{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=96","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=94","results":[{"id":"mp-981262","created_at":"2022-09-04T14:47:01.139878Z","structure_string":"Yb2 F2\n1.0\n1.939348 -3.359050 0.000000\n1.939348 3.359050 0.000000\n0.000000 0.000000 6.209712\nYb F\n2 2\ndirect\n0.666667 0.333333 0.874988 Yb\n0.333333 0.666667 0.374988 Yb\n0.666667 0.333333 0.499505 F\n0.333333 0.666667 0.999505 F\n","nsites":4,"nelements":2,"elements":["Yb","F"],"chemical_system":"F-Yb","density":7.883036002617738,"density_atomic":0.049440894789024484,"volume":80.90468461521394,"volume_molar":12.180484972405617,"formula_full":"Yb2 F2","formula_reduced":"YbF","formula_anonymous":"AB","energy":-18.94265245,"energy_per_atom":-4.7356631125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.01865245,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9090384,"is_theoretical":true,"updated_at":"2021-11-28T01:37:53.182000Z","spacegroup":186},{"id":"mp-704535","created_at":"2022-09-04T14:47:01.140547Z","structure_string":"Tl4 Mo14 O44\n1.0\n2.826993 10.502941 0.000000\n-2.826993 10.502941 0.000000\n0.000000 9.730957 16.342757\nTl Mo O\n4 14 44\ndirect\n0.563491 0.147485 0.667190 Tl\n0.436509 0.852515 0.332810 Tl\n0.852515 0.436509 0.832810 Tl\n0.147485 0.563491 0.167190 Tl\n0.783005 0.280412 0.092715 Mo\n0.692801 0.974814 0.362379 Mo\n0.610684 0.389316 0.750000 Mo\n0.389316 0.610684 0.250000 Mo\n0.377395 0.989974 0.974375 Mo\n0.719588 0.216995 0.407285 Mo\n0.622605 0.010026 0.025625 Mo\n0.989974 0.377394 0.474375 Mo\n0.010026 0.622605 0.525625 Mo\n0.974814 0.692801 0.862379 Mo\n0.307199 0.025186 0.637621 Mo\n0.216995 0.719588 0.907285 Mo\n0.025186 0.307199 0.137621 Mo\n0.280412 0.783005 0.592715 Mo\n0.197627 0.057488 0.545420 O\n0.802373 0.942512 0.454580 O\n0.913114 0.727647 0.780905 O\n0.992572 0.944970 0.640884 O\n0.086886 0.272353 0.219095 O\n0.627616 0.221348 0.321025 O\n0.336753 0.014996 0.888625 O\n0.725763 0.122468 0.802373 O\n0.599749 0.859541 0.584201 O\n0.274237 0.877532 0.197627 O\n0.744281 0.314084 0.003737 O\n0.314084 0.744281 0.503737 O\n0.944970 0.992572 0.140884 O\n0.372384 0.778652 0.678975 O\n0.697325 0.549149 0.526549 O\n0.057488 0.197627 0.045420 O\n0.122468 0.725763 0.302373 O\n0.859541 0.599749 0.084201 O\n0.358741 0.086676 0.066777 O\n0.663247 0.985004 0.111375 O\n0.913324 0.641259 0.433223 O\n0.489994 0.466464 0.665426 O\n0.450851 0.302675 0.973451 O\n0.533536 0.510006 0.834574 O\n0.221348 0.627616 0.821025 O\n0.877532 0.274237 0.697627 O\n0.302675 0.450851 0.473451 O\n0.466464 0.489994 0.165426 O\n0.086676 0.358741 0.566777 O\n0.727647 0.913114 0.280905 O\n0.510006 0.533536 0.334574 O\n0.055030 0.007428 0.859116 O\n0.685916 0.255719 0.496263 O\n0.942512 0.802373 0.954580 O\n0.400251 0.140459 0.415799 O\n0.272353 0.086886 0.719095 O\n0.985004 0.663247 0.611375 O\n0.255719 0.685916 0.996263 O\n0.007428 0.055030 0.359116 O\n0.549149 0.697325 0.026549 O\n0.014996 0.336753 0.388625 O\n0.778652 0.372384 0.178975 O\n0.641259 0.913324 0.933223 O\n0.140459 0.400251 0.915799 O\n","nsites":62,"nelements":3,"elements":["Tl","Mo","O"],"chemical_system":"Mo-O-Tl","density":4.901536425546526,"density_atomic":0.06388526661867854,"volume":970.4898058901216,"volume_molar":9.426493898734499,"formula_full":"Tl4 Mo14 O44","formula_reduced":"Tl2Mo7O22","formula_anonymous":"A2B7C22","energy":-494.46240841,"energy_per_atom":-7.975200135645162,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-419.40640841,"band_gap":2.5276,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000472,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.806000Z","spacegroup":15},{"id":"mp-1247604","created_at":"2022-09-04T14:47:01.143891Z","structure_string":"Sr1 Ca7 Mn6 Cr2 O20\n1.0\n7.866110 -0.047582 0.097567\n-0.047666 7.858355 0.103647\n0.098909 0.104243 7.648177\nSr Ca Mn Cr O\n1 7 6 2 20\ndirect\n0.247027 0.257239 0.257015 Sr\n0.271659 0.281026 0.700386 Ca\n0.251764 0.731951 0.268607 Ca\n0.257105 0.719702 0.709953 Ca\n0.734233 0.254744 0.262308 Ca\n0.720168 0.262054 0.714727 Ca\n0.741157 0.745675 0.270295 Ca\n0.727862 0.733920 0.724636 Ca\n0.001068 0.000858 0.522150 Mn\n0.996734 0.489201 0.001141 Mn\n0.997586 0.507327 0.492923 Mn\n0.507510 0.000399 0.492707 Mn\n0.502886 0.505686 0.996778 Mn\n0.504727 0.504568 0.488790 Mn\n0.028329 0.018035 0.980362 Cr\n0.473995 0.996215 0.004385 Cr\n0.939637 0.927398 0.792554 O\n0.013410 0.532156 0.242660 O\n0.004613 0.521222 0.748648 O\n0.544806 0.013169 0.241588 O\n0.525469 0.999855 0.751787 O\n0.503295 0.507781 0.742679 O\n0.233319 0.956266 0.061624 O\n0.250440 0.003096 0.514777 O\n0.253619 0.510698 0.006986 O\n0.261545 0.502948 0.483855 O\n0.762819 0.006952 0.477151 O\n0.748409 0.515240 0.028740 O\n0.743643 0.501952 0.475341 O\n0.958571 0.217606 0.057810 O\n0.005538 0.249442 0.518785 O\n0.006913 0.763682 0.468702 O\n0.504823 0.255079 0.009063 O\n0.500915 0.262521 0.485348 O\n0.523714 0.750191 0.032559 O\n0.500691 0.744148 0.472181 O\n","nsites":36,"nelements":5,"elements":["Sr","Ca","Mn","Cr","O"],"chemical_system":"Ca-Cr-Mn-O-Sr","density":3.9415737330211287,"density_atomic":0.07617588465865983,"volume":472.59050762999505,"volume_molar":7.905573774410235,"formula_full":"Sr1 Ca7 Mn6 Cr2 O20","formula_reduced":"SrCa7Mn6Cr2O20","formula_anonymous":"AB2C6D7E20","energy":-278.57744814,"energy_per_atom":-7.738262448333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-250.83144814,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.9990699,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.341000Z","spacegroup":1},{"id":"mp-1210785","created_at":"2022-09-04T14:47:01.146714Z","structure_string":"Na6 Te2 As4 O28\n1.0\n-4.012236 -6.891274 0.013879\n-4.020312 6.895920 0.018637\n0.045940 -0.004021 -11.709317\nNa Te As O\n6 2 4 28\ndirect\n0.474847 0.524946 0.749721 Na\n0.049064 0.524455 0.749669 Na\n0.525171 0.475096 0.249882 Na\n0.951004 0.475338 0.250312 Na\n0.476035 0.951297 0.749849 Na\n0.524352 0.048851 0.249488 Na\n0.997411 0.004171 0.750127 Te\n0.001452 0.997803 0.249860 Te\n0.670567 0.334989 0.990835 As\n0.334263 0.665989 0.490409 As\n0.334614 0.665241 0.009467 As\n0.665823 0.330702 0.509652 As\n0.667403 0.332355 0.366440 O\n0.333001 0.667196 0.866451 O\n0.333794 0.667541 0.633613 O\n0.667630 0.332286 0.133763 O\n0.776769 0.983215 0.828765 O\n0.211244 0.221658 0.825413 O\n0.223188 0.014709 0.327293 O\n0.790875 0.009748 0.174541 O\n0.006058 0.790428 0.823507 O\n0.790945 0.780519 0.324728 O\n0.984811 0.776252 0.172380 O\n0.208849 0.992245 0.675984 O\n0.990996 0.209578 0.324850 O\n0.017075 0.223703 0.671438 O\n0.219041 0.209525 0.175474 O\n0.779995 0.788317 0.675642 O\n0.886503 0.375839 0.928614 O\n0.495636 0.127561 0.922159 O\n0.124628 0.631046 0.423630 O\n0.512033 0.625073 0.071115 O\n0.619216 0.504989 0.928725 O\n0.504896 0.883761 0.428661 O\n0.363380 0.871957 0.077858 O\n0.492673 0.376306 0.572134 O\n0.376417 0.490502 0.428266 O\n0.626619 0.114783 0.571160 O\n0.117586 0.493196 0.071884 O\n0.874137 0.506735 0.576242 O\n","nsites":40,"nelements":4,"elements":["Na","Te","As","O"],"chemical_system":"As-Na-O-Te","density":2.9217163377372892,"density_atomic":0.061693058696069385,"volume":648.3711595020737,"volume_molar":9.761455968114749,"formula_full":"Na6 Te2 As4 O28","formula_reduced":"Na3Te(AsO7)2","formula_anonymous":"AB2C3D14","energy":-212.03408304,"energy_per_atom":-5.300852076,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.79808304,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9994307,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.228000Z","spacegroup":5},{"id":"mp-1105518","created_at":"2022-09-04T14:47:01.297189Z","structure_string":"Ca4 Cr2 Os2 O12\n1.0\n4.598783 0.000000 1.628202\n0.000000 5.411549 0.000000\n5.296506 0.000000 12.263150\nCa Cr Os O\n4 2 2 12\ndirect\n0.464098 0.554191 0.257329 Ca\n0.964098 0.945809 0.757329 Ca\n0.535902 0.445809 0.742671 Ca\n0.035902 0.054191 0.242671 Ca\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.083593 0.711569 0.577579 O\n0.583593 0.788431 0.077579 O\n0.916407 0.288431 0.422421 O\n0.416407 0.211569 0.922421 O\n0.317356 0.726826 0.934528 O\n0.817356 0.773174 0.434528 O\n0.682644 0.273174 0.065472 O\n0.182644 0.226826 0.565472 O\n0.041150 0.454599 0.173930 O\n0.541150 0.045401 0.673930 O\n0.958850 0.545401 0.826070 O\n0.458850 0.954599 0.326070 O\n","nsites":20,"nelements":4,"elements":["Ca","Cr","Os","O"],"chemical_system":"Ca-Cr-O-Os","density":5.374714448488206,"density_atomic":0.07736364790443864,"volume":258.51935038927405,"volume_molar":7.784199586139845,"formula_full":"Ca4 Cr2 Os2 O12","formula_reduced":"Ca2CrOsO6","formula_anonymous":"ABC2D6","energy":-154.12003409,"energy_per_atom":-7.706001704499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.87803409,"band_gap":0.1724999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0002053,"is_theoretical":false,"updated_at":"2021-11-28T01:37:54.572000Z","spacegroup":14},{"id":"mp-16996","created_at":"2022-09-04T14:47:01.148482Z","structure_string":"Li12 Ga4 Si4 O20\n1.0\n4.905516 0.000000 0.000000\n0.000000 5.433221 0.000000\n0.000000 0.000000 15.742390\nLi Ga Si O\n12 4 4 20\ndirect\n0.499874 0.333204 0.407357 Li\n0.999874 0.666796 0.592643 Li\n0.999874 0.166796 0.907357 Li\n0.499874 0.833204 0.092643 Li\n0.503127 0.834843 0.504958 Li\n0.003127 0.165157 0.495042 Li\n0.003127 0.665157 0.004958 Li\n0.503127 0.334843 0.995042 Li\n0.500412 0.823720 0.695119 Li\n0.000412 0.176280 0.304881 Li\n0.000412 0.676280 0.195119 Li\n0.500412 0.323720 0.804881 Li\n0.499221 0.829202 0.300651 Ga\n0.999221 0.170798 0.699349 Ga\n0.999221 0.670798 0.800651 Ga\n0.499221 0.329202 0.199349 Ga\n0.004919 0.666002 0.402170 Si\n0.504919 0.333998 0.597830 Si\n0.504919 0.833998 0.902170 Si\n0.004919 0.166002 0.097830 Si\n0.596009 0.157554 0.296715 O\n0.162163 0.818083 0.894699 O\n0.162163 0.318083 0.605301 O\n0.662163 0.181917 0.105301 O\n0.103359 0.316207 0.014392 O\n0.603359 0.683793 0.985608 O\n0.603359 0.183793 0.514392 O\n0.103359 0.816207 0.485608 O\n0.101038 0.880234 0.101538 O\n0.601038 0.119766 0.898462 O\n0.601038 0.619766 0.601538 O\n0.101038 0.380234 0.398462 O\n0.116880 0.312245 0.186993 O\n0.616880 0.687755 0.813007 O\n0.616880 0.187755 0.686993 O\n0.116880 0.812245 0.313007 O\n0.096009 0.342446 0.796715 O\n0.596009 0.657554 0.203285 O\n0.662163 0.681917 0.394699 O\n0.096009 0.842446 0.703285 O\n","nsites":40,"nelements":4,"elements":["Li","Ga","Si","O"],"chemical_system":"Ga-Li-O-Si","density":3.144400938131675,"density_atomic":0.09533387737333207,"volume":419.5780251689341,"volume_molar":6.316894818425361,"formula_full":"Li12 Ga4 Si4 O20","formula_reduced":"Li3GaSiO5","formula_anonymous":"ABC3D5","energy":-263.21198987,"energy_per_atom":-6.580299746750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-249.47198987,"band_gap":3.5424,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007337,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.112000Z","spacegroup":33},{"id":"mp-1100888","created_at":"2022-09-04T14:47:01.159628Z","structure_string":"Zn6 Fe48 O72\n1.0\n5.263525 0.003187 3.041440\n1.755918 4.968373 3.044240\n0.073885 0.082846 54.614735\nZn Fe O\n6 48 72\ndirect\n0.997083 0.999602 0.000544 Zn\n0.246362 0.246293 0.029017 Zn\n0.005506 0.007135 0.109197 Zn\n0.002130 0.997004 0.222101 Zn\n0.999150 0.004309 0.776822 Zn\n0.000675 0.001631 0.888554 Zn\n0.129709 0.626641 0.068743 Fe\n0.624735 0.620865 0.014208 Fe\n0.252650 0.249277 0.138263 Fe\n0.625948 0.126445 0.069257 Fe\n0.124347 0.626414 0.180038 Fe\n0.627229 0.626098 0.068620 Fe\n0.626489 0.629024 0.124229 Fe\n0.248186 0.252472 0.250211 Fe\n0.627786 0.124812 0.179886 Fe\n0.998371 0.996273 0.333624 Fe\n0.118957 0.626839 0.292136 Fe\n0.627686 0.625775 0.180138 Fe\n0.628050 0.624380 0.235588 Fe\n0.249585 0.248073 0.361871 Fe\n0.995791 0.000864 0.444175 Fe\n0.622816 0.124921 0.292014 Fe\n0.125492 0.624988 0.402508 Fe\n0.624915 0.626595 0.292281 Fe\n0.622861 0.628066 0.347188 Fe\n0.254379 0.250459 0.472342 Fe\n0.623942 0.125924 0.402823 Fe\n0.125849 0.625467 0.513682 Fe\n0.623310 0.624532 0.403173 Fe\n0.625739 0.621638 0.458717 Fe\n0.625932 0.125421 0.513684 Fe\n0.250056 0.250007 0.583204 Fe\n0.999057 0.003225 0.666770 Fe\n0.123844 0.624134 0.625381 Fe\n0.626801 0.625787 0.512786 Fe\n0.628817 0.628248 0.568548 Fe\n0.000892 0.000888 0.555492 Fe\n0.624064 0.121804 0.625533 Fe\n0.250413 0.244441 0.695280 Fe\n0.624794 0.625349 0.625055 Fe\n0.124524 0.624782 0.735908 Fe\n0.618152 0.624675 0.681139 Fe\n0.254483 0.253847 0.804742 Fe\n0.623670 0.124628 0.736478 Fe\n0.124854 0.627316 0.846970 Fe\n0.624639 0.621734 0.736545 Fe\n0.630868 0.624287 0.791182 Fe\n0.247520 0.247091 0.917563 Fe\n0.626494 0.124260 0.847032 Fe\n0.625766 0.627486 0.846970 Fe\n0.117289 0.623950 0.959324 Fe\n0.627111 0.626637 0.902154 Fe\n0.623689 0.118153 0.959209 Fe\n0.623816 0.624485 0.959376 Fe\n0.380369 0.376775 0.044140 O\n0.376682 0.847054 0.044519 O\n0.387390 0.386411 0.093333 O\n0.847443 0.373904 0.044600 O\n0.385036 0.385643 0.154732 O\n0.406909 0.864287 0.096474 O\n0.864575 0.866036 0.045145 O\n0.382949 0.836304 0.155269 O\n0.862148 0.408886 0.096645 O\n0.380579 0.379387 0.206721 O\n0.835831 0.384805 0.154954 O\n0.861515 0.863297 0.096635 O\n0.375325 0.394687 0.263648 O\n0.408281 0.864425 0.207119 O\n0.865156 0.864698 0.155982 O\n0.864150 0.404806 0.207468 O\n0.383456 0.851382 0.264625 O\n0.377021 0.391052 0.317166 O\n0.857673 0.395835 0.263591 O\n0.863538 0.864542 0.207071 O\n0.388335 0.371184 0.375557 O\n0.384923 0.861942 0.318652 O\n0.876693 0.390374 0.317474 O\n0.868628 0.854926 0.267489 O\n0.388392 0.864273 0.375429 O\n0.395500 0.375853 0.427990 O\n0.856606 0.377725 0.376340 O\n0.884121 0.862496 0.318336 O\n0.379769 0.382161 0.486173 O\n0.392116 0.878576 0.428066 O\n0.867030 0.387774 0.428754 O\n0.855017 0.876338 0.376930 O\n0.384243 0.864186 0.487703 O\n0.383767 0.381649 0.540653 O\n0.867089 0.384122 0.487519 O\n0.864642 0.880308 0.428827 O\n0.382526 0.383598 0.598353 O\n0.392236 0.853078 0.542128 O\n0.865576 0.866976 0.487456 O\n0.853144 0.392155 0.542145 O\n0.376042 0.855413 0.597168 O\n0.375236 0.375085 0.650664 O\n0.855979 0.374407 0.597146 O\n0.863132 0.861635 0.543350 O\n0.388146 0.362540 0.709332 O\n0.386017 0.886583 0.651144 O\n0.875203 0.875033 0.599430 O\n0.392403 0.861523 0.709013 O\n0.882087 0.391495 0.651331 O\n0.394234 0.383983 0.759403 O\n0.859584 0.373717 0.710350 O\n0.878791 0.877016 0.650282 O\n0.381892 0.384338 0.822102 O\n0.405369 0.862996 0.763046 O\n0.862846 0.871620 0.710190 O\n0.845759 0.402953 0.764112 O\n0.384679 0.835843 0.821619 O\n0.378985 0.378661 0.873844 O\n0.838312 0.383874 0.821759 O\n0.849284 0.872604 0.763710 O\n0.386037 0.386070 0.930474 O\n0.407095 0.864109 0.873859 O\n0.864901 0.864501 0.822962 O\n0.863569 0.407542 0.873896 O\n0.385343 0.853560 0.930479 O\n0.387036 0.387163 0.982002 O\n0.853557 0.385211 0.930510 O\n0.863899 0.864165 0.873913 O\n0.401482 0.876400 0.982942 O\n0.865428 0.866343 0.933697 O\n0.876947 0.401897 0.982644 O\n0.871070 0.872364 0.983537 O\n","nsites":126,"nelements":3,"elements":["Zn","Fe","O"],"chemical_system":"Fe-O-Zn","density":4.920100724535945,"density_atomic":0.08836325993006555,"volume":1425.9320004685405,"volume_molar":6.815208905563441,"formula_full":"Zn6 Fe48 O72","formula_reduced":"Zn(Fe2O3)4","formula_anonymous":"AB8C12","energy":-975.38840045,"energy_per_atom":-7.741177781349206,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-817.63640045,"band_gap":0.4520999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":176.5610171,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.589000Z","spacegroup":1},{"id":"mp-975834","created_at":"2022-09-04T14:47:01.169136Z","structure_string":"Mo2 Ru6\n1.0\n2.757540 -4.776199 0.000000\n2.757540 4.776199 0.000000\n0.000000 0.000000 4.372838\nMo Ru\n2 6\ndirect\n0.666667 0.333333 0.250000 Mo\n0.333333 0.666667 0.750000 Mo\n0.833403 0.166597 0.750000 Ru\n0.333195 0.166597 0.750000 Ru\n0.833403 0.666805 0.750000 Ru\n0.166597 0.833403 0.250000 Ru\n0.666805 0.833403 0.250000 Ru\n0.166597 0.333195 0.250000 Ru\n","nsites":8,"nelements":2,"elements":["Mo","Ru"],"chemical_system":"Mo-Ru","density":11.508470490145957,"density_atomic":0.06945321733475203,"volume":115.18544866599105,"volume_molar":8.670787317129404,"formula_full":"Mo2 Ru6","formula_reduced":"MoRu3","formula_anonymous":"AB3","energy":-77.82641629,"energy_per_atom":-9.72830203625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.82641629,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005626,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.182000Z","spacegroup":194},{"id":"mp-764414","created_at":"2022-09-04T14:47:01.218148Z","structure_string":"K8 Li8 Ni4 O16\n1.0\n9.045524 0.000000 0.000000\n0.000000 5.465139 0.000000\n0.000000 4.165389 10.260238\nK Li Ni O\n8 8 4 16\ndirect\n0.500333 0.698239 0.643693 K\n0.248058 0.220079 0.137442 K\n0.000333 0.301761 0.856307 K\n0.748058 0.779921 0.362558 K\n0.251942 0.220079 0.637442 K\n0.999667 0.698239 0.143693 K\n0.751942 0.779921 0.862558 K\n0.499667 0.301761 0.356307 K\n0.246619 0.614678 0.811067 Li\n0.986983 0.654384 0.567314 Li\n0.486983 0.345616 0.932686 Li\n0.746619 0.385322 0.688933 Li\n0.253381 0.614678 0.311067 Li\n0.513017 0.654384 0.067314 Li\n0.013017 0.345616 0.432686 Li\n0.753381 0.385322 0.188933 Li\n0.214700 0.880073 0.449790 Ni\n0.714700 0.119927 0.050210 Ni\n0.285300 0.880073 0.949790 Ni\n0.785300 0.119927 0.550210 Ni\n0.188439 0.726204 0.626560 O\n0.796362 0.765162 0.613274 O\n0.572110 0.273619 0.115813 O\n0.885764 0.232521 0.092648 O\n0.296362 0.234838 0.886726 O\n0.688439 0.273796 0.873440 O\n0.385764 0.767479 0.407352 O\n0.072110 0.726381 0.384187 O\n0.927890 0.273619 0.615813 O\n0.614236 0.232521 0.592648 O\n0.311561 0.726204 0.126560 O\n0.703638 0.765162 0.113274 O\n0.114236 0.767479 0.907352 O\n0.427890 0.726381 0.884187 O\n0.203638 0.234838 0.386726 O\n0.811561 0.273796 0.373440 O\n","nsites":36,"nelements":4,"elements":["K","Li","Ni","O"],"chemical_system":"K-Li-Ni-O","density":2.8124804976359146,"density_atomic":0.07097577172297335,"volume":507.21533737614243,"volume_molar":8.484783770305606,"formula_full":"K8 Li8 Ni4 O16","formula_reduced":"K2Li2NiO4","formula_anonymous":"AB2C2D4","energy":-179.25028428000002,"energy_per_atom":-4.979174563333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.09428428,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9898867,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.797000Z","spacegroup":14},{"id":"mp-1016635","created_at":"2022-09-04T14:47:01.233061Z","structure_string":"Mg12 Cr2 Bi2\n1.0\n5.127833 0.000000 0.000000\n0.000000 6.438240 0.000000\n0.000000 0.000000 11.001120\nMg Cr Bi\n12 2 2\ndirect\n0.000000 0.239950 0.079793 Mg\n0.000000 0.760050 0.079793 Mg\n0.000000 0.500000 0.834210 Mg\n0.500000 0.246408 0.915053 Mg\n0.500000 0.753592 0.915053 Mg\n0.500000 0.500000 0.667841 Mg\n0.000000 0.739950 0.579793 Mg\n0.000000 0.260050 0.579793 Mg\n0.000000 0.000000 0.334210 Mg\n0.500000 0.746408 0.415053 Mg\n0.500000 0.253592 0.415053 Mg\n0.500000 0.000000 0.167841 Mg\n0.000000 0.500000 0.336912 Cr\n0.000000 0.000000 0.836912 Cr\n0.500000 0.500000 0.171345 Bi\n0.500000 0.000000 0.671345 Bi\n","nsites":16,"nelements":3,"elements":["Mg","Cr","Bi"],"chemical_system":"Bi-Cr-Mg","density":3.719880938971517,"density_atomic":0.04405366508680461,"volume":363.193390798998,"volume_molar":13.670010765582843,"formula_full":"Mg12 Cr2 Bi2","formula_reduced":"Mg6CrBi","formula_anonymous":"ABC6","energy":-44.60428832,"energy_per_atom":-2.78776802,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.60428832,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9922026,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.694000Z","spacegroup":38},{"id":"mp-29399","created_at":"2022-09-04T14:47:01.241504Z","structure_string":"Mn4 Ni2 O8\n1.0\n5.214759 0.000000 3.010742\n1.738253 4.916522 3.010742\n0.000000 0.000000 6.021485\nMn Ni O\n4 2 8\ndirect\n0.500000 0.000000 0.499999 Mn\n0.999999 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Mn\n0.125000 0.124999 0.125000 Ni\n0.875000 0.874999 0.875000 Ni\n0.744341 0.744340 0.744342 O\n0.255660 0.255658 0.733023 O\n0.255659 0.733022 0.255659 O\n0.733024 0.255658 0.255658 O\n0.744341 0.266978 0.744340 O\n0.266977 0.744340 0.744341 O\n0.255660 0.255658 0.255659 O\n0.744341 0.744340 0.266977 O\n","nsites":14,"nelements":3,"elements":["Mn","Ni","O"],"chemical_system":"Mn-Ni-O","density":5.003011647141353,"density_atomic":0.09068431935658477,"volume":154.38170677501404,"volume_molar":6.640774064058431,"formula_full":"Mn4 Ni2 O8","formula_reduced":"Mn2NiO4","formula_anonymous":"AB2C4","energy":-108.01410243,"energy_per_atom":-7.715293030714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.76410243,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.8624452,"is_theoretical":false,"updated_at":"2021-11-28T01:37:54.872000Z","spacegroup":227},{"id":"mp-1238781","created_at":"2022-09-04T14:46:57.543967Z","structure_string":"La4 Al2 O9\n1.0\n5.554378 -0.011653 0.617783\n-0.111748 6.418580 0.100761\n-1.396137 0.035876 7.347102\nLa Al O\n4 2 9\ndirect\n0.156477 0.860321 0.707477 La\n0.129403 0.672932 0.226976 La\n0.729796 0.415088 0.872417 La\n0.692371 0.162782 0.367169 La\n0.224528 0.340100 0.660192 Al\n0.221262 0.211927 0.089471 Al\n0.127076 0.204060 0.857062 O\n0.941966 0.391461 0.554991 O\n0.393703 0.572219 0.699963 O\n0.348559 0.978075 0.174299 O\n0.435379 0.151499 0.608557 O\n0.440872 0.410407 0.139020 O\n0.943864 0.876309 0.436107 O\n0.949907 0.313563 0.157752 O\n0.942128 0.705779 0.938822 O\n","nsites":15,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":4.679008901194217,"density_atomic":0.05608760872186933,"volume":267.4387505871915,"volume_molar":10.737025338097332,"formula_full":"La4 Al2 O9","formula_reduced":"La4Al2O9","formula_anonymous":"A2B4C9","energy":-126.00670756000002,"energy_per_atom":-8.400447170666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.82370756,"band_gap":3.5749000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014146,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.553000Z","spacegroup":1}]}