{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3392","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3390","results":[{"id":"jvasp-122036","created_at":"2022-09-04T14:38:54.034052Z","updated_at":"2022-09-04T14:38:54.034081Z","structure_string":"Sr4 H4 N4\n1.0\n3.950152 -0.000000 0.000000\n0.000000 5.599184 0.000000\n0.000000 -0.000000 7.526595\nSr H N\n4 4 4\ndirect\n0.750000 0.190233 0.351821 Sr\n0.750000 0.309767 0.851821 Sr\n0.250000 0.690232 0.148179 Sr\n0.250000 0.809767 0.648178 Sr\n0.250000 0.106382 0.016240 H\n0.250000 0.393617 0.516239 H\n0.750000 0.606382 0.483760 H\n0.750000 0.893617 0.983760 H\n0.250000 0.235296 0.115413 N\n0.250000 0.264704 0.615412 N\n0.750000 0.735296 0.384587 N\n0.750000 0.764704 0.884587 N\n","nsites":12,"nelements":3,"elements":["Sr","H","N"],"chemical_system":"H-N-Sr","density":4.095113636350452,"density_atomic":0.07208487530570666,"volume":166.47042738312138,"volume_molar":8.354236217320961,"formula_full":"Sr4 H4 N4","formula_reduced":"SrHN","formula_anonymous":"ABC","energy_above_hull":1.843199853333333,"spacegroup":62},{"id":"jvasp-100710","created_at":"2022-09-04T14:37:06.413710Z","updated_at":"2022-09-04T14:37:06.413747Z","structure_string":"Ca2 Zn1 In1\n1.0\n4.594484 -0.000000 2.652627\n1.531495 4.331721 2.652627\n-0.000000 -0.000000 5.305253\nCa Zn In\n2 1 1\ndirect\n0.749999 0.750000 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 In\n","nsites":4,"nelements":3,"elements":["Ca","Zn","In"],"chemical_system":"Ca-In-Zn","density":4.095042413530311,"density_atomic":0.03788407360076802,"volume":105.58526630881923,"volume_molar":15.896233397344876,"formula_full":"Ca2 Zn1 In1","formula_reduced":"Ca2ZnIn","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-48458","created_at":"2022-09-04T14:36:21.253831Z","updated_at":"2022-09-04T14:36:21.253861Z","structure_string":"Mn6 O2 F10\n1.0\n0.000000 5.804903 -0.010893\n4.791449 0.000000 0.000000\n0.000000 -0.283571 -8.041623\nMn O F\n6 2 10\ndirect\n0.410142 0.471711 0.668240 Mn\n0.745848 0.517985 0.015828 Mn\n0.064633 0.518021 0.327104 Mn\n0.935367 0.018021 0.672896 Mn\n0.589857 0.971711 0.331759 Mn\n0.254152 0.017984 0.984171 Mn\n0.220496 0.193607 0.771777 O\n0.779504 0.693607 0.228222 O\n0.281925 0.812302 0.214473 F\n0.445917 0.702331 0.898158 F\n0.126885 0.695834 0.562128 F\n0.375412 0.292230 0.423942 F\n0.554083 0.202331 0.101841 F\n0.718075 0.312302 0.785526 F\n0.873115 0.195834 0.437871 F\n0.944728 0.795981 0.900905 F\n0.055272 0.295981 0.099094 F\n0.624587 0.792230 0.576057 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.0949425473867676,"density_atomic":0.08047078207537,"volume":223.68367171007435,"volume_molar":7.48363642639832,"formula_full":"Mn6 O2 F10","formula_reduced":"Mn3OF5","formula_anonymous":"AB3C5","energy_above_hull":1.6363451818486592,"spacegroup":4},{"id":"jvasp-35748","created_at":"2022-09-04T14:37:28.914163Z","updated_at":"2022-09-04T14:37:28.914186Z","structure_string":"Al2 Sb2\n1.0\n2.193487 -3.799230 -0.000000\n2.193487 3.799230 0.000000\n0.000000 -0.000000 7.238138\nAl Sb\n2 2\ndirect\n0.666668 0.333334 0.499248 Al\n0.333334 0.666668 -0.000752 Al\n0.666668 0.333334 0.125652 Sb\n0.333334 0.666668 0.625653 Sb\n","nsites":4,"nelements":2,"elements":["Al","Sb"],"chemical_system":"Al-Sb","density":4.094716677091791,"density_atomic":0.03315679055411874,"volume":120.63893800189052,"volume_molar":18.162616644607446,"formula_full":"Al2 Sb2","formula_reduced":"AlSb","formula_anonymous":"AB","energy_above_hull":0.9811144500000002,"spacegroup":186},{"id":"jvasp-47042","created_at":"2022-09-04T14:38:05.235780Z","updated_at":"2022-09-04T14:38:05.235789Z","structure_string":"Li4 Ni6 O2 F12\n1.0\n5.936987 -0.012280 -0.015637\n1.226637 6.397921 -0.008743\n2.758430 2.635522 6.819575\nLi Ni O F\n4 6 2 12\ndirect\n0.316242 0.855821 0.468467 Li\n0.126164 0.301043 0.069490 Li\n0.873837 0.698957 0.930510 Li\n0.683759 0.144179 0.531532 Li\n0.781474 0.569613 0.655451 Ni\n0.925483 0.837172 0.220107 Ni\n0.352382 0.726055 0.931193 Ni\n0.647620 0.273945 0.068806 Ni\n0.074519 0.162828 0.779892 Ni\n0.218528 0.430386 0.344548 Ni\n0.068615 0.584993 0.136261 O\n0.931386 0.415006 0.863738 O\n0.539663 0.562959 0.133972 F\n0.095640 0.705700 0.436821 F\n0.460338 0.437041 0.866028 F\n0.626712 0.719543 0.438502 F\n0.771672 0.986783 0.000596 F\n0.173145 0.863522 0.727654 F\n0.323319 0.153458 0.269960 F\n0.676682 0.846542 0.730039 F\n0.826856 0.136478 0.272346 F\n0.228329 0.013217 0.999404 F\n0.373290 0.280457 0.561497 F\n0.904361 0.294300 0.563179 F\n","nsites":24,"nelements":4,"elements":["Li","Ni","O","F"],"chemical_system":"F-Li-Ni-O","density":4.094702615566464,"density_atomic":0.09248465038524,"volume":259.5025217701451,"volume_molar":6.511502973644909,"formula_full":"Li4 Ni6 O2 F12","formula_reduced":"Li2Ni3OF6","formula_anonymous":"AB2C3D6","energy_above_hull":0.4472335329166667,"spacegroup":2},{"id":"jvasp-56593","created_at":"2022-09-04T14:37:07.849547Z","updated_at":"2022-09-04T14:37:07.849564Z","structure_string":"Si3 As4\n1.0\n5.379778 0.000000 0.000000\n0.000000 5.379778 0.000000\n0.000000 -0.000000 5.379800\nSi As\n3 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.721365 0.721365 0.778629 As\n0.278635 0.278635 0.778629 As\n0.721365 0.278635 0.221371 As\n0.278635 0.721365 0.221371 As\n","nsites":7,"nelements":2,"elements":["Si","As"],"chemical_system":"As-Si","density":4.094688780983935,"density_atomic":0.04495760841312532,"volume":155.7022325492821,"volume_molar":13.395153729400436,"formula_full":"Si3 As4","formula_reduced":"Si3As4","formula_anonymous":"A3B4","energy_above_hull":3.0425889714285708,"spacegroup":215},{"id":"jvasp-109349","created_at":"2022-09-04T14:38:27.533725Z","updated_at":"2022-09-04T14:38:27.533746Z","structure_string":"Y2 Te1 S2\n1.0\n4.979562 -0.003210 -5.609635\n-0.476250 3.987576 -6.335336\n0.036847 0.003210 7.500846\nY Te S\n2 1 2\ndirect\n0.832661 0.332661 0.500000 Y\n0.167340 0.667340 0.500001 Y\n0.000000 0.000000 0.000000 Te\n0.700551 0.700552 -0.000000 S\n0.299449 0.299449 -0.000000 S\n","nsites":5,"nelements":3,"elements":["Y","Te","S"],"chemical_system":"S-Te-Y","density":4.094662316806295,"density_atomic":0.0333638028468732,"volume":149.8630124074298,"volume_molar":18.049923108703375,"formula_full":"Y2 Te1 S2","formula_reduced":"Y2TeS2","formula_anonymous":"AB2C2","energy_above_hull":1.8383017333333331,"spacegroup":71},{"id":"jvasp-92764","created_at":"2022-09-04T14:35:51.148566Z","updated_at":"2022-09-04T14:35:51.148591Z","structure_string":"K1 V1 O3\n1.0\n3.825438 0.000000 0.000000\n-0.000000 3.825438 0.000000\n-0.000000 0.000000 3.825438\nK V O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","V","O"],"chemical_system":"K-O-V","density":4.094531842356376,"density_atomic":0.08931543165466554,"volume":55.98136746774393,"volume_molar":6.742553496560775,"formula_full":"K1 V1 O3","formula_reduced":"KVO3","formula_anonymous":"ABC3","energy_above_hull":1.80469054,"spacegroup":221},{"id":"jvasp-34422","created_at":"2022-09-04T14:38:18.835865Z","updated_at":"2022-09-04T14:38:18.835883Z","structure_string":"Rb2 K1 Bi1 F6\n1.0\n5.834021 -0.000000 3.368274\n1.944674 5.500369 3.368274\n-0.000000 -0.000000 6.736547\nRb K Bi F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.762324 0.762325 0.237675 F\n0.762324 0.237676 0.237675 F\n0.237675 0.762325 0.762324 F\n0.237675 0.237676 0.762325 F\n0.762324 0.237676 0.762324 F\n0.237675 0.762325 0.237675 F\n","nsites":10,"nelements":4,"elements":["Rb","K","Bi","F"],"chemical_system":"Bi-F-K-Rb","density":4.094331416401725,"density_atomic":0.04625970320335987,"volume":216.17086378698804,"volume_molar":13.018113699360288,"formula_full":"Rb2 K1 Bi1 F6","formula_reduced":"KRb2BiF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-1408","created_at":"2022-09-04T14:36:04.806598Z","updated_at":"2022-09-04T14:36:04.806623Z","structure_string":"Al1 Sb1\n1.0\n3.812448 0.000000 2.201118\n1.270816 3.594410 2.201118\n0.000000 0.000000 4.402235\nAl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Sb\n","nsites":2,"nelements":2,"elements":["Al","Sb"],"chemical_system":"Al-Sb","density":4.094271158280346,"density_atomic":0.03315318298488162,"volume":60.326032674209046,"volume_molar":18.164593012822305,"formula_full":"Al1 Sb1","formula_reduced":"AlSb","formula_anonymous":"AB","energy_above_hull":0.9763444500000004,"spacegroup":216},{"id":"jvasp-66054","created_at":"2022-09-04T14:35:44.365015Z","updated_at":"2022-09-04T14:35:44.365041Z","structure_string":"Ba1 Ca1 Sn1\n1.0\n0.000000 3.915964 3.915964\n3.915964 -0.000000 3.915964\n3.915964 3.915964 0.000000\nBa Ca Sn\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Sn\n","nsites":3,"nelements":3,"elements":["Ba","Ca","Sn"],"chemical_system":"Ba-Ca-Sn","density":4.09414705272992,"density_atomic":0.02497900800587523,"volume":120.10084625035469,"volume_molar":24.108806717158476,"formula_full":"Ba1 Ca1 Sn1","formula_reduced":"BaCaSn","formula_anonymous":"ABC","energy_above_hull":0.0881454809523809,"spacegroup":216},{"id":"jvasp-11190","created_at":"2022-09-04T14:37:07.444924Z","updated_at":"2022-09-04T14:37:07.444945Z","structure_string":"Ca1 Sn1 B2 O6\n1.0\n4.478013 -0.012770 4.098799\n1.796971 4.101665 4.098799\n-0.019598 -0.012770 6.070615\nCa Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500001 0.500001 Sn\n0.759807 0.759810 0.759810 B\n0.240191 0.240192 0.240192 B\n0.730459 0.490231 0.051780 O\n0.051779 0.730461 0.490230 O\n0.509769 0.948221 0.269541 O\n0.269539 0.509771 0.948221 O\n0.948219 0.269541 0.509771 O\n0.490229 0.051780 0.730461 O\n","nsites":10,"nelements":4,"elements":["Ca","Sn","B","O"],"chemical_system":"B-Ca-O-Sn","density":4.094010530903746,"density_atomic":0.08919731127262186,"volume":112.11100264486774,"volume_molar":6.751482386721259,"formula_full":"Ca1 Sn1 B2 O6","formula_reduced":"CaSn(BO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.5425398286666665,"spacegroup":148}]}