0.559638 0.501565 0.736709 O\n0.059638 0.001565 0.763291 O\n0.940362 0.501565 0.236709 O\n0.292229 0.853360 0.109295 O\n0.707771 0.353360 0.890705 O\n0.207771 0.853360 0.609295 O\n0.792229 0.353360 0.390705 O\n0.204329 0.414033 0.386958 O\n0.795671 0.914033 0.613042 O\n0.295671 0.414033 0.886958 O\n0.704329 0.914033 0.113042 O\n0.043356 0.999321 0.218309 F\n0.956644 0.499321 0.781691 F\n0.456644 0.999321 0.718309 F\n0.543356 0.499321 0.281691 F\n0.449432 0.253949 0.282212 F\n0.550568 0.753949 0.717788 F\n0.050568 0.253949 0.782212 F\n0.949432 0.753949 0.217788 F\n","nsites":64,"nelements":5,"elements":["V","As","N","O","F"],"chemical_system":"As-F-N-O-V","density":3.0845401317967887,"density_atomic":0.06667881601664592,"volume":959.8250812375377,"volume_molar":9.03156522529826,"formula_full":"V8 As8 N8 O32 F8","formula_reduced":"VAsNO4F","formula_anonymous":"ABCDE4","energy":-428.03954873,"energy_per_atom":-6.68811794890625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-388.75954873,"band_gap":1.1437,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.898000Z","spacegroup":33},{"id":"mp-757151","created_at":"2022-09-04T14:40:13.728683Z","structure_string":"Li2 V1 F7\n1.0\n-2.943778 3.159827 4.040181\n2.943778 -3.159827 4.040181\n2.943778 3.159827 -4.040181\nLi V F\n2 1 7\ndirect\n0.606551 0.364939 0.241611 Li\n0.123328 0.364939 0.758389 Li\n0.492784 0.992784 0.500000 V\n0.705353 0.782986 0.484465 F\n0.298522 0.782986 0.077633 F\n0.731681 0.231681 0.500000 F\n0.258378 0.258378 0.000000 F\n0.705353 0.220889 0.922367 F\n0.298522 0.220889 0.515535 F\n0.276730 0.776730 0.500000 F\n","nsites":10,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.1851098007339473,"density_atomic":0.06652284671130713,"volume":150.32429449986637,"volume_molar":9.05274061125889,"formula_full":"Li2 V1 F7","formula_reduced":"Li2VF7","formula_anonymous":"AB2C7","energy":-55.33620861,"energy_per_atom":-5.533620861,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.40220861,"band_gap":0.6601000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.211000Z","spacegroup":44},{"id":"mp-1228414","created_at":"2022-09-04T14:40:13.733538Z","structure_string":"Ba2 Mn1 Nb1 O6\n1.0\n0.000000 4.118211 4.118211\n4.118211 0.000000 4.118211\n4.118211 4.118211 0.000000\nBa Mn Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Nb\n0.753624 0.246376 0.246376 O\n0.246376 0.753624 0.753624 O\n0.246376 0.246376 0.753624 O\n0.753624 0.753624 0.246376 O\n0.246376 0.753624 0.246376 O\n0.753624 0.246376 0.753624 O\n","nsites":10,"nelements":4,"elements":["Ba","Mn","Nb","O"],"chemical_system":"Ba-Mn-Nb-O","density":6.16364681403778,"density_atomic":0.07158865803894641,"volume":139.68693189582763,"volume_molar":8.412143662092076,"formula_full":"Ba2 Mn1 Nb1 O6","formula_reduced":"Ba2MnNbO6","formula_anonymous":"ABC2D6","energy":-82.19613777999999,"energy_per_atom":-8.219613778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.40613778,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000187,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.146000Z","spacegroup":225},{"id":"mp-760242","created_at":"2022-09-04T14:40:13.736496Z","structure_string":"Li2 V2 O2 F8\n1.0\n5.401869 0.000000 0.000000\n-2.149768 5.275661 0.000000\n-0.766886 -2.211969 6.633426\nLi V O F\n2 2 2 8\ndirect\n0.667562 0.310831 0.747282 Li\n0.332438 0.689169 0.252718 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.916624 0.018128 0.246747 O\n0.083376 0.981872 0.753253 O\n0.766105 0.151221 0.940815 F\n0.036693 0.690342 0.388215 F\n0.716508 0.663232 0.891326 F\n0.368984 0.189730 0.516913 F\n0.631016 0.810270 0.483087 F\n0.283492 0.336768 0.108674 F\n0.963307 0.309658 0.611785 F\n0.233895 0.848779 0.059185 F\n","nsites":14,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.6330005958270593,"density_atomic":0.07405752909824113,"volume":189.04222393685694,"volume_molar":8.131706300937099,"formula_full":"Li2 V2 O2 F8","formula_reduced":"LiVOF4","formula_anonymous":"ABCD4","energy":-86.76675643,"energy_per_atom":-6.197625459285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.29675643,"band_gap":2.1252,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.699000Z","spacegroup":2},{"id":"mp-1018276","created_at":"2022-09-04T14:40:13.745460Z","structure_string":"Ce2 Ga2\n1.0\n2.210226 -5.566600 0.000000\n2.210226 5.566600 0.000000\n0.000000 0.000000 4.134524\nCe Ga\n2 2\ndirect\n0.857529 0.142471 0.250000 Ce\n0.142471 0.857529 0.750000 Ce\n0.572079 0.427921 0.250000 Ga\n0.427921 0.572079 0.750000 Ga\n","nsites":4,"nelements":2,"elements":["Ce","Ga"],"chemical_system":"Ce-Ga","density":6.8498819888692495,"density_atomic":0.03931676527300913,"volume":101.73776942799489,"volume_molar":15.316979202595249,"formula_full":"Ce2 Ga2","formula_reduced":"CeGa","formula_anonymous":"AB","energy":-19.81426293,"energy_per_atom":-4.9535657325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.81426293,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0662658,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.777000Z","spacegroup":63},{"id":"mp-7220","created_at":"2022-09-04T14:40:13.746349Z","structure_string":"Na2 Y6 Si2 S14\n1.0\n4.992563 -8.647372 0.000000\n4.992563 8.647372 0.000000\n0.000000 0.000000 5.756097\nNa Y Si S\n2 6 2 14\ndirect\n0.000000 0.000000 0.037914 Na\n0.000000 0.000000 0.537914 Na\n0.131098 0.768881 0.753767 Y\n0.362217 0.131098 0.253767 Y\n0.231119 0.362217 0.753767 Y\n0.637783 0.868902 0.753767 Y\n0.768881 0.637783 0.253767 Y\n0.868902 0.231119 0.253767 Y\n0.666667 0.333333 0.666138 Si\n0.333333 0.666667 0.166138 Si\n0.097312 0.834687 0.290812 S\n0.737375 0.902688 0.290812 S\n0.834687 0.737375 0.790812 S\n0.902688 0.165313 0.790812 S\n0.522574 0.413874 0.514975 S\n0.165313 0.262625 0.290812 S\n0.333333 0.666667 0.534684 S\n0.666667 0.333333 0.034684 S\n0.413874 0.891299 0.014975 S\n0.108701 0.522574 0.014975 S\n0.477426 0.586126 0.014975 S\n0.586126 0.108701 0.514975 S\n0.891299 0.477426 0.514975 S\n0.262625 0.097312 0.790812 S\n","nsites":24,"nelements":4,"elements":["Na","Y","Si","S"],"chemical_system":"Na-S-Si-Y","density":3.623356879330111,"density_atomic":0.04828869247471563,"volume":497.0107652545491,"volume_molar":12.471119948325882,"formula_full":"Na2 Y6 Si2 S14","formula_reduced":"NaY3SiS7","formula_anonymous":"ABC3D7","energy":-155.19105248,"energy_per_atom":-6.466293853333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.14905248,"band_gap":2.1956999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.46e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.032000Z","spacegroup":173}]}