{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=601","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=599","results":[{"id":"jvasp-117626","created_at":"2022-09-04T14:38:36.268600Z","updated_at":"2022-09-04T14:38:36.268626Z","structure_string":"Ba1 Se3\n1.0\n8.468024 0.238100 -1.257789\n-5.177769 -4.399643 0.879580\n2.570880 2.622245 -3.851745\nBa Se\n1 3\ndirect\n0.688427 0.076908 0.456243 Ba\n0.185925 0.073817 -0.029375 Se\n0.673351 0.561488 0.458440 Se\n0.120269 0.150823 0.666846 Se\n","nsites":4,"nelements":2,"elements":["Ba","Se"],"chemical_system":"Ba-Se","density":5.067941879584437,"density_atomic":0.03262350450195048,"volume":122.61098435212102,"volume_molar":18.459515162265756,"formula_full":"Ba1 Se3","formula_reduced":"BaSe3","formula_anonymous":"AB3","energy_above_hull":1.0581041833333331,"spacegroup":8},{"id":"jvasp-31716","created_at":"2022-09-04T14:38:36.268171Z","updated_at":"2022-09-04T14:38:36.268197Z","structure_string":"Nb1 W3 Se8\n1.0\n3.365228 -0.196451 -13.090315\n1.513452 -3.012025 13.090302\n-3.364821 0.196972 -13.090218\nNb W Se\n1 3 8\ndirect\n0.799507 0.674602 0.125095 Nb\n0.208374 0.333302 0.874900 W\n0.284179 0.659270 0.625091 W\n0.708401 0.333301 0.374928 W\n0.028306 0.337499 0.691053 Se\n0.605247 0.666502 0.938539 Se\n0.478118 0.666660 0.811282 Se\n0.896442 0.337431 0.559128 Se\n0.517453 0.329162 0.188523 Se\n0.105369 0.666636 0.438529 Se\n0.977973 0.666527 0.311272 Se\n0.390633 0.329102 0.061655 Se\n","nsites":12,"nelements":3,"elements":["Nb","W","Se"],"chemical_system":"Nb-Se-W","density":8.228087265634876,"density_atomic":0.046595519457875045,"volume":257.5354913866487,"volume_molar":12.924291498551385,"formula_full":"Nb1 W3 Se8","formula_reduced":"NbW3Se8","formula_anonymous":"AB3C8","energy_above_hull":4.056627194444444,"spacegroup":44},{"id":"jvasp-55807","created_at":"2022-09-04T14:38:36.256052Z","updated_at":"2022-09-04T14:38:36.256087Z","structure_string":"Mn4 Se4 O16\n1.0\n5.008403 -0.000000 0.000000\n-0.000000 6.903886 0.000000\n0.000000 0.000000 9.366667\nMn Se O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.520285 0.750000 0.181354 Se\n0.020286 0.250000 0.318646 Se\n0.479714 0.250000 0.818646 Se\n0.979714 0.750000 0.681355 Se\n0.056236 0.250000 0.136818 O\n0.943763 0.750000 0.863182 O\n0.300235 0.750000 0.623262 O\n0.800235 0.250000 0.876739 O\n0.699764 0.250000 0.376738 O\n0.199764 0.750000 0.123262 O\n0.667609 0.952136 0.124530 O\n0.332391 0.047865 0.875471 O\n0.332391 0.452135 0.875471 O\n0.832390 0.547865 0.624530 O\n0.443763 0.250000 0.636818 O\n0.832390 0.952136 0.624530 O\n0.667609 0.547865 0.124530 O\n0.167609 0.452135 0.375471 O\n0.167609 0.047865 0.375471 O\n0.556236 0.750000 0.363182 O\n","nsites":24,"nelements":3,"elements":["Mn","Se","O"],"chemical_system":"Mn-O-Se","density":4.0585169736097475,"density_atomic":0.07410257209158912,"volume":323.8753976088244,"volume_molar":8.12676347125545,"formula_full":"Mn4 Se4 O16","formula_reduced":"MnSeO4","formula_anonymous":"ABC4","energy_above_hull":2.6636324346743296,"spacegroup":62},{"id":"jvasp-54558","created_at":"2022-09-04T14:38:36.255731Z","updated_at":"2022-09-04T14:38:36.255757Z","structure_string":"Sr2 Tl1 Cu1 O5\n1.0\n3.726375 0.000000 0.000000\n0.000000 3.726621 0.000000\n0.000000 0.000000 9.035440\nSr Tl Cu O\n2 1 1 5\ndirect\n0.500001 0.500000 0.287610 Sr\n0.500001 0.500000 0.712390 Sr\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 O\n0.500001 0.000000 0.500000 O\n0.000000 0.000000 0.767284 O\n0.000000 0.000000 0.232716 O\n0.500001 0.500000 0.000000 O\n","nsites":9,"nelements":4,"elements":["Sr","Tl","Cu","O"],"chemical_system":"Cu-O-Sr-Tl","density":6.923692438948576,"density_atomic":0.0717284454572754,"volume":125.47323370281032,"volume_molar":8.395749721896665,"formula_full":"Sr2 Tl1 Cu1 O5","formula_reduced":"Sr2TlCuO5","formula_anonymous":"ABC2D5","energy_above_hull":1.0938614633333332,"spacegroup":123},{"id":"jvasp-119177","created_at":"2022-09-04T14:38:36.253946Z","updated_at":"2022-09-04T14:38:36.253961Z","structure_string":"K1 Fe4 Si3 O12\n1.0\n5.210468 -0.020180 -0.468415\n-2.683587 4.502681 -0.403539\n0.100037 0.126158 10.095565\nK Fe Si O\n1 4 3 12\ndirect\n0.501715 0.512238 0.008407 K\n0.990153 0.986422 0.497829 Fe\n0.657104 0.345286 0.496158 Fe\n0.380869 0.660778 0.510434 Fe\n0.091119 0.766286 0.777513 Fe\n0.770188 0.105090 0.782844 Si\n0.899991 0.241732 0.228859 Si\n0.234399 0.911684 0.228468 Si\n0.727162 0.060315 0.610405 O\n0.010844 0.689205 0.586951 O\n0.652346 0.631362 0.390490 O\n0.351832 0.320748 0.588129 O\n0.548015 0.053874 0.164088 O\n0.053180 0.063367 0.166263 O\n0.471825 0.835055 0.828396 O\n0.813697 0.422205 0.840632 O\n0.947277 0.281876 0.391862 O\n0.056970 0.085951 0.841555 O\n0.046264 0.559596 0.168991 O\n0.295055 0.966936 0.391715 O\n","nsites":20,"nelements":4,"elements":["K","Fe","Si","O"],"chemical_system":"Fe-K-O-Si","density":3.7755197787011814,"density_atomic":0.0844089352665796,"volume":236.9417400756942,"volume_molar":7.134482553275818,"formula_full":"K1 Fe4 Si3 O12","formula_reduced":"KFe4(SiO4)3","formula_anonymous":"AB3C4D12","energy_above_hull":3.12895589,"spacegroup":1},{"id":"jvasp-59832","created_at":"2022-09-04T14:38:36.252175Z","updated_at":"2022-09-04T14:38:36.252204Z","structure_string":"Y2 Sn6 Se4 Cl2 O16\n1.0\n7.126600 0.000000 0.000000\n0.000000 7.399157 0.000000\n0.000000 0.000000 10.458472\nY Sn Se Cl O\n2 6 4 2 16\ndirect\n0.500000 0.678603 0.000000 Y\n0.000000 0.321398 0.500000 Y\n0.750000 0.000000 0.750000 Sn\n0.750000 0.000000 0.250000 Sn\n0.250000 0.000000 0.750000 Sn\n0.000000 0.833484 0.500000 Sn\n0.500000 0.166517 0.000000 Sn\n0.250000 0.000000 0.250000 Sn\n0.500000 0.438699 0.318632 Se\n0.000000 0.561301 0.181368 Se\n0.000000 0.561301 0.818632 Se\n0.500000 0.438699 0.681368 Se\n0.500000 0.879822 0.500000 Cl\n0.000000 0.120178 0.000000 Cl\n0.190538 0.701055 0.151236 O\n0.809462 0.701055 0.151236 O\n0.690538 0.298945 0.651236 O\n0.000000 0.071723 0.375628 O\n0.500000 0.928278 0.124372 O\n0.309462 0.298945 0.651236 O\n0.190538 0.701055 0.848763 O\n0.500000 0.928278 0.875628 O\n0.309462 0.298945 0.348764 O\n0.690538 0.298945 0.348764 O\n0.809462 0.701055 0.848763 O\n0.000000 0.559927 0.349647 O\n0.500000 0.440074 0.849647 O\n0.000000 0.559927 0.650353 O\n0.000000 0.071723 0.624372 O\n0.500000 0.440074 0.150353 O\n","nsites":30,"nelements":5,"elements":["Y","Sn","Se","Cl","O"],"chemical_system":"Cl-O-Se-Sn-Y","density":4.615343403168118,"density_atomic":0.05439868364321848,"volume":551.483932897334,"volume_molar":11.070379569287134,"formula_full":"Y2 Sn6 Se4 Cl2 O16","formula_reduced":"YSn3Se2ClO8","formula_anonymous":"ABC2D3E8","energy_above_hull":2.088285290055555,"spacegroup":59},{"id":"jvasp-21252","created_at":"2022-09-04T14:38:36.248528Z","updated_at":"2022-09-04T14:38:36.248556Z","structure_string":"Tl12 Sb4 Se12\n1.0\n9.549086 -0.000000 -0.000000\n-0.000000 9.549086 -0.000000\n-0.000000 -0.000000 9.549086\nTl Sb Se\n12 4 12\ndirect\n0.692663 0.807338 0.192662 Tl\n0.807338 0.192662 0.692663 Tl\n0.192662 0.692663 0.807338 Tl\n0.307338 0.307338 0.307338 Tl\n0.447613 0.052388 0.947613 Tl\n0.052388 0.947613 0.447613 Tl\n0.947613 0.447613 0.052388 Tl\n0.552388 0.552388 0.552388 Tl\n0.910615 0.589386 0.410615 Tl\n0.589386 0.410615 0.910615 Tl\n0.410615 0.910615 0.589386 Tl\n0.089385 0.089385 0.089385 Tl\n0.198443 0.301558 0.698443 Sb\n0.301558 0.698443 0.198443 Sb\n0.698443 0.198443 0.301558 Sb\n0.801558 0.801558 0.801558 Sb\n0.893689 0.549589 0.738105 Se\n0.393689 0.950412 0.261895 Se\n0.106311 0.049589 0.761896 Se\n0.950412 0.261895 0.393689 Se\n0.761896 0.106311 0.049589 Se\n0.261895 0.393689 0.950412 Se\n0.549589 0.738105 0.893689 Se\n0.738105 0.893689 0.549589 Se\n0.049589 0.761896 0.106311 Se\n0.450411 0.238105 0.606311 Se\n0.238105 0.606311 0.450411 Se\n0.606311 0.450411 0.238105 Se\n","nsites":28,"nelements":3,"elements":["Tl","Sb","Se"],"chemical_system":"Sb-Se-Tl","density":7.413035089722017,"density_atomic":0.03215678466012752,"volume":870.733821678332,"volume_molar":18.727434423713053,"formula_full":"Tl12 Sb4 Se12","formula_reduced":"Tl3SbSe3","formula_anonymous":"AB3C3","energy_above_hull":0.5750891428571427,"spacegroup":198},{"id":"jvasp-40208","created_at":"2022-09-04T14:38:36.246256Z","updated_at":"2022-09-04T14:38:36.246277Z","structure_string":"Ca8 Sn2 S12\n1.0\n-0.000578 -6.495785 4.514746\n5.626901 3.247399 4.513375\n-5.624680 3.249346 4.514755\nCa Sn S\n8 2 12\ndirect\n0.750007 0.750001 0.750266 Ca\n0.250010 0.250000 0.250263 Ca\n0.250008 0.636324 0.863937 Ca\n0.636334 0.863677 0.250263 Ca\n0.863683 0.250001 0.636588 Ca\n0.363685 0.136326 0.750262 Ca\n0.136333 0.750000 0.363938 Ca\n0.750010 0.363674 0.136588 Ca\n0.500009 0.499995 0.500271 Sn\n0.000005 0.000003 0.000269 Sn\n0.686904 0.051394 0.935057 S\n0.186903 0.434791 0.551656 S\n0.551402 0.186895 0.435056 S\n0.434800 0.551394 0.187154 S\n0.065219 0.313107 0.948871 S\n0.565216 0.448608 0.813368 S\n0.313118 0.948604 0.065473 S\n0.813116 0.565211 0.448873 S\n0.448613 0.813109 0.565474 S\n0.051401 0.934789 0.687154 S\n0.948618 0.065209 0.313368 S\n0.934799 0.686893 0.051658 S\n","nsites":22,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.163240493835212,"density_atomic":0.04445034803952746,"volume":494.93425744240534,"volume_molar":13.548017114837467,"formula_full":"Ca8 Sn2 S12","formula_reduced":"Ca4SnS6","formula_anonymous":"AB4C6","energy_above_hull":0.9480503072727272,"spacegroup":167},{"id":"jvasp-20911","created_at":"2022-09-04T14:38:36.245464Z","updated_at":"2022-09-04T14:38:36.245487Z","structure_string":"Nd8 P8 S32\n1.0\n9.785104 0.000000 -4.798754\n-2.353377 9.497888 -4.798754\n0.014433 0.018446 12.405175\nNd P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Nd\n0.874999 0.625000 0.750001 Nd\n0.624999 0.875000 0.250000 Nd\n0.375000 0.625000 0.750001 Nd\n0.625000 0.375000 0.250000 Nd\n0.125000 0.875000 0.250000 Nd\n0.874999 0.125000 0.750000 Nd\n0.375000 0.125000 0.750000 Nd\n0.287423 0.250000 0.500000 P\n0.787423 0.250000 0.500000 P\n0.749999 0.787423 0.000000 P\n0.250000 0.712577 0.000000 P\n0.712576 0.750000 0.500001 P\n0.212577 0.750000 0.500000 P\n0.250000 0.212577 0.000000 P\n0.750000 0.287423 0.000000 P\n0.906545 0.886688 0.995594 S\n0.165401 0.732667 0.826230 S\n0.093454 0.113312 0.004407 S\n0.391094 0.093454 0.504407 S\n0.113312 0.910954 0.504407 S\n0.108905 0.589047 0.495593 S\n0.406546 0.108906 0.995594 S\n0.906436 0.839173 0.673771 S\n0.386687 0.406547 0.495593 S\n0.910953 0.391095 0.004407 S\n0.589046 0.386688 0.995594 S\n0.767333 0.334599 0.673771 S\n0.839172 0.767334 0.173771 S\n0.334598 0.906437 0.173771 S\n0.608905 0.906547 0.495594 S\n0.886687 0.089047 0.495593 S\n0.410953 0.613313 0.004407 S\n0.593453 0.891095 0.004407 S\n0.891094 0.410953 0.504407 S\n0.613312 0.593454 0.504407 S\n0.339172 0.406437 0.173771 S\n0.089046 0.608906 0.995594 S\n0.267333 0.339173 0.673771 S\n0.665401 0.093563 0.826230 S\n0.160827 0.232667 0.826230 S\n0.232666 0.665402 0.326230 S\n0.093563 0.160828 0.326230 S\n0.660827 0.593563 0.826230 S\n0.732666 0.660828 0.326230 S\n0.593562 0.165402 0.326230 S\n0.406437 0.834599 0.673771 S\n0.834598 0.267334 0.173771 S\n","nsites":48,"nelements":3,"elements":["Nd","P","S"],"chemical_system":"Nd-P-S","density":3.4915289910476375,"density_atomic":0.04157131809223557,"volume":1154.6422438061963,"volume_molar":14.486287749256569,"formula_full":"Nd8 P8 S32","formula_reduced":"NdPS4","formula_anonymous":"ABC4","energy_above_hull":2.0631445,"spacegroup":142},{"id":"jvasp-59861","created_at":"2022-09-04T14:38:36.239524Z","updated_at":"2022-09-04T14:38:36.239550Z","structure_string":"Y2 Mn4 S8\n1.0\n6.625993 -0.108935 -3.492322\n-1.877736 6.410092 -3.390692\n-0.321511 -0.289169 7.477028\nY Mn S\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.370746 0.620747 0.750000 Mn\n0.629253 0.379255 0.250000 Mn\n0.500001 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.742249 0.766738 0.524644 S\n0.742095 0.217609 0.975358 S\n0.238765 0.236103 0.002825 S\n0.257750 0.233262 0.475357 S\n0.266721 0.764059 0.502824 S\n0.257904 0.782393 0.024644 S\n0.733277 0.235940 0.497176 S\n0.761234 0.763898 -0.002824 S\n","nsites":14,"nelements":3,"elements":["Y","Mn","S"],"chemical_system":"Mn-S-Y","density":3.6164014212838778,"density_atomic":0.04661461734177954,"volume":300.33497641633846,"volume_molar":12.918996450931933,"formula_full":"Y2 Mn4 S8","formula_reduced":"Y(MnS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.932111418965517,"spacegroup":74},{"id":"jvasp-59876","created_at":"2022-09-04T14:38:36.235473Z","updated_at":"2022-09-04T14:38:36.235484Z","structure_string":"Y2 Cr4 S8\n1.0\n6.620243 0.000000 -3.475712\n-1.824793 6.363784 -3.475712\n-0.304909 -0.404629 7.461932\nY Cr S\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Y\n0.624999 0.375000 0.250000 Y\n0.000000 0.500001 0.000001 Cr\n0.000001 -0.000000 0.500000 Cr\n0.500001 -0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.766501 0.799271 0.533003 S\n0.766269 0.233499 0.966998 S\n0.200730 0.233499 0.966997 S\n0.233498 0.200729 0.466998 S\n0.233497 0.766267 0.466997 S\n0.233731 0.766501 0.033003 S\n0.766501 0.233731 0.533002 S\n0.799270 0.766501 0.033002 S\n","nsites":14,"nelements":3,"elements":["Y","Cr","S"],"chemical_system":"Cr-S-Y","density":3.6064107399191414,"density_atomic":0.04733749997912849,"volume":295.7486138087715,"volume_molar":12.721712728080727,"formula_full":"Y2 Cr4 S8","formula_reduced":"Y(CrS2)2","formula_anonymous":"AB2C4","energy_above_hull":3.1186757500000004,"spacegroup":227},{"id":"jvasp-51056","created_at":"2022-09-04T14:38:36.232029Z","updated_at":"2022-09-04T14:38:36.232061Z","structure_string":"Cu4 As4 Pb4 S12\n1.0\n0.000000 8.125979 -0.000018\n7.698503 0.000000 0.000000\n0.000000 -0.000019 -8.793964\nCu As Pb S\n4 4 4 12\ndirect\n0.276733 0.759958 0.569198 Cu\n0.723264 0.259959 0.069198 Cu\n0.723264 0.740041 0.069198 Cu\n0.276733 0.240041 0.569198 Cu\n0.935818 0.000000 0.424195 As\n0.503502 0.500000 0.339754 As\n0.496496 0.000000 0.839754 As\n0.064180 0.500000 0.924195 As\n0.556083 0.500000 0.808856 Pb\n0.443915 0.000000 0.308856 Pb\n0.078430 0.000000 -0.000034 Pb\n0.921568 0.500000 0.499966 Pb\n0.221677 0.500000 0.702776 S\n0.247674 0.000000 0.716780 S\n0.559459 0.274985 0.506652 S\n0.440539 0.774985 0.006652 S\n0.559459 0.725015 0.506652 S\n0.893621 0.729309 0.855428 S\n0.893621 0.270691 0.855428 S\n0.106378 0.229309 0.355428 S\n0.440539 0.225015 0.006652 S\n0.752323 0.500000 0.216780 S\n0.778321 0.000000 0.202776 S\n0.106378 0.770690 0.355428 S\n","nsites":24,"nelements":4,"elements":["Cu","As","Pb","S"],"chemical_system":"As-Cu-Pb-S","density":5.334941604810524,"density_atomic":0.04362591805912328,"volume":550.1316893199682,"volume_molar":13.804043623422656,"formula_full":"Cu4 As4 Pb4 S12","formula_reduced":"CuAsPbS3","formula_anonymous":"ABCD3","energy_above_hull":1.3862905033333333,"spacegroup":31}]}