{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=30","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=28","results":[{"id":"oqmd-20596","created_at":"2022-09-04T15:00:35.802571Z","updated_at":"2022-09-04T15:00:35.802585Z","structure_string":"Li4 Be4 H12\n1.0\n4.543715 0.012573 0.050891\n-1.094329 6.181967 -0.003963\n-1.664714 -1.004200 5.545066\nBe H Li\n4 12 4\ndirect\n0.767940 0.878778 0.151279 Be\n0.618536 0.487094 0.174613 Be\n0.431625 0.743027 0.754067 Be\n0.282041 0.351480 0.777587 Be\n0.050987 0.995314 0.130700 H\n0.846282 0.667344 0.154230 H\n0.346694 0.525874 0.225042 H\n0.792412 0.382322 0.344876 H\n0.702458 0.966491 0.360333 H\n0.347441 0.264073 0.568369 H\n0.257724 0.847816 0.583738 H\n0.703531 0.704147 0.703764 H\n0.203601 0.562856 0.774232 H\n0.999088 0.234780 0.798139 H\n0.562942 0.335256 0.955017 H\n0.487076 0.894820 0.973660 H\n0.102442 0.278398 0.270190 Li\n0.301137 0.808883 0.288631 Li\n0.748770 0.420897 0.639881 Li\n0.947540 0.951510 0.658760 Li\n","nsites":20,"nelements":3,"elements":["Be","H","Li"],"chemical_system":"Be-H-Li","density":0.8059665947561307,"density_atomic":0.1278822725306298,"volume":156.3938425883829,"volume_molar":4.709128670322623,"formula_full":"Li4 Be4 H12","formula_reduced":"LiBeH3","formula_anonymous":"ABC3","formation_energy":-0.216218104810505,"spacegroup":2},{"id":"oqmd-1239579","created_at":"2022-09-04T15:40:49.626407Z","updated_at":"2022-09-04T15:40:49.626432Z","structure_string":"K2 Br4\n1.0\n5.252075 3.032287 8.576602\n-5.252075 3.032287 8.576602\n0.000000 -6.064574 8.576602\nBr K\n4 2\ndirect\n0.625000 0.625000 0.125000 Br\n0.625000 0.125000 0.625000 Br\n0.125000 0.625000 0.625000 Br\n0.625000 0.625000 0.625000 Br\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 K\n","nsites":6,"nelements":2,"elements":["Br","K"],"chemical_system":"Br-K","density":0.8060461377889834,"density_atomic":0.007321221051063382,"volume":819.5354242348031,"volume_molar":82.255961375805,"formula_full":"K2 Br4","formula_reduced":"KBr2","formula_anonymous":"AB2","formation_energy":-0.863293963277224,"spacegroup":227},{"id":"oqmd-1238530","created_at":"2022-09-04T15:40:46.344968Z","updated_at":"2022-09-04T15:40:46.344989Z","structure_string":"Ca4 Mn2\n1.0\n4.616565 2.665375 7.538820\n-4.616565 2.665375 7.538820\n0.000000 -5.330751 7.538820\nCa Mn\n4 2\ndirect\n0.375000 0.375000 0.375000 Ca\n0.875001 0.375000 0.375000 Ca\n0.375000 0.875001 0.375000 Ca\n0.375000 0.375000 0.875001 Ca\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n","nsites":6,"nelements":2,"elements":["Ca","Mn"],"chemical_system":"Ca-Mn","density":0.8060896507425807,"density_atomic":0.010780013309162438,"volume":556.585583702417,"volume_molar":55.86394550071196,"formula_full":"Ca4 Mn2","formula_reduced":"Ca2Mn","formula_anonymous":"AB2","formation_energy":1.5499995804023,"spacegroup":227},{"id":"oqmd-1602877","created_at":"2022-09-04T16:00:01.189118Z","updated_at":"2022-09-04T16:00:01.189152Z","structure_string":"K5 Be1\n1.0\n7.926614 0.000000 0.000000\n-3.963307 6.864649 0.000000\n0.000000 0.000000 7.713575\nBe K\n1 5\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.500000 K\n","nsites":6,"nelements":2,"elements":["Be","K"],"chemical_system":"Be-K","density":0.8090744312097777,"density_atomic":0.01429517570763152,"volume":419.7220183027819,"volume_molar":42.12708457151082,"formula_full":"K5 Be1","formula_reduced":"K5Be","formula_anonymous":"AB5","formation_energy":0.6486852925000003,"spacegroup":191},{"id":"oqmd-1237690","created_at":"2022-09-04T15:40:43.598553Z","updated_at":"2022-09-04T15:40:43.598562Z","structure_string":"Si4 Cl2\n1.0\n4.050453 2.338530 6.614362\n-4.050453 2.338530 6.614362\n0.000000 -4.677060 6.614362\nCl Si\n2 4\ndirect\n0.250000 0.250000 0.250000 Cl\n0.500001 0.500001 0.500001 Cl\n0.375001 0.375001 0.375001 Si\n0.874998 0.375001 0.375001 Si\n0.375001 0.874998 0.375001 Si\n0.375001 0.375001 0.874998 Si\n","nsites":6,"nelements":2,"elements":["Cl","Si"],"chemical_system":"Cl-Si","density":0.8094734106757934,"density_atomic":0.015961198448828456,"volume":375.91162212762265,"volume_molar":37.72987836287457,"formula_full":"Si4 Cl2","formula_reduced":"Si2Cl","formula_anonymous":"AB2","formation_energy":1.68630864479363,"spacegroup":227},{"id":"oqmd-1237736","created_at":"2022-09-04T15:40:43.228880Z","updated_at":"2022-09-04T15:40:43.228905Z","structure_string":"Be4 P2\n1.0\n3.287510 1.898045 5.368481\n-3.287510 1.898045 5.368481\n0.000000 -3.796089 5.368481\nBe P\n4 2\ndirect\n0.625000 0.625000 0.125000 Be\n0.625000 0.125000 0.625000 Be\n0.125000 0.625000 0.625000 Be\n0.625000 0.625000 0.625000 Be\n0.500000 0.500000 0.500000 P\n0.750001 0.750001 0.750001 P\n","nsites":6,"nelements":2,"elements":["Be","P"],"chemical_system":"Be-P","density":0.8096221504154221,"density_atomic":0.029852112429159968,"volume":200.9908013792389,"volume_molar":20.173248289516316,"formula_full":"Be4 P2","formula_reduced":"Be2P","formula_anonymous":"AB2","formation_energy":0.725888505346688,"spacegroup":227},{"id":"oqmd-1236932","created_at":"2022-09-04T15:40:29.815893Z","updated_at":"2022-09-04T15:40:29.815918Z","structure_string":"Tm2 Mg4\n1.0\n5.402684 3.119241 8.822545\n-5.402684 3.119241 8.822545\n0.000000 -6.238482 8.822545\nMg Tm\n4 2\ndirect\n0.625000 0.625000 0.125000 Mg\n0.625000 0.125000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.499999 0.499999 0.499999 Tm\n0.750000 0.750000 0.750000 Tm\n","nsites":6,"nelements":2,"elements":["Mg","Tm"],"chemical_system":"Mg-Tm","density":0.8098843225915302,"density_atomic":0.0067258568614382945,"volume":892.0796448107768,"volume_molar":89.53715316968835,"formula_full":"Tm2 Mg4","formula_reduced":"TmMg2","formula_anonymous":"AB2","formation_energy":1.69134147388889,"spacegroup":227},{"id":"oqmd-1236739","created_at":"2022-09-04T15:40:28.487204Z","updated_at":"2022-09-04T15:40:28.487245Z","structure_string":"H4 Cl2\n1.0\n3.004643 1.734731 4.906561\n-3.004643 1.734731 4.906561\n0.000000 -3.469463 4.906561\nCl H\n2 4\ndirect\n0.000000 0.000000 0.000000 Cl\n0.250000 0.250000 0.250000 Cl\n0.125000 0.125000 0.125000 H\n0.625001 0.125000 0.125000 H\n0.125000 0.625001 0.125000 H\n0.125000 0.125000 0.625001 H\n","nsites":6,"nelements":2,"elements":["Cl","H"],"chemical_system":"Cl-H","density":0.8109540567200789,"density_atomic":0.039101885200323844,"volume":153.44528708171615,"volume_molar":15.40115196274507,"formula_full":"H4 Cl2","formula_reduced":"H2Cl","formula_anonymous":"AB2","formation_energy":0.784996058337509,"spacegroup":227},{"id":"oqmd-1238503","created_at":"2022-09-04T15:40:46.149119Z","updated_at":"2022-09-04T15:40:46.149131Z","structure_string":"K4 Ru2\n1.0\n5.062011 2.922553 8.266229\n-5.062011 2.922553 8.266229\n0.000000 -5.845107 8.266229\nK Ru\n4 2\ndirect\n0.625000 0.625000 0.125000 K\n0.625000 0.125000 0.625000 K\n0.125000 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":6,"nelements":2,"elements":["K","Ru"],"chemical_system":"K-Ru","density":0.8113986151439444,"density_atomic":0.00817724552351836,"volume":733.743408185991,"volume_molar":73.6451014303029,"formula_full":"K4 Ru2","formula_reduced":"K2Ru","formula_anonymous":"AB2","formation_energy":1.67076321,"spacegroup":227},{"id":"oqmd-1343318","created_at":"2022-09-04T15:45:57.622054Z","updated_at":"2022-09-04T15:45:57.622070Z","structure_string":"K4 S2\n1.0\n0.000000 6.087759 6.087759\n6.087759 0.000000 6.087759\n6.087759 6.087759 0.000000\nK S\n4 2\ndirect\n0.125000 0.125000 0.125000 K\n0.625000 0.125000 0.125000 K\n0.125000 0.625000 0.125000 K\n0.125000 0.125000 0.625000 K\n0.000000 0.000000 0.000000 S\n0.250000 0.250000 0.250000 S\n","nsites":6,"nelements":2,"elements":["K","S"],"chemical_system":"K-S","density":0.8115233745330254,"density_atomic":0.013296854008531414,"volume":451.23455489173085,"volume_molar":45.289966755565835,"formula_full":"K4 S2","formula_reduced":"K2S","formula_anonymous":"AB2","formation_energy":-0.855870908004452,"spacegroup":227},{"id":"oqmd-1238028","created_at":"2022-09-04T15:40:43.914281Z","updated_at":"2022-09-04T15:40:43.914303Z","structure_string":"Y2 Si4\n1.0\n4.715954 2.722758 7.701121\n-4.715954 2.722758 7.701121\n0.000000 -5.445515 7.701121\nSi Y\n4 2\ndirect\n0.624999 0.624999 0.125000 Si\n0.624999 0.125000 0.624999 Si\n0.125000 0.624999 0.624999 Si\n0.624999 0.624999 0.624999 Si\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Y\n","nsites":6,"nelements":2,"elements":["Si","Y"],"chemical_system":"Si-Y","density":0.812069993123034,"density_atomic":0.010112708831041947,"volume":593.3128403323958,"volume_molar":59.55022398661821,"formula_full":"Y2 Si4","formula_reduced":"YSi2","formula_anonymous":"AB2","formation_energy":1.78647777666667,"spacegroup":227},{"id":"oqmd-1238194","created_at":"2022-09-04T15:40:45.941006Z","updated_at":"2022-09-04T15:40:45.941034Z","structure_string":"Mg4 Mo2\n1.0\n4.709112 2.718807 7.689948\n-4.709112 2.718807 7.689948\n0.000000 -5.437615 7.689948\nMg Mo\n4 2\ndirect\n0.625000 0.625000 0.124999 Mg\n0.625000 0.124999 0.625000 Mg\n0.124999 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.500000 0.500000 0.500000 Mo\n0.750000 0.750000 0.750000 Mo\n","nsites":6,"nelements":2,"elements":["Mg","Mo"],"chemical_system":"Mg-Mo","density":0.8126528884495576,"density_atomic":0.010156852476558377,"volume":590.7341879630297,"volume_molar":59.29140719429438,"formula_full":"Mg4 Mo2","formula_reduced":"Mg2Mo","formula_anonymous":"AB2","formation_energy":2.20615968722222,"spacegroup":227}]}