{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10116","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10114","results":[{"id":"mp-1093992","created_at":"2022-09-04T14:42:51.519768Z","structure_string":"Zr2 N2\n1.0\n1.603820 -2.777897 0.000000\n1.603820 2.777897 0.000000\n0.000000 0.000000 5.520387\nZr N\n2 2\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":2,"elements":["Zr","N"],"chemical_system":"N-Zr","density":7.104774014935765,"density_atomic":0.08131837800322421,"volume":49.18937266359891,"volume_molar":7.405633151907218,"formula_full":"Zr2 N2","formula_reduced":"ZrN","formula_anonymous":"AB","energy":-41.02391633,"energy_per_atom":-10.2559790825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.30191633,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005679,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.225000Z","spacegroup":194},{"id":"mp-25812","created_at":"2022-09-04T14:42:51.522251Z","structure_string":"Li2 V4 P10 O32\n1.0\n6.815726 0.000000 0.000000\n0.000000 5.082187 0.000000\n0.000000 0.073088 18.860856\nLi V P O\n2 4 10 32\ndirect\n0.348470 0.729652 0.529241 Li\n0.651530 0.729652 0.029241 Li\n0.817679 0.732780 0.592943 V\n0.182321 0.732780 0.092943 V\n0.821161 0.258371 0.906904 V\n0.178839 0.258371 0.406904 V\n0.526413 0.250066 0.630472 P\n0.473587 0.250066 0.130472 P\n0.534454 0.747177 0.869763 P\n0.873685 0.227444 0.079621 P\n0.465546 0.747177 0.369763 P\n0.258724 0.009066 0.249606 P\n0.741276 0.009066 0.749606 P\n0.871302 0.772255 0.422325 P\n0.126315 0.227444 0.579621 P\n0.128698 0.772255 0.922325 P\n0.151207 0.851058 0.194680 O\n0.944774 0.053838 0.430208 O\n0.597123 0.216425 0.711005 O\n0.391299 0.036580 0.083765 O\n0.962220 0.392148 0.611114 O\n0.848793 0.851058 0.694680 O\n0.037780 0.392148 0.111114 O\n0.608701 0.036580 0.583765 O\n0.589575 0.816343 0.789083 O\n0.364394 0.929012 0.422511 O\n0.296315 0.218886 0.641038 O\n0.306379 0.798252 0.864550 O\n0.635606 0.929012 0.922511 O\n0.858687 0.158348 0.802703 O\n0.410425 0.816343 0.289083 O\n0.558448 0.533198 0.607960 O\n0.920062 0.935064 0.069033 O\n0.017463 0.584415 0.389222 O\n0.982537 0.584415 0.889222 O\n0.221616 0.358539 0.514162 O\n0.079938 0.935064 0.569033 O\n0.428118 0.458452 0.382445 O\n0.055226 0.053838 0.930208 O\n0.773499 0.673929 0.490672 O\n0.703685 0.218886 0.141038 O\n0.226501 0.673929 0.990672 O\n0.141313 0.158348 0.302703 O\n0.402877 0.216425 0.211005 O\n0.778384 0.358539 0.014162 O\n0.693621 0.798252 0.364550 O\n0.441552 0.533198 0.107960 O\n0.571882 0.458452 0.882445 O\n","nsites":48,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.641761555031484,"density_atomic":0.07347119000863891,"volume":653.3173070200177,"volume_molar":8.196601632955588,"formula_full":"Li2 V4 P10 O32","formula_reduced":"LiV2P5O16","formula_anonymous":"AB2C5D16","energy":-381.47018383,"energy_per_atom":-7.9472954964583336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-352.68618383,"band_gap":2.0618,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.000225,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.877000Z","spacegroup":7},{"id":"mp-680183","created_at":"2022-09-04T14:42:51.529241Z","structure_string":"Te20 As8 Br16 O20 F104\n1.0\n9.989955 0.000000 0.000000\n-4.692887 17.465972 0.000000\n-4.509079 -5.892354 17.768070\nTe As Br O F\n20 8 16 20 104\ndirect\n0.786142 0.443349 0.110873 Te\n0.213858 0.556651 0.889127 Te\n0.950059 0.285803 0.604644 Te\n0.049941 0.714197 0.395356 Te\n0.663730 0.646526 0.546542 Te\n0.634747 0.715300 0.102091 Te\n0.336270 0.353474 0.453458 Te\n0.806508 0.363395 0.378180 Te\n0.365253 0.284700 0.897909 Te\n0.549793 0.823795 0.406918 Te\n0.450207 0.176205 0.593082 Te\n0.077952 0.789185 0.862408 Te\n0.922048 0.210815 0.137592 Te\n0.475576 0.099570 0.335514 Te\n0.359288 0.113538 0.061186 Te\n0.168648 0.748779 0.109415 Te\n0.640712 0.886462 0.938814 Te\n0.831352 0.251221 0.890585 Te\n0.193492 0.636605 0.621820 Te\n0.524424 0.900430 0.664486 Te\n0.628597 0.530231 0.782109 As\n0.620022 0.277521 0.486760 As\n0.630258 0.235332 0.014309 As\n0.083085 0.006421 0.737012 As\n0.369742 0.764668 0.985691 As\n0.379978 0.722479 0.513240 As\n0.916915 0.993579 0.262988 As\n0.371403 0.469769 0.217891 As\n0.590377 0.570604 0.264270 Br\n0.404226 0.348637 0.209164 Br\n0.976220 0.903871 0.319239 Br\n0.745824 0.530759 0.898592 Br\n0.328665 0.043326 0.788959 Br\n0.999536 0.117032 0.351678 Br\n0.970978 0.003056 0.826846 Br\n0.595774 0.651363 0.790836 Br\n0.023780 0.096129 0.680761 Br\n0.409623 0.429396 0.735730 Br\n0.760369 0.507120 0.703104 Br\n0.029022 0.996944 0.173154 Br\n0.239631 0.492880 0.296896 Br\n0.671335 0.956674 0.211041 Br\n0.000464 0.882968 0.648322 Br\n0.254176 0.469241 0.101408 Br\n0.209143 0.728842 0.016240 O\n0.190844 0.728139 0.486773 O\n0.444599 0.833389 0.562284 O\n0.809156 0.271861 0.513227 O\n0.753515 0.240116 0.105789 O\n0.591837 0.254614 0.572852 O\n0.359883 0.658480 0.943339 O\n0.790857 0.271158 0.983760 O\n0.640117 0.341520 0.056661 O\n0.408163 0.745386 0.427148 O\n0.555401 0.166611 0.437716 O\n0.474740 0.210143 0.051848 O\n0.352744 0.700725 0.599617 O\n0.525260 0.789857 0.948152 O\n0.497053 0.767407 0.075609 O\n0.502947 0.232593 0.924391 O\n0.647256 0.299275 0.400383 O\n0.246485 0.759884 0.894211 O\n0.427665 0.273410 0.451545 O\n0.572335 0.726590 0.548455 O\n0.790415 0.811863 0.125746 F\n0.774386 0.670793 0.140240 F\n0.362914 0.511957 0.910075 F\n0.002823 0.340259 0.940749 F\n0.319577 0.104856 0.623272 F\n0.874647 0.122919 0.051032 F\n0.087547 0.184962 0.178762 F\n0.491597 0.615452 0.081575 F\n0.374959 0.252017 0.799501 F\n0.834763 0.458770 0.025102 F\n0.265041 0.680361 0.141372 F\n0.907291 0.289074 0.378897 F\n0.110506 0.760939 0.196001 F\n0.898680 0.702244 0.309261 F\n0.635495 0.145919 0.306119 F\n0.055314 0.593357 0.864827 F\n0.703654 0.308052 0.276046 F\n0.567268 0.028101 0.363697 F\n0.125353 0.877081 0.948968 F\n0.164535 0.798989 0.371209 F\n0.916504 0.421814 0.478326 F\n0.983723 0.790155 0.449576 F\n0.691736 0.956776 0.645394 F\n0.680423 0.895144 0.376728 F\n0.931737 0.182148 0.916466 F\n0.603914 0.974226 0.762553 F\n0.305601 0.138417 0.498750 F\n0.895081 0.361230 0.666994 F\n0.952408 0.424683 0.348510 F\n0.734959 0.319639 0.858628 F\n0.475475 0.906613 0.437623 F\n0.660791 0.680614 0.007910 F\n0.604459 0.132983 0.970445 F\n0.419919 0.791225 0.309213 F\n0.915071 0.630428 0.410068 F\n0.432732 0.971899 0.636303 F\n0.601872 0.829521 0.837018 F\n0.767065 0.973977 0.923449 F\n0.231026 0.425366 0.452162 F\n0.225614 0.329207 0.859760 F\n0.635816 0.746568 0.374581 F\n0.084929 0.369572 0.589932 F\n0.489878 0.927921 0.912070 F\n0.177806 0.857642 0.817420 F\n0.835465 0.201011 0.628791 F\n0.683425 0.380936 0.539964 F\n0.750219 0.436700 0.200980 F\n0.339209 0.319386 0.992090 F\n0.336054 0.839194 0.164837 F\n0.209585 0.188137 0.874254 F\n0.508403 0.384548 0.918425 F\n0.821907 0.718790 0.533505 F\n0.524525 0.093387 0.562377 F\n0.889494 0.239061 0.803999 F\n0.716546 0.441979 0.372794 F\n0.249781 0.563300 0.799020 F\n0.485053 0.428115 0.436800 F\n0.364184 0.253432 0.625419 F\n0.047592 0.575317 0.651490 F\n0.625634 0.835344 0.699137 F\n0.296346 0.691948 0.723954 F\n0.753975 0.691627 0.651095 F\n0.178093 0.281210 0.466495 F\n0.283454 0.558021 0.627206 F\n0.364505 0.854081 0.693881 F\n0.768974 0.574634 0.547838 F\n0.580081 0.208775 0.690787 F\n0.625041 0.747983 0.200499 F\n0.083496 0.578186 0.521674 F\n0.514947 0.571885 0.563200 F\n0.308247 0.050651 0.960347 F\n0.395541 0.867017 0.029555 F\n0.959186 0.723591 0.902407 F\n0.510122 0.072079 0.087930 F\n0.084487 0.452010 0.835156 F\n0.308264 0.043224 0.354606 F\n0.016277 0.209845 0.550424 F\n0.915513 0.547990 0.164844 F\n0.396086 0.025774 0.237447 F\n0.316575 0.619064 0.460036 F\n0.398128 0.170479 0.162982 F\n0.101320 0.297756 0.690739 F\n0.822194 0.142358 0.182580 F\n0.694399 0.861583 0.501250 F\n0.040814 0.276409 0.097593 F\n0.944686 0.406643 0.135173 F\n0.663946 0.160806 0.835163 F\n0.691753 0.949349 0.039653 F\n0.802619 0.852060 0.964377 F\n0.092709 0.710926 0.621103 F\n0.912453 0.815038 0.821238 F\n0.104919 0.638770 0.333006 F\n0.585066 0.597856 0.441672 F\n0.197381 0.147940 0.035623 F\n0.246025 0.308373 0.348905 F\n0.374366 0.164656 0.300863 F\n0.982890 0.296325 0.227184 F\n0.414934 0.402144 0.558328 F\n0.017110 0.703675 0.772816 F\n0.637086 0.488043 0.089925 F\n0.997177 0.659741 0.059251 F\n0.068263 0.817852 0.083534 F\n0.232935 0.026023 0.076551 F\n0.165237 0.541230 0.974898 F\n","nsites":168,"nelements":5,"elements":["Te","As","Br","O","F"],"chemical_system":"As-Br-F-O-Te","density":3.6023621958767196,"density_atomic":0.05418919926926381,"volume":3100.24879986167,"volume_molar":11.11317539511193,"formula_full":"Te20 As8 Br16 O20 F104","formula_reduced":"Te5As2Br4O5F26","formula_anonymous":"A2B4C5D5E26","energy":-767.04196588,"energy_per_atom":-4.565725987380953,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-696.70996588,"band_gap":2.1236,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004503,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.694000Z","spacegroup":2},{"id":"mp-696766","created_at":"2022-09-04T14:42:51.530296Z","structure_string":"Co2 H24 Cl4 O12\n1.0\n4.414552 3.526518 -2.766217\n0.023203 7.075695 6.739449\n4.456538 -3.537439 3.961338\nCo H Cl O\n2 24 4 12\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.497936 0.317219 0.130152 H\n0.996264 0.816132 0.630958 H\n0.502064 0.682781 0.869848 H\n0.003736 0.183868 0.369042 H\n0.484187 0.781522 0.048385 H\n0.985245 0.281663 0.548794 H\n0.515813 0.218478 0.951615 H\n0.014755 0.718337 0.451206 H\n0.633241 0.570145 0.156456 H\n0.132922 0.069271 0.654466 H\n0.825662 0.761183 0.959790 H\n0.324281 0.261648 0.465255 H\n0.366759 0.429855 0.843544 H\n0.867078 0.930729 0.345534 H\n0.174338 0.238817 0.040210 H\n0.675719 0.738352 0.534745 H\n0.063551 0.723413 0.052083 H\n0.564719 0.224231 0.552079 H\n0.835009 0.494081 0.281829 H\n0.334143 0.992554 0.780063 H\n0.936449 0.276587 0.947917 H\n0.435281 0.775769 0.447921 H\n0.164991 0.505919 0.718171 H\n0.665857 0.007446 0.219937 H\n0.163090 0.562391 0.287604 Cl\n0.664602 0.062545 0.786533 Cl\n0.836910 0.437609 0.712396 Cl\n0.335398 0.937454 0.213467 Cl\n0.422417 0.292735 0.008283 O\n0.921733 0.792803 0.508008 O\n0.577583 0.707265 0.991717 O\n0.078267 0.207197 0.491992 O\n0.677835 0.494750 0.256822 O\n0.176822 0.994547 0.755977 O\n0.974325 0.788982 0.959800 O\n0.472663 0.289761 0.461887 O\n0.322165 0.505250 0.743177 O\n0.823178 0.005453 0.244024 O\n0.025675 0.211018 0.040200 O\n0.527337 0.710239 0.538113 O\n","nsites":42,"nelements":4,"elements":["Co","H","Cl","O"],"chemical_system":"Cl-Co-H-O","density":1.872352442724471,"density_atomic":0.0995192277137539,"volume":422.0289984645395,"volume_molar":6.05123341322686,"formula_full":"Co2 H24 Cl4 O12","formula_reduced":"CoH12(ClO3)2","formula_anonymous":"AB2C6D12","energy":-215.13597096000004,"energy_per_atom":-5.1222850228571435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.15997096,"band_gap":3.0715,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.756000Z","spacegroup":12},{"id":"mp-989645","created_at":"2022-09-04T14:42:51.532922Z","structure_string":"Y2 W2 N6\n1.0\n3.650970 0.000000 0.000000\n0.000000 5.766710 0.000000\n0.000000 2.479548 7.617745\nY W N\n2 2 6\ndirect\n0.250000 0.295760 0.403140 Y\n0.750000 0.704240 0.596860 Y\n0.250000 0.114450 0.819420 W\n0.750000 0.885550 0.180580 W\n0.750000 0.061840 0.337700 N\n0.750000 0.573100 0.345200 N\n0.250000 0.938160 0.662300 N\n0.250000 0.426900 0.654800 N\n0.250000 0.870760 0.089580 N\n0.750000 0.129240 0.910420 N\n","nsites":10,"nelements":3,"elements":["Y","W","N"],"chemical_system":"N-W-Y","density":6.517845058404368,"density_atomic":0.062350105542143236,"volume":160.38465232814838,"volume_molar":9.658589520637712,"formula_full":"Y2 W2 N6","formula_reduced":"YWN3","formula_anonymous":"ABC3","energy":-100.79925512,"energy_per_atom":-10.079925511999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.63325512,"band_gap":1.4066999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014957,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.855000Z","spacegroup":11},{"id":"mp-1096267","created_at":"2022-09-04T14:42:51.534931Z","structure_string":"Ca1 Pb1 Au2\n1.0\n-5.546765 5.797597 9.138252\n5.546765 -5.797597 9.138252\n5.546765 5.797597 -9.138252\nCa Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.245413 0.245413 Au\n0.000000 0.754587 0.754587 Au\n","nsites":4,"nelements":3,"elements":["Ca","Pb","Au"],"chemical_system":"Au-Ca-Pb","density":0.9058144478480741,"density_atomic":0.003402899161285556,"volume":1175.4682729090537,"volume_molar":176.97088495931038,"formula_full":"Ca1 Pb1 Au2","formula_reduced":"CaPbAu2","formula_anonymous":"ABC2","energy":-9.04968026,"energy_per_atom":-2.262420065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.04968026,"band_gap":0.7689000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9942516,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.982000Z","spacegroup":71},{"id":"mp-675640","created_at":"2022-09-04T14:42:51.674833Z","structure_string":"Hg4 As2 F12\n1.0\n-3.413479 3.413479 7.015932\n3.413479 -3.413479 7.015932\n3.413479 3.413479 -7.015932\nHg As F\n4 2 12\ndirect\n0.875000 0.125000 0.250000 Hg\n0.875000 0.125000 0.750000 Hg\n0.875000 0.625000 0.750000 Hg\n0.375000 0.125000 0.250000 Hg\n0.500000 0.500000 0.000000 As\n0.250000 0.750000 0.500000 As\n0.684710 0.315290 0.000000 F\n0.315290 0.315290 0.630581 F\n0.374290 0.374290 0.000000 F\n0.124290 0.624290 0.500000 F\n0.315290 0.684710 0.000000 F\n0.684710 0.684710 0.369419 F\n0.065290 0.565290 0.130581 F\n0.434710 0.565290 0.500000 F\n0.625710 0.625710 0.000000 F\n0.375710 0.875710 0.500000 F\n0.434710 0.934710 0.869419 F\n0.065290 0.934710 0.500000 F\n","nsites":18,"nelements":3,"elements":["Hg","As","F"],"chemical_system":"As-F-Hg","density":5.99320317511946,"density_atomic":0.055046875344503594,"volume":326.99403712471195,"volume_molar":10.940022884698228,"formula_full":"Hg4 As2 F12","formula_reduced":"Hg2AsF6","formula_anonymous":"AB2C6","energy":-67.95782802,"energy_per_atom":-3.7754348899999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.41382802,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015877,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.295000Z","spacegroup":141},{"id":"mp-20055","created_at":"2022-09-04T14:42:51.676422Z","structure_string":"Np1 Sb1\n1.0\n3.940518 0.000000 0.000000\n0.000000 3.940518 0.000000\n0.000000 0.000000 3.292048\nNp Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Sb\n","nsites":2,"nelements":2,"elements":["Np","Sb"],"chemical_system":"Np-Sb","density":11.654142460387243,"density_atomic":0.039125257195784593,"volume":51.117874829343805,"volume_molar":15.39195187871847,"formula_full":"Np1 Sb1","formula_reduced":"NpSb","formula_anonymous":"AB","energy":-17.70571244,"energy_per_atom":-8.85285622,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.51371244,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.4058484,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.903000Z","spacegroup":123},{"id":"mp-1034483","created_at":"2022-09-04T14:42:51.525734Z","structure_string":"Sr1 Mg14 Nb1 O16\n1.0\n8.707699 0.000000 -0.000000\n0.000000 8.828701 0.000000\n-0.000000 0.000000 4.422612\nSr Mg Nb O\n1 14 1 16\ndirect\n0.000000 0.000000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.252523 0.500000 Mg\n0.000000 0.747477 0.500000 Mg\n0.500000 0.250273 0.500000 Mg\n0.500000 0.749727 0.500000 Mg\n0.260249 0.000000 0.500000 Mg\n0.256026 0.500000 0.500000 Mg\n0.739751 0.000000 0.500000 Mg\n0.743974 0.500000 0.500000 Mg\n0.258326 0.252602 0.000000 Mg\n0.258326 0.747398 -0.000000 Mg\n0.741674 0.252602 0.000000 Mg\n0.741674 0.747398 -0.000000 Mg\n0.000000 0.500000 -0.000000 Nb\n0.272478 0.000000 -0.000000 O\n0.262810 0.500000 0.000000 O\n0.727522 0.000000 0.000000 O\n0.737190 0.500000 -0.000000 O\n0.249015 0.250287 0.500000 O\n0.249015 0.749713 0.500000 O\n0.750985 0.250287 0.500000 O\n0.750985 0.749713 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.259229 -0.000000 O\n0.000000 0.740771 0.000000 O\n0.500000 0.253501 0.000000 O\n0.500000 0.746499 -0.000000 O\n","nsites":32,"nelements":4,"elements":["Sr","Mg","Nb","O"],"chemical_system":"Mg-Nb-O-Sr","density":3.7937775834277696,"density_atomic":0.09411761668726644,"volume":340.0001097172854,"volume_molar":6.398526622290427,"formula_full":"Sr1 Mg14 Nb1 O16","formula_reduced":"SrMg14NbO16","formula_anonymous":"ABC14D16","energy":-203.46114658,"energy_per_atom":-6.358160830625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.46914658,"band_gap":1.0058999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.8279215,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.955000Z","spacegroup":47},{"id":"mp-540566","created_at":"2022-09-04T14:42:51.542549Z","structure_string":"V8 Hg8 O28\n1.0\n3.694352 0.000000 0.000000\n0.000000 7.309318 0.000000\n0.000000 0.000000 21.888723\nV Hg O\n8 8 28\ndirect\n0.750000 0.022999 0.880857 V\n0.750000 0.522999 0.619143 V\n0.250000 0.977001 0.119143 V\n0.250000 0.477001 0.380857 V\n0.250000 0.196547 0.980432 V\n0.250000 0.696547 0.519568 V\n0.750000 0.803453 0.019568 V\n0.750000 0.303453 0.480432 V\n0.250000 0.272034 0.753576 Hg\n0.250000 0.772034 0.746424 Hg\n0.750000 0.727966 0.246424 Hg\n0.750000 0.227966 0.253576 Hg\n0.250000 0.465689 0.128512 Hg\n0.250000 0.965689 0.371488 Hg\n0.750000 0.534311 0.871488 Hg\n0.750000 0.034311 0.628512 Hg\n0.250000 0.529373 0.800356 O\n0.250000 0.029373 0.699644 O\n0.750000 0.470627 0.199644 O\n0.750000 0.970627 0.300356 O\n0.750000 0.864194 0.824185 O\n0.750000 0.364194 0.675815 O\n0.250000 0.135806 0.175815 O\n0.250000 0.635806 0.324185 O\n0.750000 0.225509 0.840030 O\n0.750000 0.725509 0.659970 O\n0.250000 0.774491 0.159970 O\n0.250000 0.274491 0.340030 O\n0.750000 0.121098 0.971747 O\n0.750000 0.621098 0.528253 O\n0.250000 0.878902 0.028253 O\n0.250000 0.378902 0.471747 O\n0.250000 0.029847 0.904057 O\n0.250000 0.529847 0.595943 O\n0.750000 0.970153 0.095943 O\n0.750000 0.470153 0.404057 O\n0.250000 0.399658 0.946652 O\n0.250000 0.899658 0.553348 O\n0.750000 0.600342 0.053348 O\n0.750000 0.100342 0.446652 O\n0.250000 0.236808 0.059131 O\n0.250000 0.736808 0.440869 O\n0.750000 0.763192 0.940869 O\n0.750000 0.263192 0.559131 O\n","nsites":44,"nelements":3,"elements":["V","Hg","O"],"chemical_system":"Hg-O-V","density":6.91178420404897,"density_atomic":0.07444184382583081,"volume":591.0654242114877,"volume_molar":8.08972541584248,"formula_full":"V8 Hg8 O28","formula_reduced":"V2Hg2O7","formula_anonymous":"A2B2C7","energy":-289.14478324000004,"energy_per_atom":-6.571472346363637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.30878324,"band_gap":1.0385000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007227,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.044000Z","spacegroup":62},{"id":"mp-1113981","created_at":"2022-09-04T14:42:51.546021Z","structure_string":"Rb2 Li1 Er1 Cl6\n1.0\n0.000000 5.221679 5.221679\n5.221679 0.000000 5.221679\n5.221679 5.221679 0.000000\nRb Li Er Cl\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 Li\n0.000000 0.000000 0.000000 Er\n0.749783 0.250217 0.250217 Cl\n0.250217 0.250217 0.749783 Cl\n0.250217 0.749783 0.749783 Cl\n0.250217 0.749783 0.250217 Cl\n0.749783 0.250217 0.749783 Cl\n0.749783 0.749783 0.250217 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Li","Er","Cl"],"chemical_system":"Cl-Er-Li-Rb","density":3.253185523303568,"density_atomic":0.03511878590816413,"volume":284.7478846834304,"volume_molar":17.14791842675866,"formula_full":"Rb2 Li1 Er1 Cl6","formula_reduced":"Rb2LiErCl6","formula_anonymous":"ABC2D6","energy":-44.19107751,"energy_per_atom":-4.419107751,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.50707751,"band_gap":5.211499999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.132000Z","spacegroup":225},{"id":"mp-11312","created_at":"2022-09-04T14:42:51.547204Z","structure_string":"V3 Cd1\n1.0\n3.932877 0.000000 0.000000\n0.000000 3.932877 0.000000\n0.000000 0.000000 3.932877\nV Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":2,"elements":["V","Cd"],"chemical_system":"Cd-V","density":7.240184878573233,"density_atomic":0.06575501768392124,"volume":60.831859543064205,"volume_molar":9.158450521522049,"formula_full":"V3 Cd1","formula_reduced":"V3Cd","formula_anonymous":"AB3","energy":-26.7138585,"energy_per_atom":-6.678464625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.7138585,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4484061,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.122000Z","spacegroup":221}]}