{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=589","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=587","results":[{"id":"jvasp-17408","created_at":"2022-09-04T14:38:33.187242Z","updated_at":"2022-09-04T14:38:33.187283Z","structure_string":"Ho2 S4\n1.0\n4.777233 0.000000 2.758137\n1.592411 4.504020 2.758137\n0.000000 0.000000 5.516274\nHo S\n2 4\ndirect\n0.125000 0.125000 0.125000 Ho\n0.874999 0.875000 0.875001 Ho\n0.500000 -0.000000 0.500000 S\n-0.000000 0.500000 0.500000 S\n0.499999 0.500000 0.500000 S\n0.499999 0.500000 0.000001 S\n","nsites":6,"nelements":2,"elements":["Ho","S"],"chemical_system":"Ho-S","density":6.409237901938498,"density_atomic":0.05055087606156203,"volume":118.69230500957215,"volume_molar":11.913029464941612,"formula_full":"Ho2 S4","formula_reduced":"HoS2","formula_anonymous":"AB2","energy_above_hull":1.4811451888888891,"spacegroup":227},{"id":"jvasp-54925","created_at":"2022-09-04T14:38:33.195829Z","updated_at":"2022-09-04T14:38:33.195853Z","structure_string":"Zn2 I4\n1.0\n5.590322 -0.000000 0.000000\n-2.795162 4.841361 -0.000000\n0.000000 0.000000 8.194260\nZn I\n2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n0.333333 0.666667 0.750000 I\n0.666667 0.333333 0.250000 I\n","nsites":6,"nelements":2,"elements":["Zn","I"],"chemical_system":"I-Zn","density":4.780269181593755,"density_atomic":0.027054357181989133,"volume":221.77573688553107,"volume_molar":22.259411744623204,"formula_full":"Zn2 I4","formula_reduced":"ZnI2","formula_anonymous":"AB2","energy_above_hull":0.3001133333333333,"spacegroup":191},{"id":"jvasp-55099","created_at":"2022-09-04T14:38:33.216271Z","updated_at":"2022-09-04T14:38:33.216288Z","structure_string":"U2 Al8\n1.0\n4.232903 0.000000 -1.234792\n-0.721995 5.659938 -2.475020\n0.012128 0.045174 7.914227\nU Al\n2 8\ndirect\n0.110456 0.360455 0.220912 U\n0.889545 0.639544 0.779089 U\n0.301407 0.276516 0.602813 Al\n0.698594 0.173704 0.397188 Al\n0.301407 0.826296 0.602813 Al\n0.500000 0.500000 0.000000 Al\n0.698594 0.723483 0.397188 Al\n0.111864 0.861863 0.223725 Al\n0.888137 0.138136 0.776275 Al\n0.500000 -0.000000 0.000000 Al\n","nsites":10,"nelements":2,"elements":["U","Al"],"chemical_system":"Al-U","density":6.040488440829143,"density_atomic":0.0525742725077405,"volume":190.20710174406506,"volume_molar":11.454539402544013,"formula_full":"U2 Al8","formula_reduced":"UAl4","formula_anonymous":"AB4","energy_above_hull":2.68741744,"spacegroup":74},{"id":"jvasp-20807","created_at":"2022-09-04T14:38:33.199681Z","updated_at":"2022-09-04T14:38:33.199720Z","structure_string":"Mo8 N8\n1.0\n2.880335 -4.988886 -0.000000\n2.880335 4.988886 -0.000000\n0.000000 -0.000000 5.669649\nMo N\n8 8\ndirect\n0.024133 0.512067 0.507793 Mo\n0.512066 0.487932 0.007793 Mo\n0.512067 0.024133 0.007793 Mo\n0.487932 0.975865 0.507793 Mo\n0.487932 0.512066 0.507793 Mo\n0.975865 0.487932 0.007793 Mo\n0.000000 0.000000 0.513540 Mo\n0.000000 0.000000 0.013540 Mo\n0.666770 0.833384 0.251733 N\n0.833385 0.166614 0.751733 N\n0.833384 0.666770 0.751733 N\n0.166614 0.333228 0.251733 N\n0.166614 0.833385 0.251733 N\n0.333228 0.166614 0.751733 N\n0.333332 0.666666 0.780879 N\n0.666666 0.333332 0.280879 N\n","nsites":16,"nelements":2,"elements":["Mo","N"],"chemical_system":"Mo-N","density":8.96372517174078,"density_atomic":0.09819451559134158,"volume":162.9418904268297,"volume_molar":6.132868749067907,"formula_full":"Mo8 N8","formula_reduced":"MoN","formula_anonymous":"AB","energy_above_hull":3.422469575,"spacegroup":186},{"id":"jvasp-11395","created_at":"2022-09-04T14:38:33.203280Z","updated_at":"2022-09-04T14:38:33.203305Z","structure_string":"Al8 Sb8\n1.0\n7.620413 0.000000 -0.000000\n-0.000000 7.620413 0.000000\n-0.000000 -0.000000 7.620413\nAl Sb\n8 8\ndirect\n0.344077 0.344077 0.344077 Al\n0.155922 0.655922 0.844077 Al\n0.844077 0.155922 0.655922 Al\n0.655922 0.844077 0.155922 Al\n0.655922 0.655922 0.655922 Al\n0.844077 0.344077 0.155922 Al\n0.155922 0.844077 0.344077 Al\n0.344077 0.155922 0.844077 Al\n0.142094 0.142094 0.142094 Sb\n0.357905 0.857905 0.642094 Sb\n0.642094 0.357905 0.857905 Sb\n0.857905 0.642094 0.357905 Sb\n0.857905 0.857905 0.857905 Sb\n0.642094 0.142094 0.357905 Sb\n0.357905 0.642094 0.142094 Sb\n0.142094 0.357905 0.642094 Sb\n","nsites":16,"nelements":2,"elements":["Al","Sb"],"chemical_system":"Al-Sb","density":4.465147670042804,"density_atomic":0.036156339440307925,"volume":442.5226736908778,"volume_molar":16.655836440362595,"formula_full":"Al8 Sb8","formula_reduced":"AlSb","formula_anonymous":"AB","energy_above_hull":1.0296294500000005,"spacegroup":205},{"id":"jvasp-16713","created_at":"2022-09-04T14:38:33.215563Z","updated_at":"2022-09-04T14:38:33.215591Z","structure_string":"Mn1 Al1\n1.0\n2.944710 -0.000000 -0.000000\n0.000000 2.944710 0.000000\n0.000000 0.000000 2.944710\nMn Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n","nsites":2,"nelements":2,"elements":["Mn","Al"],"chemical_system":"Al-Mn","density":5.327325586058108,"density_atomic":0.07832536044452802,"volume":25.534513836249115,"volume_molar":7.688621828002987,"formula_full":"Mn1 Al1","formula_reduced":"MnAl","formula_anonymous":"AB","energy_above_hull":1.878655020689655,"spacegroup":221},{"id":"jvasp-38421","created_at":"2022-09-04T14:38:33.240824Z","updated_at":"2022-09-04T14:38:33.240849Z","structure_string":"Li3 Be1\n1.0\n-1.996055 1.996055 3.629437\n1.996055 -1.996055 3.629437\n1.996055 1.996055 -3.629437\nLi Be\n3 1\ndirect\n0.749999 0.249999 0.499999 Li\n0.249999 0.749999 0.499999 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Be\n","nsites":4,"nelements":2,"elements":["Li","Be"],"chemical_system":"Be-Li","density":0.8565121493418203,"density_atomic":0.06915374912436051,"volume":57.842127876635054,"volume_molar":8.708335898275404,"formula_full":"Li3 Be1","formula_reduced":"Li3Be","formula_anonymous":"AB3","energy_above_hull":1.028759025,"spacegroup":139},{"id":"jvasp-29654","created_at":"2022-09-04T14:38:33.244376Z","updated_at":"2022-09-04T14:38:33.244392Z","structure_string":"Cd7 I14\n1.0\n4.285702 -0.000000 -0.000000\n-2.142851 3.711527 0.000000\n-0.000000 -0.000000 48.151694\nCd I\n7 14\ndirect\n0.000000 0.000000 0.178569 Cd\n0.000000 0.000000 0.750006 Cd\n0.000000 0.000000 0.892818 Cd\n0.666667 0.333333 0.321411 Cd\n0.000000 0.000000 0.464292 Cd\n0.666667 0.333333 0.607096 Cd\n0.666667 0.333333 0.035709 Cd\n0.333333 0.666668 0.500330 I\n0.000000 0.000000 0.571105 I\n0.333333 0.666668 0.928859 I\n0.333333 0.666668 0.786033 I\n-0.000000 -0.000000 -0.000287 I\n0.333333 0.666668 0.643136 I\n0.333333 0.666668 0.071748 I\n0.333333 0.666668 0.214609 I\n0.666667 0.333333 0.714000 I\n0.666667 0.333333 0.856822 I\n0.666667 0.333333 0.142577 I\n0.666667 0.333333 0.428299 I\n0.333333 0.666668 0.357450 I\n0.000000 0.000000 0.285415 I\n","nsites":21,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.557800586203208,"density_atomic":0.0274178332215002,"volume":765.9248573856107,"volume_molar":21.96432048932892,"formula_full":"Cd7 I14","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.0001033333333333,"spacegroup":156},{"id":"jvasp-31138","created_at":"2022-09-04T14:38:33.229497Z","updated_at":"2022-09-04T14:38:33.229516Z","structure_string":"Hf23 Se25\n1.0\n7.927425 -0.005297 -0.002207\n-1.680129 7.837146 0.003852\n-0.060358 -2.297777 15.657755\nHf Se\n23 25\ndirect\n0.282797 0.931763 0.919989 Hf\n0.611005 0.528774 0.044085 Hf\n0.922124 0.130062 0.161247 Hf\n0.371236 0.337535 0.201369 Hf\n0.046611 0.732364 0.077544 Hf\n0.488460 0.933957 0.119622 Hf\n0.124713 0.133243 0.356314 Hf\n0.247219 0.734732 0.278696 Hf\n0.570389 0.334745 0.402051 Hf\n0.331403 0.129639 0.562981 Hf\n0.003572 0.532012 0.439805 Hf\n0.806661 0.534982 0.238352 Hf\n0.765935 0.333551 0.598640 Hf\n0.692530 0.937878 0.317073 Hf\n0.093940 0.941612 0.721581 Hf\n0.405785 0.534098 0.836602 Hf\n0.718481 0.128773 0.964714 Hf\n0.640429 0.730480 0.680520 Hf\n0.849704 0.733990 0.881158 Hf\n0.206930 0.533579 0.640001 Hf\n0.522009 0.132083 0.758415 Hf\n0.438463 0.729298 0.484562 Hf\n0.972336 0.336889 0.794712 Hf\n0.606943 0.000446 0.599405 Se\n0.887483 0.399644 0.078995 Se\n0.317935 0.599303 0.118709 Se\n0.639255 0.202694 0.240854 Se\n0.401175 0.998836 0.400756 Se\n0.081129 0.400910 0.278501 Se\n0.761202 0.798824 0.159154 Se\n0.521915 0.605639 0.322862 Se\n0.841193 0.196851 0.441489 Se\n0.277435 0.393148 0.479537 Se\n0.960863 0.799360 0.361465 Se\n0.557782 0.792413 0.959919 Se\n0.036903 0.197401 0.636661 Se\n0.801222 0.003234 0.800869 Se\n0.480519 0.398973 0.679287 Se\n0.151763 0.799463 0.559355 Se\n0.240297 0.202527 0.843768 Se\n0.919087 0.606176 0.719189 Se\n0.001316 0.003165 0.999725 Se\n0.681333 0.397774 0.880807 Se\n0.358874 0.801071 0.760398 Se\n0.120439 0.596462 0.920536 Se\n0.200790 0.002768 0.198122 Se\n0.722160 0.604479 0.520116 Se\n0.431574 0.199044 0.039470 Se\n","nsites":48,"nelements":2,"elements":["Hf","Se"],"chemical_system":"Hf-Se","density":10.378058483893716,"density_atomic":0.049346553012149026,"volume":972.7123186939216,"volume_molar":12.203771879501614,"formula_full":"Hf23 Se25","formula_reduced":"Hf23Se25","formula_anonymous":"A23B25","energy_above_hull":4.3438417326388885,"spacegroup":1},{"id":"jvasp-16870","created_at":"2022-09-04T14:38:33.232571Z","updated_at":"2022-09-04T14:38:33.232587Z","structure_string":"Ho2 Si2\n1.0\n3.828351 -0.000000 -0.000000\n0.000000 3.947407 -1.594161\n0.000000 -0.009923 5.659727\nHo Si\n2 2\ndirect\n0.250000 0.859510 0.719019 Ho\n0.750000 0.140492 0.280983 Ho\n0.250000 0.578145 0.156290 Si\n0.750000 0.421856 0.843711 Si\n","nsites":4,"nelements":2,"elements":["Ho","Si"],"chemical_system":"Ho-Si","density":7.499986368374194,"density_atomic":0.046800281576959875,"volume":85.46957123371732,"volume_molar":12.867744716657313,"formula_full":"Ho2 Si2","formula_reduced":"HoSi","formula_anonymous":"AB","energy_above_hull":1.107022083333333,"spacegroup":63},{"id":"jvasp-20792","created_at":"2022-09-04T14:38:33.307412Z","updated_at":"2022-09-04T14:38:33.307429Z","structure_string":"Pr6 F18\n1.0\n3.555241 -6.157857 0.000000\n3.555241 6.157857 -0.000000\n0.000000 0.000000 7.304762\nPr F\n6 18\ndirect\n0.343471 -0.000000 0.750000 Pr\n0.656529 0.656529 0.750000 Pr\n-0.000000 0.343471 0.750000 Pr\n0.656529 -0.000000 0.250000 Pr\n0.343471 0.343471 0.250000 Pr\n-0.000000 0.656529 0.250000 Pr\n0.940092 0.629690 0.581296 F\n0.629690 0.940092 0.918704 F\n0.310402 0.370310 0.918704 F\n0.059908 0.689598 0.918704 F\n0.629690 0.689598 0.418704 F\n0.310402 0.940092 0.418704 F\n0.059908 0.370310 0.418704 F\n0.370310 0.059908 0.081296 F\n0.333333 0.666667 0.179750 F\n0.940092 0.310402 0.081296 F\n0.689598 0.059908 0.581296 F\n0.666667 0.333333 0.320250 F\n0.666667 0.333333 0.820250 F\n0.333333 0.666667 0.679750 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n0.689598 0.629690 0.081296 F\n0.370310 0.310402 0.581296 F\n","nsites":24,"nelements":2,"elements":["Pr","F"],"chemical_system":"F-Pr","density":6.164781752943587,"density_atomic":0.07503718452330135,"volume":319.8414246545626,"volume_molar":8.025542000619629,"formula_full":"Pr6 F18","formula_reduced":"PrF3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":165},{"id":"jvasp-110787","created_at":"2022-09-04T14:38:36.931190Z","updated_at":"2022-09-04T14:38:36.931216Z","structure_string":"Er2 Sb6\n1.0\n6.575839 -0.000000 0.000000\n-3.287919 5.694843 0.000000\n0.000000 0.000000 5.808320\nEr Sb\n2 6\ndirect\n0.333333 0.666666 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.175415 0.350830 0.250000 Sb\n0.649170 0.824584 0.250000 Sb\n0.175415 0.824584 0.250000 Sb\n0.824584 0.649170 0.750000 Sb\n0.350830 0.175415 0.750000 Sb\n0.824585 0.175415 0.750000 Sb\n","nsites":8,"nelements":2,"elements":["Er","Sb"],"chemical_system":"Er-Sb","density":8.13105781856061,"density_atomic":0.03677955960257729,"volume":217.51212049421625,"volume_molar":16.373607582778135,"formula_full":"Er2 Sb6","formula_reduced":"ErSb3","formula_anonymous":"AB3","energy_above_hull":1.459087075,"spacegroup":194}]}