{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=4340","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=4338","results":[{"id":"jvasp-64866","created_at":"2022-09-04T14:35:50.759924Z","updated_at":"2022-09-04T14:35:50.759956Z","structure_string":"Ba4 Tl1 Ge1\n1.0\n-0.000000 4.980828 4.980828\n4.980828 -0.000000 4.980828\n4.980828 4.980828 -0.000000\nBa Tl Ge\n4 1 1\ndirect\n0.127321 0.624227 0.624227 Ba\n0.624227 0.624227 0.624227 Ba\n0.624227 0.127321 0.624227 Ba\n0.624227 0.624227 0.127321 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ge\n","nsites":6,"nelements":3,"elements":["Ba","Tl","Ge"],"chemical_system":"Ba-Ge-Tl","density":5.552245629627253,"density_atomic":0.02427820758618127,"volume":247.13521287358523,"volume_molar":24.80471731128824,"formula_full":"Ba4 Tl1 Ge1","formula_reduced":"Ba4TlGe","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-68642","created_at":"2022-09-04T14:35:50.757748Z","updated_at":"2022-09-04T14:35:50.757776Z","structure_string":"Be1 Tl2 Ga1\n1.0\n-2.063399 2.063399 5.387699\n2.063399 -2.063399 5.387699\n2.063399 2.063399 -5.387699\nBe Tl Ga\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Ga\n","nsites":4,"nelements":3,"elements":["Be","Tl","Ga"],"chemical_system":"Be-Ga-Tl","density":8.822579036718398,"density_atomic":0.043594353748396576,"volume":91.75500164736637,"volume_molar":13.814038383861806,"formula_full":"Be1 Tl2 Ga1","formula_reduced":"BeTl2Ga","formula_anonymous":"ABC2","energy_above_hull":0.1754072812499999,"spacegroup":119},{"id":"jvasp-91421","created_at":"2022-09-04T14:35:50.752816Z","updated_at":"2022-09-04T14:35:50.752842Z","structure_string":"Yb4 Se4 O12 F4\n1.0\n6.498913 0.000000 -0.441467\n0.000000 6.838090 0.000000\n0.501159 0.000000 6.713239\nYb Se O F\n4 4 12 4\ndirect\n0.132522 0.176589 0.868261 Yb\n0.132522 0.323411 0.368261 Yb\n0.867478 0.823411 0.131739 Yb\n0.867478 0.676589 0.631739 Yb\n0.670348 0.360922 0.187068 Se\n0.329652 0.860922 0.312931 Se\n0.329652 0.639078 0.812932 Se\n0.670348 0.139078 0.687068 Se\n0.804055 0.968576 0.818124 O\n0.860699 0.302102 0.641260 O\n0.491307 0.763389 0.136267 O\n0.508693 0.263389 0.363733 O\n0.195945 0.468576 0.681876 O\n0.860699 0.197898 0.141259 O\n0.139301 0.697898 0.358740 O\n0.804055 0.531424 0.318124 O\n0.139301 0.802102 0.858740 O\n0.195945 0.031424 0.181875 O\n0.491307 0.736611 0.636267 O\n0.508693 0.236611 0.863733 O\n0.786101 0.925467 0.430425 F\n0.213899 0.074533 0.569575 F\n0.786101 0.574533 0.930425 F\n0.213899 0.425467 0.069575 F\n","nsites":24,"nelements":4,"elements":["Yb","Se","O","F"],"chemical_system":"F-O-Se-Yb","density":7.066278068686191,"density_atomic":0.08003995171125068,"volume":299.85025586449075,"volume_molar":7.523918532241577,"formula_full":"Yb4 Se4 O12 F4","formula_reduced":"YbSeO3F","formula_anonymous":"ABCD3","energy_above_hull":1.0738774748611108,"spacegroup":14},{"id":"jvasp-74694","created_at":"2022-09-04T14:35:50.751124Z","updated_at":"2022-09-04T14:35:50.751148Z","structure_string":"La1 Be1 Cu2\n1.0\n4.598197 0.000000 0.000000\n-0.000000 4.598197 0.000000\n-0.000000 0.000000 3.525302\nLa Be Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["La","Be","Cu"],"chemical_system":"Be-Cu-La","density":6.12668510128923,"density_atomic":0.05366467659092777,"volume":74.53692548062827,"volume_molar":11.221796426549353,"formula_full":"La1 Be1 Cu2","formula_reduced":"LaBeCu2","formula_anonymous":"ABC2","energy_above_hull":0.812203,"spacegroup":123},{"id":"jvasp-3771","created_at":"2022-09-04T14:35:50.750883Z","updated_at":"2022-09-04T14:35:50.750911Z","structure_string":"Sn3 I6\n1.0\n4.473755 0.000000 0.000000\n-2.236878 7.142410 -0.276027\n0.000000 -0.038198 11.011911\nSn I\n3 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.265541 0.531082 0.307452 Sn\n0.734459 0.468918 0.692547 Sn\n0.078352 0.156705 0.730805 I\n0.921648 0.843295 0.269195 I\n0.361771 0.723542 0.561604 I\n0.638230 0.276458 0.438396 I\n0.351249 0.702498 0.921866 I\n0.648752 0.297502 0.078133 I\n","nsites":9,"nelements":2,"elements":["Sn","I"],"chemical_system":"I-Sn","density":5.274693975814695,"density_atomic":0.025581209051484,"volume":351.820743964324,"volume_molar":23.54126713823422,"formula_full":"Sn3 I6","formula_reduced":"SnI2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-67043","created_at":"2022-09-04T14:35:50.747536Z","updated_at":"2022-09-04T14:35:50.747566Z","structure_string":"Hf1 Be2 Ge1\n1.0\n3.090809 -0.000000 -0.000000\n0.000000 3.090809 0.000000\n-0.000000 0.000000 5.857722\nHf Be Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.800793 Be\n0.000000 0.000000 0.199207 Be\n0.500000 0.500000 0.000000 Ge\n","nsites":4,"nelements":3,"elements":["Hf","Be","Ge"],"chemical_system":"Be-Ge-Hf","density":7.986884978639108,"density_atomic":0.07148038750271349,"volume":55.959405646033396,"volume_molar":8.424885441158795,"formula_full":"Hf1 Be2 Ge1","formula_reduced":"HfBe2Ge","formula_anonymous":"ABC2","energy_above_hull":2.5207552875,"spacegroup":123},{"id":"jvasp-97835","created_at":"2022-09-04T14:35:50.745873Z","updated_at":"2022-09-04T14:35:50.745888Z","structure_string":"Na4 P20\n1.0\n6.566077 -0.000000 0.000000\n0.000000 6.984877 0.000000\n0.000000 0.000000 11.032973\nNa P\n4 20\ndirect\n0.250000 0.091088 0.424917 Na\n0.750000 0.908913 0.575083 Na\n0.750000 0.591088 0.075083 Na\n0.250000 0.408913 0.924916 Na\n0.750000 0.435381 0.312061 P\n0.250000 0.564619 0.687939 P\n0.250000 0.024825 0.810225 P\n0.750000 0.975175 0.189775 P\n0.750000 0.524826 0.689775 P\n0.250000 0.475175 0.310225 P\n0.250000 0.869309 0.638412 P\n0.750000 0.130691 0.361588 P\n0.750000 0.369309 0.861588 P\n0.511796 0.595897 0.417561 P\n0.750000 0.064619 0.812061 P\n0.011796 0.404103 0.582439 P\n0.488205 0.095897 0.082439 P\n0.988205 0.904103 0.917561 P\n0.488205 0.404103 0.582439 P\n0.988205 0.595897 0.417561 P\n0.511796 0.904103 0.917561 P\n0.011796 0.095897 0.082439 P\n0.250000 0.630691 0.138412 P\n0.250000 0.935381 0.187939 P\n","nsites":24,"nelements":2,"elements":["Na","P"],"chemical_system":"Na-P","density":2.3346759959291674,"density_atomic":0.04743009037265503,"volume":506.00789101251155,"volume_molar":12.696878105617015,"formula_full":"Na4 P20","formula_reduced":"NaP5","formula_anonymous":"AB5","energy_above_hull":2.583329416666667,"spacegroup":62},{"id":"jvasp-90037","created_at":"2022-09-04T14:35:50.743471Z","updated_at":"2022-09-04T14:35:50.743500Z","structure_string":"Hf3 Ge3 Ru3\n1.0\n0.000000 0.000000 -3.749948\n-3.372159 -5.840749 0.000000\n-3.372132 5.840735 0.000000\nHf Ge Ru\n3 3 3\ndirect\n0.500000 0.584665 0.000000 Hf\n0.500000 0.415319 0.415337 Hf\n0.500000 -0.000019 0.584662 Hf\n0.000000 0.333318 0.666670 Ge\n0.000000 0.666649 0.333329 Ge\n0.500000 -0.000001 -0.000000 Ge\n0.000000 0.246792 0.000000 Ru\n0.000000 0.753189 0.753201 Ru\n0.000000 0.999988 0.246798 Ru\n","nsites":9,"nelements":3,"elements":["Hf","Ge","Ru"],"chemical_system":"Ge-Hf-Ru","density":11.877639361968223,"density_atomic":0.06092744136201709,"volume":147.71669052248615,"volume_molar":9.884118921419661,"formula_full":"Hf3 Ge3 Ru3","formula_reduced":"HfGeRu","formula_anonymous":"ABC","energy_above_hull":2.9537098166666658,"spacegroup":189},{"id":"jvasp-65601","created_at":"2022-09-04T14:35:50.739265Z","updated_at":"2022-09-04T14:35:50.739296Z","structure_string":"Ba1 Si2 Rh1\n1.0\n4.230069 0.000000 0.000000\n0.000000 4.230069 -0.000000\n0.000000 0.000000 4.890054\nBa Si Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Ba","Si","Rh"],"chemical_system":"Ba-Rh-Si","density":5.625017358002137,"density_atomic":0.04571423254993754,"volume":87.50010176000352,"volume_molar":13.173448232826622,"formula_full":"Ba1 Si2 Rh1","formula_reduced":"BaSi2Rh","formula_anonymous":"ABC2","energy_above_hull":2.3124240425,"spacegroup":123},{"id":"jvasp-64725","created_at":"2022-09-04T14:35:50.736100Z","updated_at":"2022-09-04T14:35:50.736129Z","structure_string":"Ba4 Tl1 Cd1\n1.0\n-0.000000 5.083711 5.083711\n5.083711 -0.000000 5.083711\n5.083711 5.083711 0.000000\nBa Tl Cd\n4 1 1\ndirect\n0.124023 0.625326 0.625326 Ba\n0.625326 0.625326 0.625326 Ba\n0.625326 0.124023 0.625326 Ba\n0.625326 0.625326 0.124023 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cd\n","nsites":6,"nelements":3,"elements":["Ba","Tl","Cd"],"chemical_system":"Ba-Cd-Tl","density":5.473255631407681,"density_atomic":0.022833826331501664,"volume":262.76804916057233,"volume_molar":26.373769654592778,"formula_full":"Ba4 Tl1 Cd1","formula_reduced":"Ba4TlCd","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-65412","created_at":"2022-09-04T14:35:50.735856Z","updated_at":"2022-09-04T14:35:50.735882Z","structure_string":"Ba1 Zn1 P2\n1.0\n3.304572 -3.305617 0.000000\n3.304572 3.305617 0.000000\n0.000000 0.000000 4.338564\nBa Zn P\n1 1 2\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n","nsites":4,"nelements":3,"elements":["Ba","Zn","P"],"chemical_system":"Ba-P-Zn","density":4.636948256842303,"density_atomic":0.042200367725481906,"volume":94.7859039053983,"volume_molar":14.270351384553559,"formula_full":"Ba1 Zn1 P2","formula_reduced":"BaZnP2","formula_anonymous":"ABC2","energy_above_hull":1.0059918425,"spacegroup":123},{"id":"jvasp-98068","created_at":"2022-09-04T14:35:50.734251Z","updated_at":"2022-09-04T14:35:50.734276Z","structure_string":"Ti3 H24 C12 N3 O30\n1.0\n8.939816 0.000000 0.000000\n-4.469908 7.742107 -0.000000\n-0.000000 -0.000000 10.697885\nTi H C N O\n3 24 12 3 30\ndirect\n-0.000000 0.500000 0.833333 Ti\n0.500000 0.500000 0.166667 Ti\n0.500000 0.000000 0.500000 Ti\n0.079895 0.974562 0.888904 H\n0.897808 0.263302 0.346523 H\n0.736698 0.634506 0.679857 H\n0.920105 0.894666 0.777764 H\n0.263302 0.897808 0.986811 H\n0.263302 0.365495 0.679857 H\n0.974562 0.894666 0.222237 H\n0.025439 0.920105 0.444430 H\n0.079895 0.105334 0.777764 H\n0.634506 0.736698 0.653477 H\n0.736698 0.102192 0.986811 H\n0.634506 0.897808 0.013189 H\n0.102192 0.736698 0.346523 H\n0.025439 0.105334 0.222237 H\n0.102192 0.365495 0.320144 H\n0.894666 0.920105 0.555571 H\n0.105334 0.025439 0.111096 H\n0.974562 0.079895 0.444430 H\n0.920105 0.025439 0.888904 H\n0.365495 0.102192 0.013189 H\n0.365495 0.263302 0.653477 H\n0.105334 0.079895 0.555571 H\n0.897808 0.634506 0.320144 H\n0.894666 0.974562 0.111096 H\n0.213978 0.427955 0.000000 C\n0.310078 0.689923 0.666667 C\n0.786023 0.572045 0.000000 C\n0.689923 0.379845 0.000000 C\n0.213978 0.786023 0.666667 C\n0.620155 0.310078 0.333333 C\n0.379845 0.689923 0.333333 C\n0.786023 0.213978 0.666667 C\n0.572045 0.786023 0.333333 C\n0.310078 0.620155 0.000000 C\n0.427955 0.213978 0.333333 C\n0.689923 0.310078 0.666667 C\n0.000000 0.000000 0.833333 N\n0.000000 0.000000 0.166667 N\n0.000000 0.000000 0.500000 N\n0.749461 0.749461 0.666667 O\n0.453308 0.761692 0.608076 O\n-0.000000 0.250539 0.333333 O\n0.250540 0.000000 0.000000 O\n0.927642 0.280877 0.726510 O\n0.238308 0.546692 0.725257 O\n0.719124 0.072359 0.606824 O\n0.238308 0.691617 0.941411 O\n0.691617 0.453308 0.274743 O\n0.250540 0.250539 0.666667 O\n0.072359 0.353236 0.940158 O\n0.546692 0.308384 0.058590 O\n0.353236 0.280877 0.273491 O\n0.353236 0.072359 0.393176 O\n0.761692 0.453308 0.725257 O\n0.280877 0.927641 0.606824 O\n0.646765 0.719124 0.273491 O\n0.927642 0.646765 0.940158 O\n0.749461 0.000000 0.000000 O\n0.453309 0.691617 0.058590 O\n0.719124 0.646765 0.059842 O\n0.761692 0.308384 0.941411 O\n0.308384 0.546692 0.274743 O\n-0.000000 0.749461 0.333333 O\n0.072359 0.719124 0.726510 O\n0.546692 0.238308 0.608076 O\n0.691617 0.238308 0.391924 O\n0.308384 0.761692 0.391924 O\n0.280877 0.353236 0.059842 O\n0.646765 0.927641 0.393176 O\n","nsites":72,"nelements":5,"elements":["Ti","H","C","N","O"],"chemical_system":"C-H-N-O-Ti","density":1.87020358672584,"density_atomic":0.09724041911265233,"volume":740.4328432252901,"volume_molar":6.193042785041264,"formula_full":"Ti3 H24 C12 N3 O30","formula_reduced":"TiH8C4NO10","formula_anonymous":"ABC4D8E10","energy_above_hull":4.085421107638889,"spacegroup":181}]}