{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-density_atomic&page=42","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-density_atomic&page=40","results":[{"id":"oqmd-349565","created_at":"2022-09-04T15:16:00.256083Z","updated_at":"2022-09-04T15:16:00.256109Z","structure_string":"Mo1 H3\n1.0\n2.893981 0.000000 0.000000\n0.000000 2.893981 0.000000\n0.000000 0.000000 2.893981\nH Mo\n3 1\ndirect\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Mo\n","nsites":4,"nelements":2,"elements":["H","Mo"],"chemical_system":"H-Mo","density":6.780137816896312,"density_atomic":0.1650338247640764,"volume":24.237455598682196,"volume_molar":3.6490342319878564,"formula_full":"Mo1 H3","formula_reduced":"MoH3","formula_anonymous":"AB3","formation_energy":0.320913553361868,"spacegroup":221},{"id":"oqmd-1218937","created_at":"2022-09-04T15:39:13.717809Z","updated_at":"2022-09-04T15:39:13.717839Z","structure_string":"C1 N1\n1.0\n0.000000 1.823408 1.823408\n1.823408 0.000000 1.823408\n1.823408 1.823408 0.000000\nC N\n1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.249999 0.249999 0.249999 N\n","nsites":2,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":3.5631280338536957,"density_atomic":0.16494852347416963,"volume":12.124994864311065,"volume_molar":3.650921289357916,"formula_full":"C1 N1","formula_reduced":"CN","formula_anonymous":"AB","formation_energy":2.24148097857825,"spacegroup":216},{"id":"oqmd-313995","created_at":"2022-09-04T14:50:11.921174Z","updated_at":"2022-09-04T14:50:11.921200Z","structure_string":"Ta1 H3\n1.0\n0.000000 2.297500 2.297500\n2.297500 0.000000 2.297500\n2.297500 2.297500 0.000000\nH Ta\n3 1\ndirect\n0.000000 0.000000 0.000000 H\n0.250000 0.250000 0.250000 H\n0.500000 0.500000 0.500000 H\n0.750000 0.750000 0.750000 Ta\n","nsites":4,"nelements":2,"elements":["H","Ta"],"chemical_system":"H-Ta","density":12.595156353943608,"density_atomic":0.16491624414813552,"volume":24.254736218749997,"volume_molar":3.6516358901495662,"formula_full":"Ta1 H3","formula_reduced":"TaH3","formula_anonymous":"AB3","formation_energy":0.232790490861868,"spacegroup":225},{"id":"oqmd-1713449","created_at":"2022-09-04T16:00:24.812757Z","updated_at":"2022-09-04T16:00:24.812784Z","structure_string":"Mn1 Ni1 H3\n1.0\n3.119250 0.000000 0.000000\n0.000000 3.119250 0.000000\n0.000000 0.000000 3.119250\nH Mn Ni\n3 1 1\ndirect\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n","nsites":5,"nelements":3,"elements":["H","Mn","Ni"],"chemical_system":"H-Mn-Ni","density":6.382677346452715,"density_atomic":0.1647477352148858,"volume":30.349430864578128,"volume_molar":3.65537089304756,"formula_full":"Mn1 Ni1 H3","formula_reduced":"MnNiH3","formula_anonymous":"ABC3","formation_energy":0.1411529999308747,"spacegroup":221},{"id":"oqmd-1718924","created_at":"2022-09-04T16:03:16.503955Z","updated_at":"2022-09-04T16:03:16.503975Z","structure_string":"V2 Cu1 H6\n1.0\n0.000000 3.012405 3.012405\n3.012405 0.000000 3.012405\n3.012405 3.012405 0.000000\nCu H V\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.277809 0.722191 0.277809 H\n0.722191 0.277809 0.277809 H\n0.722191 0.722191 0.277809 H\n0.277809 0.277809 0.722191 H\n0.277809 0.722191 0.722191 H\n0.722191 0.277809 0.722191 H\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n","nsites":9,"nelements":3,"elements":["Cu","H","V"],"chemical_system":"Cu-H-V","density":5.208156041143315,"density_atomic":0.16461614778306477,"volume":54.67264373031267,"volume_molar":3.6582928473919374,"formula_full":"V2 Cu1 H6","formula_reduced":"V2CuH6","formula_anonymous":"AB2C6","formation_energy":0.2276331318772169,"spacegroup":225},{"id":"oqmd-323864","created_at":"2022-09-04T15:17:05.158508Z","updated_at":"2022-09-04T15:17:05.158520Z","structure_string":"Ti2 H6\n1.0\n4.324456 0.000000 0.000000\n-2.162229 3.745089 0.000000\n0.000000 0.000000 3.001396\nH Ti\n6 2\ndirect\n0.175711 0.351423 0.250000 H\n0.648576 0.824287 0.250000 H\n0.175712 0.824287 0.250000 H\n0.824288 0.175710 0.750001 H\n0.351421 0.175710 0.750001 H\n0.824289 0.648577 0.750001 H\n0.666667 0.333333 0.250000 Ti\n0.333334 0.666668 0.750001 Ti\n","nsites":8,"nelements":2,"elements":["H","Ti"],"chemical_system":"H-Ti","density":3.476975390430435,"density_atomic":0.16457848568731298,"volume":48.609026669496835,"volume_molar":3.659130010128799,"formula_full":"Ti2 H6","formula_reduced":"TiH3","formula_anonymous":"AB3","formation_energy":-0.210630637584697,"spacegroup":194},{"id":"oqmd-8291","created_at":"2022-09-04T14:48:57.315561Z","updated_at":"2022-09-04T14:48:57.315590Z","structure_string":"Be2 C2 N4\n1.0\n3.735640 0.000000 0.000000\n0.000000 3.735640 0.000000\n-1.867820 -1.867820 3.486374\nBe C N\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500001 Be\n0.500000 0.500000 0.000000 C\n0.750000 0.250000 0.500001 C\n0.419913 0.374999 0.249999 N\n0.830086 0.874999 0.249999 N\n0.625000 0.169913 0.750000 N\n0.125000 0.580087 0.750000 N\n","nsites":8,"nelements":3,"elements":["Be","C","N"],"chemical_system":"Be-C-N","density":3.347284441482357,"density_atomic":0.16443186355222322,"volume":48.65237081898799,"volume_molar":3.662392817245777,"formula_full":"Be2 C2 N4","formula_reduced":"BeCN2","formula_anonymous":"ABC2","formation_energy":-0.486337277046753,"spacegroup":122},{"id":"oqmd-1718915","created_at":"2022-09-04T16:00:59.799260Z","updated_at":"2022-09-04T16:00:59.799278Z","structure_string":"Ti1 Co2 H6\n1.0\n0.000000 3.013997 3.013997\n3.013997 0.000000 3.013997\n3.013997 3.013997 0.000000\nCo H Ti\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.705919 0.294081 0.294081 H\n0.294081 0.705919 0.294081 H\n0.705919 0.705919 0.294081 H\n0.294081 0.294081 0.705919 H\n0.705919 0.294081 0.705919 H\n0.294081 0.705919 0.705919 H\n0.000000 0.000000 0.000000 Ti\n","nsites":9,"nelements":3,"elements":["Co","H","Ti"],"chemical_system":"Co-H-Ti","density":5.209137931249684,"density_atomic":0.1643554336819001,"volume":54.759369972634744,"volume_molar":3.6640959322680424,"formula_full":"Ti1 Co2 H6","formula_reduced":"Ti(CoH3)2","formula_anonymous":"AB2C6","formation_energy":0.3942135192342988,"spacegroup":225},{"id":"oqmd-1745534","created_at":"2022-09-04T16:02:47.485174Z","updated_at":"2022-09-04T16:02:47.485202Z","structure_string":"V4 H8\n1.0\n4.167176 0.000000 0.000000\n0.000000 4.189703 0.000000\n0.000000 0.000000 4.183357\nH V\n8 4\ndirect\n0.750253 0.000310 0.000000 H\n0.250253 0.499690 0.000000 H\n0.749747 0.500310 0.000000 H\n0.249747 0.999690 0.000000 H\n0.249747 0.000310 0.500000 H\n0.250253 0.500310 0.500000 H\n0.749747 0.499690 0.500000 H\n0.750253 0.999690 0.500000 H\n0.500000 0.249774 0.250000 V\n0.000000 0.749774 0.250000 V\n0.000000 0.250226 0.750000 V\n0.500000 0.750226 0.750000 V\n","nsites":12,"nelements":2,"elements":["H","V"],"chemical_system":"H-V","density":4.815989934506247,"density_atomic":0.16429760664724616,"volume":73.0381911512838,"volume_molar":3.665385566406812,"formula_full":"V4 H8","formula_reduced":"VH2","formula_anonymous":"AB2","formation_energy":-0.1991524739561162,"spacegroup":225},{"id":"oqmd-338396","created_at":"2022-09-04T15:04:26.666843Z","updated_at":"2022-09-04T15:04:26.666869Z","structure_string":"B1 N1\n1.0\n1.621780 1.621780 0.000000\n0.000000 3.243560 0.000000\n0.000000 0.000000 2.314335\nB N\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.000000 0.500000 0.500001 N\n","nsites":2,"nelements":2,"elements":["B","N"],"chemical_system":"B-N","density":3.38509240403967,"density_atomic":0.16428196770674539,"volume":12.174190679102027,"volume_molar":3.66573449543162,"formula_full":"B1 N1","formula_reduced":"BN","formula_anonymous":"AB","formation_energy":2.40601668732825,"spacegroup":221},{"id":"oqmd-1709570","created_at":"2022-09-04T16:00:14.724843Z","updated_at":"2022-09-04T16:00:14.724865Z","structure_string":"Fe1 Cu2 H6\n1.0\n0.000000 3.014678 3.014678\n3.014678 0.000000 3.014678\n3.014678 3.014678 0.000000\nCu Fe H\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Fe\n0.741502 0.258498 0.258498 H\n0.258498 0.741502 0.258498 H\n0.741502 0.741502 0.258498 H\n0.258498 0.258498 0.741502 H\n0.741502 0.258498 0.741502 H\n0.258498 0.741502 0.741502 H\n","nsites":9,"nelements":3,"elements":["Cu","Fe","H"],"chemical_system":"Cu-Fe-H","density":5.726942392939934,"density_atomic":0.1642440777406703,"volume":54.79649631087679,"volume_molar":3.6665801548768973,"formula_full":"Fe1 Cu2 H6","formula_reduced":"Fe(CuH3)2","formula_anonymous":"AB2C6","formation_energy":0.3253819507661054,"spacegroup":225},{"id":"oqmd-1234916","created_at":"2022-09-04T15:39:25.686366Z","updated_at":"2022-09-04T15:39:25.686390Z","structure_string":"Co1 H1\n1.0\n1.285979 0.742460 2.127650\n-1.285979 0.742460 2.127650\n0.000000 -1.484921 2.127650\nCo H\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.500001 H\n","nsites":2,"nelements":2,"elements":["Co","H"],"chemical_system":"Co-H","density":8.166114948371805,"density_atomic":0.1640859609963336,"volume":12.188733197258044,"volume_molar":3.6701133499986396,"formula_full":"Co1 H1","formula_reduced":"CoH","formula_anonymous":"AB","formation_energy":0.0826543439079126,"spacegroup":225}]}