{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=12156","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=12154","results":[{"id":"mp-865091","created_at":"2022-09-04T14:46:03.475691Z","structure_string":"Hf1 Mn1 Rh2\n1.0\n0.000000 3.168373 3.168373\n3.168373 0.000000 3.168373\n3.168373 3.168373 0.000000\nHf Mn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n","nsites":4,"nelements":3,"elements":["Hf","Mn","Rh"],"chemical_system":"Hf-Mn-Rh","density":11.465978664978467,"density_atomic":0.06288123816089193,"volume":63.611978977979824,"volume_molar":9.577007285688886,"formula_full":"Hf1 Mn1 Rh2","formula_reduced":"HfMnRh2","formula_anonymous":"ABC2","energy":-36.4766374,"energy_per_atom":-9.11915935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.4766374,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.7874994,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.044000Z","spacegroup":225},{"id":"mp-2399","created_at":"2022-09-04T14:46:03.822005Z","structure_string":"Y1 Hg1\n1.0\n3.732643 0.000000 0.000000\n0.000000 3.732643 0.000000\n0.000000 0.000000 3.732643\nY Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Hg\n","nsites":2,"nelements":2,"elements":["Y","Hg"],"chemical_system":"Hg-Y","density":9.243619825613532,"density_atomic":0.03845746302823232,"volume":52.00551056973685,"volume_molar":15.659225247331154,"formula_full":"Y1 Hg1","formula_reduced":"YHg","formula_anonymous":"AB","energy":-7.80271002,"energy_per_atom":-3.90135501,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.80271002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002501,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.464000Z","spacegroup":221},{"id":"mp-1221185","created_at":"2022-09-04T14:46:03.829457Z","structure_string":"Na14 Si102\n1.0\n5.218249 9.036422 0.000000\n-5.218249 9.036422 0.000000\n0.000000 0.009525 25.610324\nNa Si\n14 102\ndirect\n0.333329 0.333329 0.041680 Na\n0.666666 0.666666 0.708365 Na\n0.000018 0.000018 0.374999 Na\n0.666671 0.666671 0.958320 Na\n0.999982 0.999982 0.625001 Na\n0.333334 0.333334 0.291635 Na\n0.833327 0.833327 0.166678 Na\n0.166673 0.166673 0.833322 Na\n0.166670 0.666691 0.833307 Na\n0.500000 0.000000 0.500000 Na\n0.833330 0.333309 0.166693 Na\n0.666691 0.166670 0.833307 Na\n0.000000 0.500000 0.500000 Na\n0.333309 0.833330 0.166693 Na\n0.000016 0.000016 0.125034 Si\n0.333337 0.333337 0.791710 Si\n0.666232 0.666232 0.458405 Si\n0.999984 0.999984 0.874966 Si\n0.333768 0.333768 0.541595 Si\n0.666663 0.666663 0.208290 Si\n0.081087 0.459463 0.912340 Si\n0.414458 0.792602 0.578928 Si\n0.747878 0.126102 0.245617 Si\n0.328394 0.950975 0.042868 Si\n0.661882 0.284319 0.709331 Si\n0.995407 0.617742 0.376274 Si\n0.328385 0.720666 0.042855 Si\n0.661804 0.054086 0.709553 Si\n0.994424 0.387343 0.376346 Si\n0.929369 0.535268 0.835131 Si\n0.262832 0.868432 0.501809 Si\n0.596200 0.201814 0.168464 Si\n0.950905 0.720791 0.042865 Si\n0.284298 0.053923 0.709548 Si\n0.617471 0.387711 0.376372 Si\n0.459411 0.459411 0.912313 Si\n0.792413 0.792413 0.578966 Si\n0.126085 0.126085 0.245612 Si\n0.535306 0.535306 0.835057 Si\n0.869139 0.869139 0.501787 Si\n0.201930 0.201930 0.168451 Si\n0.720791 0.950905 0.042865 Si\n0.053923 0.284298 0.709548 Si\n0.387711 0.617471 0.376372 Si\n0.950975 0.328394 0.042868 Si\n0.284319 0.661882 0.709331 Si\n0.617742 0.995407 0.376274 Si\n0.535268 0.929369 0.835131 Si\n0.868432 0.262832 0.501809 Si\n0.201814 0.596200 0.168464 Si\n0.459463 0.081087 0.912340 Si\n0.792602 0.414458 0.578928 Si\n0.126102 0.747878 0.245617 Si\n0.720666 0.328385 0.042855 Si\n0.054086 0.661804 0.709553 Si\n0.387343 0.994424 0.376346 Si\n0.918913 0.540537 0.087660 Si\n0.252122 0.873898 0.754383 Si\n0.585542 0.207398 0.421072 Si\n0.671606 0.049025 0.957132 Si\n0.004593 0.382258 0.623726 Si\n0.338118 0.715681 0.290669 Si\n0.671615 0.279334 0.957145 Si\n0.005576 0.612657 0.623654 Si\n0.338196 0.945914 0.290447 Si\n0.070631 0.464732 0.164869 Si\n0.403800 0.798186 0.831536 Si\n0.737168 0.131568 0.498191 Si\n0.049095 0.279209 0.957135 Si\n0.382529 0.612289 0.623628 Si\n0.715702 0.946077 0.290452 Si\n0.540589 0.540589 0.087687 Si\n0.873915 0.873915 0.754388 Si\n0.207587 0.207587 0.421034 Si\n0.464694 0.464694 0.164943 Si\n0.798070 0.798070 0.831549 Si\n0.130861 0.130861 0.498213 Si\n0.279209 0.049095 0.957135 Si\n0.612289 0.382529 0.623628 Si\n0.946077 0.715702 0.290452 Si\n0.049025 0.671606 0.957132 Si\n0.382258 0.004593 0.623726 Si\n0.715681 0.338118 0.290669 Si\n0.464732 0.070631 0.164869 Si\n0.798186 0.403800 0.831536 Si\n0.131568 0.737168 0.498191 Si\n0.540537 0.918913 0.087660 Si\n0.873898 0.252122 0.754383 Si\n0.207398 0.585542 0.421072 Si\n0.279334 0.671615 0.957145 Si\n0.612657 0.005576 0.623654 Si\n0.945914 0.338196 0.290447 Si\n0.333315 0.333315 0.884323 Si\n0.666434 0.666434 0.550886 Si\n0.000004 0.000004 0.217706 Si\n0.124676 0.124676 0.093784 Si\n0.458021 0.458021 0.760416 Si\n0.790827 0.790827 0.427164 Si\n0.124576 0.750626 0.093751 Si\n0.458012 0.083807 0.760402 Si\n0.790716 0.417697 0.427160 Si\n0.750626 0.124576 0.093751 Si\n0.083807 0.458012 0.760402 Si\n0.417697 0.790716 0.427160 Si\n0.666685 0.666685 0.115677 Si\n0.999996 0.999996 0.782294 Si\n0.333566 0.333566 0.449114 Si\n0.875324 0.875324 0.906216 Si\n0.209173 0.209173 0.572836 Si\n0.541979 0.541979 0.239584 Si\n0.875424 0.249374 0.906249 Si\n0.209284 0.582303 0.572840 Si\n0.541988 0.916193 0.239598 Si\n0.249374 0.875424 0.906249 Si\n0.582303 0.209284 0.572840 Si\n0.916193 0.541988 0.239598 Si\n","nsites":116,"nelements":2,"elements":["Na","Si"],"chemical_system":"Na-Si","density":2.1908227812750107,"density_atomic":0.048027681062290065,"volume":2415.273805319737,"volume_molar":12.538895542738185,"formula_full":"Na14 Si102","formula_reduced":"Na7Si51","formula_anonymous":"A7B51","energy":-563.67332594,"energy_per_atom":-4.859252809827587,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-570.91532594,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1984322,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.266000Z","spacegroup":12},{"id":"mp-686204","created_at":"2022-09-04T14:46:03.116754Z","structure_string":"K6 Ba4 Pr4 Bi6 O30\n1.0\n5.444279 -0.000007 3.143271\n1.814760 5.132905 3.143258\n0.020413 0.014356 31.397357\nK Ba Pr Bi O\n6 4 4 6 30\ndirect\n0.256209 0.256216 0.046273 K\n0.251190 0.251193 0.249286 K\n0.748838 0.748842 0.550697 K\n0.246816 0.246811 0.851912 K\n0.743769 0.743781 0.753732 K\n0.753074 0.753077 0.948154 K\n0.755077 0.755073 0.146954 Ba\n0.249215 0.249215 0.450471 Ba\n0.750654 0.750657 0.349607 Ba\n0.245129 0.245132 0.652922 Ba\n0.507166 0.507165 0.095700 Pr\n0.503114 0.503115 0.298131 Pr\n0.496622 0.496624 0.502022 Pr\n0.493100 0.493098 0.704141 Pr\n0.004430 0.004430 0.997342 Bi\n0.002763 0.002762 0.198343 Bi\n-0.000050 -0.000051 0.400030 Bi\n0.997350 0.997350 0.601590 Bi\n0.995522 0.995522 0.802687 Bi\n0.499968 0.499967 0.900020 Bi\n0.241652 0.241651 0.151059 O\n0.229196 0.767429 0.047189 O\n0.767430 0.229196 0.047189 O\n0.241651 0.761403 0.151058 O\n0.239344 0.239344 0.354498 O\n0.236306 0.764125 0.247088 O\n0.761404 0.241652 0.151059 O\n0.767429 0.767428 0.047189 O\n0.764126 0.236306 0.247088 O\n0.239345 0.748822 0.354498 O\n0.235817 0.235819 0.552935 O\n0.251068 0.760740 0.445491 O\n0.748824 0.239343 0.354498 O\n0.764126 0.764126 0.247088 O\n0.760740 0.251068 0.445491 O\n0.235818 0.763690 0.552935 O\n0.232506 0.232504 0.752811 O\n0.238453 0.758444 0.648932 O\n0.763692 0.235816 0.552935 O\n0.760740 0.760741 0.445490 O\n0.758444 0.238453 0.648932 O\n0.232504 0.770935 0.752811 O\n0.252537 0.252534 0.948453 O\n0.247433 0.747438 0.851538 O\n0.770935 0.232502 0.752811 O\n0.758445 0.758444 0.648932 O\n0.747440 0.247433 0.851538 O\n0.252537 0.752661 0.948454 O\n0.752661 0.252535 0.948454 O\n0.747439 0.747438 0.851539 O\n","nsites":50,"nelements":5,"elements":["K","Ba","Pr","Bi","O"],"chemical_system":"Ba-Bi-K-O-Pr","density":5.835034511201977,"density_atomic":0.057018694887032144,"volume":876.9053746155032,"volume_molar":10.561695198270185,"formula_full":"K6 Ba4 Pr4 Bi6 O30","formula_reduced":"K3Ba2Pr2(BiO5)3","formula_anonymous":"A2B2C3D3E15","energy":-312.73056684,"energy_per_atom":-6.2546113368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-292.12056684,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.1877346,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.049000Z","spacegroup":166},{"id":"mp-777763","created_at":"2022-09-04T14:46:03.119589Z","structure_string":"Mn12 O2 F22\n1.0\n4.961694 0.000000 0.000000\n-0.084973 5.890368 0.000000\n-0.094288 -0.074758 16.235217\nMn O F\n12 2 22\ndirect\n0.005972 0.832861 0.252126 Mn\n0.028147 0.183439 0.416194 Mn\n0.971853 0.816561 0.583806 Mn\n0.006922 0.828539 0.915383 Mn\n0.993078 0.171461 0.084617 Mn\n0.994028 0.167139 0.747874 Mn\n0.497561 0.667317 0.084458 Mn\n0.512388 0.668366 0.743294 Mn\n0.490592 0.647621 0.414650 Mn\n0.509408 0.352379 0.585350 Mn\n0.487612 0.331634 0.256706 Mn\n0.502439 0.332683 0.915542 Mn\n0.292511 0.410734 0.365717 O\n0.707489 0.589266 0.634283 O\n0.242548 0.897243 0.363443 F\n0.229335 0.894990 0.026642 F\n0.210566 0.883332 0.691819 F\n0.239801 0.124805 0.533365 F\n0.233087 0.104678 0.193219 F\n0.226506 0.108781 0.857781 F\n0.270400 0.615362 0.521641 F\n0.265641 0.605766 0.193229 F\n0.266689 0.394517 0.024759 F\n0.280792 0.610639 0.854002 F\n0.271332 0.379831 0.687438 F\n0.729600 0.384638 0.478359 F\n0.728668 0.620169 0.312562 F\n0.719208 0.389361 0.145998 F\n0.734359 0.394234 0.806771 F\n0.733311 0.605483 0.975241 F\n0.760199 0.875195 0.466635 F\n0.773494 0.891219 0.142219 F\n0.789434 0.116668 0.308181 F\n0.757452 0.102757 0.636557 F\n0.766913 0.895322 0.806781 F\n0.770665 0.105010 0.973358 F\n","nsites":36,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":3.8818287193455263,"density_atomic":0.07587033437979655,"volume":474.49375693784225,"volume_molar":7.937411650058091,"formula_full":"Mn12 O2 F22","formula_reduced":"Mn6OF11","formula_anonymous":"AB6C11","energy":-263.83724068,"energy_per_atom":-7.328812241111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-232.28324068,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":58.0006308,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.423000Z","spacegroup":2},{"id":"mp-1225484","created_at":"2022-09-04T14:45:59.712649Z","structure_string":"Er1 V2 Fe10 N1\n1.0\n0.000000 0.000000 4.710147\n-4.277261 4.289039 2.355073\n-4.277261 -4.289039 -2.355073\nEr V Fe N\n1 2 10 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.357182 0.357182 V\n0.000000 0.642818 0.642818 V\n0.724922 0.775078 0.224922 Fe\n0.275078 0.224922 0.775078 Fe\n0.500000 0.777045 0.777045 Fe\n0.500000 0.222955 0.222955 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.640480 0.359520 0.640480 Fe\n0.359520 0.640480 0.359520 Fe\n0.500000 0.000000 0.000000 N\n","nsites":14,"nelements":4,"elements":["Er","V","Fe","N"],"chemical_system":"Er-Fe-N-V","density":8.086562533275751,"density_atomic":0.08100985065621066,"volume":172.81848919106338,"volume_molar":7.433837627422301,"formula_full":"Er1 V2 Fe10 N1","formula_reduced":"ErV2Fe10N","formula_anonymous":"ABC2D10","energy":-118.47330744,"energy_per_atom":-8.462379102857144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.11230744,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0392934,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.587000Z","spacegroup":71},{"id":"mp-1215869","created_at":"2022-09-04T14:45:59.688822Z","structure_string":"Yb4 Cd2 Pd6\n1.0\n2.405874 -4.167096 0.000000\n2.405874 4.167096 0.000000\n0.000000 0.000000 11.682908\nYb Cd Pd\n4 2 6\ndirect\n0.000000 0.000000 0.500000 Yb\n0.333333 0.666667 0.178267 Yb\n0.666667 0.333333 0.821733 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.665552 Cd\n0.666667 0.333333 0.334448 Cd\n0.333333 0.666667 0.420894 Pd\n0.666667 0.333333 0.086329 Pd\n0.000000 0.000000 0.747631 Pd\n0.000000 0.000000 0.252369 Pd\n0.333333 0.666667 0.913671 Pd\n0.666667 0.333333 0.579106 Pd\n","nsites":12,"nelements":3,"elements":["Yb","Cd","Pd"],"chemical_system":"Cd-Pd-Yb","density":11.026364233248332,"density_atomic":0.051226408585728446,"volume":234.25417340975122,"volume_molar":11.755930049091427,"formula_full":"Yb4 Cd2 Pd6","formula_reduced":"Yb2CdPd3","formula_anonymous":"AB2C3","energy":-47.93939624,"energy_per_atom":-3.9949496866666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.93939624,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007368,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.304000Z","spacegroup":164},{"id":"mp-20777","created_at":"2022-09-04T14:45:59.692069Z","structure_string":"Sm4 Co4 Ge4\n1.0\n4.356740 0.000000 0.000000\n0.000000 7.007221 0.000000\n0.000000 0.000000 7.191883\nSm Co Ge\n4 4 4\ndirect\n0.250000 0.687698 0.977667 Sm\n0.750000 0.312302 0.022333 Sm\n0.750000 0.187698 0.522333 Sm\n0.250000 0.812302 0.477667 Sm\n0.750000 0.567824 0.356447 Co\n0.750000 0.932176 0.856447 Co\n0.250000 0.067824 0.143553 Co\n0.250000 0.432176 0.643553 Co\n0.750000 0.606646 0.694547 Ge\n0.750000 0.893354 0.194547 Ge\n0.250000 0.106646 0.805453 Ge\n0.250000 0.393354 0.305453 Ge\n","nsites":12,"nelements":3,"elements":["Sm","Co","Ge"],"chemical_system":"Co-Ge-Sm","density":8.529139749262525,"density_atomic":0.05465516057751223,"volume":219.5584071696494,"volume_molar":11.01843027514185,"formula_full":"Sm4 Co4 Ge4","formula_reduced":"SmCoGe","formula_anonymous":"ABC","energy":-73.00736755,"energy_per_atom":-6.083947295833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.00736755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001543,"is_theoretical":false,"updated_at":"2021-11-28T01:37:16.392000Z","spacegroup":62},{"id":"mp-1225686","created_at":"2022-09-04T14:46:03.652110Z","structure_string":"Dy1 Ga1 Co4\n1.0\n2.446796 -4.342976 0.000000\n2.446796 4.342976 0.000000\n0.000000 0.000000 4.012869\nDy Ga Co\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.500000 Ga\n0.183968 0.816032 0.000000 Co\n0.816032 0.183968 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n","nsites":6,"nelements":3,"elements":["Dy","Ga","Co"],"chemical_system":"Co-Dy-Ga","density":9.111371278130951,"density_atomic":0.07035275047461226,"volume":85.28451211250342,"volume_molar":8.559922276490344,"formula_full":"Dy1 Ga1 Co4","formula_reduced":"DyGaCo4","formula_anonymous":"ABC4","energy":-37.48667783,"energy_per_atom":-6.247779638333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.48667783,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0767072,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.797000Z","spacegroup":65},{"id":"mp-1187953","created_at":"2022-09-04T14:46:03.907204Z","structure_string":"Yb3 Pb1\n1.0\n4.996544 0.000000 0.000000\n0.000000 4.996544 0.000000\n0.000000 0.000000 4.996544\nYb Pb\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Pb\n","nsites":4,"nelements":2,"elements":["Yb","Pb"],"chemical_system":"Pb-Yb","density":9.668697034310666,"density_atomic":0.03206644703521045,"volume":124.74097911776175,"volume_molar":18.780193369684547,"formula_full":"Yb3 Pb1","formula_reduced":"Yb3Pb","formula_anonymous":"AB3","energy":-9.7865504,"energy_per_atom":-2.4466376,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.7865504,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010956,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.796000Z","spacegroup":221},{"id":"mp-1206209","created_at":"2022-09-04T14:46:03.161371Z","structure_string":"Tb1 In5 Co1\n1.0\n4.591865 0.000000 0.000000\n0.000000 4.591865 0.000000\n0.000000 0.000000 7.505672\nTb In Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.306830 In\n0.000000 0.500000 0.693170 In\n0.500000 0.000000 0.306830 In\n0.500000 0.000000 0.693170 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 Co\n","nsites":7,"nelements":3,"elements":["Tb","In","Co"],"chemical_system":"Co-In-Tb","density":8.309564403924645,"density_atomic":0.044231354144869416,"volume":158.2587767282264,"volume_molar":13.615094713754164,"formula_full":"Tb1 In5 Co1","formula_reduced":"TbIn5Co","formula_anonymous":"ABC5","energy":-27.18770906,"energy_per_atom":-3.8839584371428573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.18770906,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000198,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.092000Z","spacegroup":123},{"id":"mp-1095627","created_at":"2022-09-04T14:46:03.166324Z","structure_string":"Th2 V2 B8\n1.0\n3.733209 -4.808824 0.000000\n3.733209 4.808824 0.000000\n0.000000 0.000000 3.669692\nTh V B\n2 2 8\ndirect\n0.301796 0.698204 0.000000 Th\n0.698204 0.301796 0.000000 Th\n0.162371 0.162371 0.000000 V\n0.837629 0.837629 0.000000 V\n0.375625 0.067425 0.500000 B\n0.624375 0.932575 0.500000 B\n0.067425 0.375625 0.500000 B\n0.932575 0.624375 0.500000 B\n0.367294 0.367294 0.500000 B\n0.632706 0.632706 0.500000 B\n0.089174 0.910826 0.500000 B\n0.910826 0.089174 0.500000 B\n","nsites":12,"nelements":3,"elements":["Th","V","B"],"chemical_system":"B-Th-V","density":8.222684340383076,"density_atomic":0.09107526606590961,"volume":131.75915392128314,"volume_molar":6.612268094437275,"formula_full":"Th2 V2 B8","formula_reduced":"ThVB4","formula_anonymous":"ABC4","energy":-94.47561324,"energy_per_atom":-7.87296777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.47561324,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0298914,"is_theoretical":false,"updated_at":"2021-11-28T01:37:15.496000Z","spacegroup":65}]}