{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4370","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4368","results":[{"id":"jvasp-64153","created_at":"2022-09-04T14:36:05.797173Z","updated_at":"2022-09-04T14:36:05.797192Z","structure_string":"Ba4 Zn1 Se1\n1.0\n0.000000 4.974452 4.974452\n4.974452 -0.000000 4.974452\n4.974452 4.974452 -0.000000\nBa Zn Se\n4 1 1\ndirect\n0.128699 0.623767 0.623767 Ba\n0.623767 0.623767 0.623767 Ba\n0.623767 0.128699 0.623767 Ba\n0.623767 0.623767 0.128699 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Se\n","nsites":6,"nelements":3,"elements":["Ba","Zn","Se"],"chemical_system":"Ba-Se-Zn","density":4.678866599182721,"density_atomic":0.024371683017264358,"volume":246.18734765874532,"volume_molar":24.70958101553368,"formula_full":"Ba4 Zn1 Se1","formula_reduced":"Ba4ZnSe","formula_anonymous":"ABC4","energy_above_hull":0.0334446516666666,"spacegroup":216},{"id":"jvasp-63974","created_at":"2022-09-04T14:36:01.635014Z","updated_at":"2022-09-04T14:36:01.635047Z","structure_string":"Ba4 Te1 W1\n1.0\n-0.000000 4.920206 4.920206\n4.920206 0.000000 4.920206\n4.920206 4.920206 0.000000\nBa Te W\n4 1 1\ndirect\n0.124102 0.625300 0.625300 Ba\n0.625300 0.625300 0.625300 Ba\n0.625300 0.124102 0.625300 Ba\n0.625300 0.625300 0.124102 Ba\n0.250000 0.250000 0.250000 Te\n0.000000 0.000000 0.000000 W\n","nsites":6,"nelements":3,"elements":["Ba","Te","W"],"chemical_system":"Ba-Te-W","density":5.999917313379081,"density_atomic":0.025186707344321276,"volume":238.22089636312825,"volume_molar":23.909996164535507,"formula_full":"Ba4 Te1 W1","formula_reduced":"Ba4TeW","formula_anonymous":"ABC4","energy_above_hull":1.5929236077777778,"spacegroup":216},{"id":"jvasp-14156","created_at":"2022-09-04T14:36:02.035591Z","updated_at":"2022-09-04T14:36:02.035611Z","structure_string":"Li2 Y2 F8\n1.0\n4.761741 -0.000020 -2.032635\n-0.867695 4.682318 -2.032538\n-0.030031 -0.035984 6.523180\nLi Y F\n2 2 8\ndirect\n0.125000 0.375032 0.250024 Li\n0.875001 0.624970 0.749977 Li\n0.375013 0.125009 0.750004 Y\n0.624988 0.874992 0.249997 Y\n0.676171 0.542584 0.911752 F\n0.369187 0.176173 0.411748 F\n0.764428 0.130823 0.088252 F\n0.957409 0.264411 0.588230 F\n0.630814 0.823829 0.588253 F\n0.323830 0.457417 0.088249 F\n0.235573 0.869178 0.911749 F\n0.042593 0.735590 0.411771 F\n","nsites":12,"nelements":3,"elements":["Li","Y","F"],"chemical_system":"F-Li-Y","density":3.942818392955304,"density_atomic":0.08290552867982379,"volume":144.74306106102145,"volume_molar":7.263859064522885,"formula_full":"Li2 Y2 F8","formula_reduced":"LiYF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":88},{"id":"jvasp-63970","created_at":"2022-09-04T14:35:57.969617Z","updated_at":"2022-09-04T14:35:57.969626Z","structure_string":"Ba4 Tc1 Sb1\n1.0\n0.000000 4.891579 4.891579\n4.891579 0.000000 4.891579\n4.891579 4.891579 0.000000\nBa Tc Sb\n4 1 1\ndirect\n0.125495 0.624835 0.624835 Ba\n0.624835 0.624835 0.624835 Ba\n0.624835 0.125495 0.624835 Ba\n0.624835 0.624835 0.125495 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Sb\n","nsites":6,"nelements":3,"elements":["Ba","Tc","Sb"],"chemical_system":"Ba-Sb-Tc","density":5.455525969709481,"density_atomic":0.025631500975814583,"volume":234.08695439496464,"volume_molar":23.49507649076963,"formula_full":"Ba4 Tc1 Sb1","formula_reduced":"Ba4TcSb","formula_anonymous":"ABC4","energy_above_hull":1.255131913333333,"spacegroup":216},{"id":"jvasp-64882","created_at":"2022-09-04T14:36:04.203851Z","updated_at":"2022-09-04T14:36:04.203872Z","structure_string":"Be1 Cd4 Ga1\n1.0\n-0.000000 4.049537 4.049537\n4.049537 -0.000000 4.049537\n4.049537 4.049537 0.000000\nBe Cd Ga\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625241 0.124279 0.625241 Cd\n0.124279 0.625241 0.625241 Cd\n0.625241 0.625241 0.625241 Cd\n0.625241 0.625241 0.124279 Cd\n0.250000 0.250000 0.250000 Ga\n","nsites":6,"nelements":3,"elements":["Be","Cd","Ga"],"chemical_system":"Be-Cd-Ga","density":6.6061538815677805,"density_atomic":0.045175725985475826,"volume":132.8146890639682,"volume_molar":13.330479208980819,"formula_full":"Be1 Cd4 Ga1","formula_reduced":"BeCd4Ga","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-53430","created_at":"2022-09-04T14:38:14.327145Z","updated_at":"2022-09-04T14:38:14.327170Z","structure_string":"Sb1 Rh1 O4\n1.0\n3.211092 0.000000 0.000000\n0.000000 4.632550 -0.038199\n0.000000 -0.038199 4.632550\nSb Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n0.000000 0.307895 0.307895 O\n0.500000 0.806826 0.193174 O\n0.500000 0.193174 0.806826 O\n0.000000 0.692105 0.692105 O\n","nsites":6,"nelements":3,"elements":["Sb","Rh","O"],"chemical_system":"O-Rh-Sb","density":6.956277831077402,"density_atomic":0.08707386073015737,"volume":68.90701698175587,"volume_molar":6.9161292602640705,"formula_full":"Sb1 Rh1 O4","formula_reduced":"SbRhO4","formula_anonymous":"ABC4","energy_above_hull":2.4101305166666678,"spacegroup":65},{"id":"jvasp-118955","created_at":"2022-09-04T14:38:30.838576Z","updated_at":"2022-09-04T14:38:30.838595Z","structure_string":"Tl2 Bi2 F8\n1.0\n5.541511 -0.022354 -4.377342\n-1.313937 5.383531 -4.377342\n0.017627 0.022354 7.061809\nTl Bi F\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Tl\n0.500000 0.500000 0.000000 Bi\n0.250000 0.750000 0.500000 Bi\n0.375000 0.423232 0.548232 F\n0.875000 0.826768 0.451768 F\n0.576768 0.125000 0.951768 F\n0.875000 0.423233 0.048233 F\n0.173232 0.625000 0.048232 F\n0.375000 0.826767 0.951768 F\n0.173232 0.125000 0.548232 F\n0.576768 0.625000 0.451768 F\n","nsites":12,"nelements":3,"elements":["Tl","Bi","F"],"chemical_system":"Bi-F-Tl","density":7.682144022107912,"density_atomic":0.0567229115972625,"volume":211.55472563187556,"volume_molar":10.616769468319456,"formula_full":"Tl2 Bi2 F8","formula_reduced":"TlBiF4","formula_anonymous":"ABC4","energy_above_hull":0.0073516666666664,"spacegroup":141},{"id":"jvasp-20834","created_at":"2022-09-04T14:38:30.848308Z","updated_at":"2022-09-04T14:38:30.848334Z","structure_string":"Rb4 B4 F16\n1.0\n5.554744 -0.000000 0.000000\n-0.000000 7.221382 0.000000\n0.000000 0.000000 9.034116\nRb B F\n4 4 16\ndirect\n0.250000 0.162245 0.815701 Rb\n0.749999 0.837755 0.184299 Rb\n0.749999 0.662245 0.684299 Rb\n0.250000 0.337755 0.315701 Rb\n0.250000 0.691650 0.935439 B\n0.250000 0.808349 0.435438 B\n0.749999 0.191651 0.564562 B\n0.749999 0.308349 0.064562 B\n0.542347 0.193827 0.076821 F\n0.042347 0.806172 0.923179 F\n0.250000 0.937885 0.317897 F\n0.749999 0.062114 0.682103 F\n0.749999 0.437885 0.182103 F\n0.250000 0.562114 0.817897 F\n0.250000 0.898268 0.573614 F\n0.042347 0.693827 0.423179 F\n0.749999 0.398268 0.926387 F\n0.250000 0.601732 0.073613 F\n0.957652 0.306172 0.576822 F\n0.457652 0.806172 0.923179 F\n0.957652 0.193827 0.076821 F\n0.542347 0.306172 0.576822 F\n0.749999 0.101732 0.426387 F\n0.457652 0.693827 0.423179 F\n","nsites":24,"nelements":3,"elements":["Rb","B","F"],"chemical_system":"B-F-Rb","density":3.1575831426301995,"density_atomic":0.06622793461993076,"volume":362.38484768899,"volume_molar":9.093052341976078,"formula_full":"Rb4 B4 F16","formula_reduced":"RbBF4","formula_anonymous":"ABC4","energy_above_hull":0.0222922855555555,"spacegroup":62},{"id":"jvasp-110168","created_at":"2022-09-04T14:38:14.323620Z","updated_at":"2022-09-04T14:38:14.323643Z","structure_string":"Sr1 Ca1 Si4\n1.0\n4.180989 -0.009893 -6.239380\n-0.394754 4.162323 -6.239380\n0.009020 0.009893 7.510689\nSr Ca Si\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250001 0.749999 0.500000 Ca\n0.666254 0.166251 0.500000 Si\n0.586114 0.586113 0.000001 Si\n0.833750 0.333747 0.500001 Si\n0.413888 0.413887 0.000000 Si\n","nsites":6,"nelements":3,"elements":["Sr","Ca","Si"],"chemical_system":"Ca-Si-Sr","density":3.0382250645482363,"density_atomic":0.04573392519311569,"volume":131.1936374292049,"volume_molar":13.167775856917938,"formula_full":"Sr1 Ca1 Si4","formula_reduced":"SrCaSi4","formula_anonymous":"ABC4","energy_above_hull":2.0652368549999998,"spacegroup":119},{"id":"jvasp-21514","created_at":"2022-09-04T14:38:11.817167Z","updated_at":"2022-09-04T14:38:11.817206Z","structure_string":"Y2 P2 O8\n1.0\n5.529429 0.013800 -1.595797\n-3.125524 4.561346 -1.595797\n-0.007250 -0.013800 5.755093\nY P O\n2 2 8\ndirect\n0.125001 0.875001 0.250000 Y\n0.875000 0.125000 0.749999 Y\n0.375001 0.625001 0.749999 P\n0.625001 0.375000 0.250000 P\n0.784425 0.359189 0.074765 O\n0.709660 0.784425 0.925234 O\n0.359190 0.784425 0.574765 O\n0.784425 0.709659 0.425234 O\n0.290342 0.215576 0.074765 O\n0.215577 0.640812 0.925234 O\n0.215576 0.290341 0.574765 O\n0.640812 0.215576 0.425234 O\n","nsites":12,"nelements":3,"elements":["Y","P","O"],"chemical_system":"O-P-Y","density":4.2069402320410845,"density_atomic":0.08266860035385014,"volume":145.15789487950514,"volume_molar":7.28467729491386,"formula_full":"Y2 P2 O8","formula_reduced":"YPO4","formula_anonymous":"ABC4","energy_above_hull":2.334804158333334,"spacegroup":141},{"id":"jvasp-59764","created_at":"2022-09-04T14:38:19.727784Z","updated_at":"2022-09-04T14:38:19.727809Z","structure_string":"Nb8 Si2 Ni2\n1.0\n6.255058 0.000000 0.000000\n0.000000 6.255058 0.000000\n0.000000 -0.000000 4.992350\nNb Si Ni\n8 2 2\ndirect\n0.336845 0.153986 0.500000 Nb\n0.663156 0.846015 0.500000 Nb\n0.153986 0.663156 0.500000 Nb\n0.846015 0.336845 0.500000 Nb\n0.336845 0.846015 0.000000 Nb\n0.846015 0.663156 0.000000 Nb\n0.153986 0.336845 0.000000 Nb\n0.663156 0.153986 0.000000 Nb\n0.500000 0.500000 0.750000 Si\n0.500000 0.500000 0.250000 Si\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n","nsites":12,"nelements":3,"elements":["Nb","Si","Ni"],"chemical_system":"Nb-Ni-Si","density":7.793996072562818,"density_atomic":0.06143467130803067,"volume":195.32944092485727,"volume_molar":9.802511565179959,"formula_full":"Nb8 Si2 Ni2","formula_reduced":"Nb4SiNi","formula_anonymous":"ABC4","energy_above_hull":4.780478100000001,"spacegroup":124},{"id":"jvasp-118075","created_at":"2022-09-04T14:38:30.983676Z","updated_at":"2022-09-04T14:38:30.983714Z","structure_string":"Pd1 N1 Cl4\n1.0\n-3.963507 3.963507 1.989813\n3.963507 -3.963507 1.989813\n3.963507 3.963507 -1.989813\nPd N Cl\n1 1 4\ndirect\n-0.057491 -0.057491 -0.000000 Pd\n0.442539 0.442539 0.000000 N\n0.227694 0.024582 0.367250 Cl\n0.860443 0.227693 0.203111 Cl\n0.024582 0.657332 0.796889 Cl\n0.657332 0.860443 0.632750 Cl\n","nsites":6,"nelements":3,"elements":["Pd","N","Cl"],"chemical_system":"Cl-N-Pd","density":3.4826863715941214,"density_atomic":0.047986573057114824,"volume":125.03497578080122,"volume_molar":12.549637067919598,"formula_full":"Pd1 N1 Cl4","formula_reduced":"PdNCl4","formula_anonymous":"ABC4","energy_above_hull":1.4144525366666665,"spacegroup":87}]}