{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4558","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4556","results":[{"id":"jvasp-28596","created_at":"2022-09-04T14:37:51.210207Z","updated_at":"2022-09-04T14:37:51.210242Z","structure_string":"Mo2 W2 Se6 S2\n1.0\n3.292333 0.000000 -0.000000\n-1.646166 2.851489 -0.001116\n-0.000000 -0.015268 32.595315\nMo W Se S\n2 2 6 2\ndirect\n0.333761 0.667524 0.080090 Mo\n0.665837 0.331676 0.275645 Mo\n0.332888 0.665780 0.471509 W\n0.667578 0.335158 0.675673 W\n0.334452 0.668907 0.727614 Se\n0.666879 0.333762 0.028453 Se\n0.665902 0.331804 0.419525 Se\n0.667279 0.334560 0.131779 Se\n0.666494 0.332989 0.523504 Se\n0.334015 0.668035 0.623671 Se\n0.332670 0.665344 0.322735 S\n0.332228 0.664458 0.228552 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":5.955295033015677,"density_atomic":0.03921486169051124,"volume":306.0064343642355,"volume_molar":15.356781843392728,"formula_full":"Mo2 W2 Se6 S2","formula_reduced":"MoWSe3S","formula_anonymous":"ABCD3","energy_above_hull":3.5943193333333325,"spacegroup":156},{"id":"jvasp-29152","created_at":"2022-09-04T14:37:40.985995Z","updated_at":"2022-09-04T14:37:40.986014Z","structure_string":"Te2 Mo2 W2 Se6\n1.0\n3.386359 -0.000000 0.000000\n-1.693180 2.932680 -0.000012\n0.000000 -0.000151 36.190690\nTe Mo W Se\n2 2 2 6\ndirect\n0.666659 0.333316 0.416801 Te\n0.666666 0.333331 0.521421 Te\n0.333333 0.666665 0.096399 Mo\n0.666698 0.333395 0.660225 Mo\n0.333328 0.666656 0.469110 W\n0.666645 0.333289 0.277185 W\n0.333311 0.666622 0.323115 Se\n0.333380 0.666759 0.705864 Se\n0.666679 0.333357 0.050754 Se\n0.666653 0.333305 0.142097 Se\n0.333304 0.666611 0.231280 Se\n0.333348 0.666697 0.614497 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":5.953134891992532,"density_atomic":0.0333877157935327,"volume":359.41362608353205,"volume_molar":18.036995394475312,"formula_full":"Te2 Mo2 W2 Se6","formula_reduced":"TeMoWSe3","formula_anonymous":"ABCD3","energy_above_hull":3.447885627777778,"spacegroup":156},{"id":"jvasp-29467","created_at":"2022-09-04T14:37:56.848001Z","updated_at":"2022-09-04T14:37:56.848031Z","structure_string":"Bi4 Te4 I4 O12\n1.0\n7.100558 0.000000 0.000000\n0.000000 7.809202 -2.012399\n0.000000 0.032756 9.144858\nBi Te I O\n4 4 4 12\ndirect\n0.133426 0.672709 0.405855 Bi\n0.866574 0.327291 0.594146 Bi\n0.633426 0.827291 0.594145 Bi\n0.366574 0.172710 0.405855 Bi\n0.820261 0.993294 0.261175 Te\n0.179739 0.006706 0.738825 Te\n0.679739 0.493295 0.261175 Te\n0.320261 0.506706 0.738825 Te\n0.659710 0.145802 0.869862 I\n0.840291 0.645802 0.869862 I\n0.340290 0.854198 0.130138 I\n0.159710 0.354198 0.130138 I\n0.879710 0.770782 0.287116 O\n0.506705 0.375001 0.611034 O\n0.651691 0.031341 0.434773 O\n0.151690 0.468660 0.565227 O\n0.120290 0.229218 0.712885 O\n0.006705 0.124999 0.388967 O\n0.348310 0.968659 0.565227 O\n0.993296 0.875001 0.611034 O\n0.620290 0.270782 0.287116 O\n0.848310 0.531341 0.434773 O\n0.493296 0.624999 0.388966 O\n0.379710 0.729218 0.712884 O\n","nsites":24,"nelements":4,"elements":["Bi","Te","I","O"],"chemical_system":"Bi-I-O-Te","density":6.693658671446177,"density_atomic":0.04728620409599145,"volume":507.54761264574694,"volume_molar":12.73551319064435,"formula_full":"Bi4 Te4 I4 O12","formula_reduced":"BiTeIO3","formula_anonymous":"ABCD3","energy_above_hull":1.4305514736111111,"spacegroup":14},{"id":"jvasp-40559","created_at":"2022-09-04T14:38:04.190731Z","updated_at":"2022-09-04T14:38:04.190747Z","structure_string":"Rb2 U2 Te6 Au2\n1.0\n4.401352 -0.000000 -0.000000\n2.200677 8.026364 0.000000\n-0.000000 -0.000000 11.382761\nRb U Te Au\n2 2 6 2\ndirect\n0.245145 0.509711 0.250000 Rb\n0.754856 0.490289 0.750000 Rb\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.631465 0.737068 0.045317 Te\n0.927959 0.144081 0.250000 Te\n0.631465 0.737068 0.454683 Te\n0.368534 0.262932 0.545316 Te\n0.072041 0.855919 0.750000 Te\n0.368534 0.262932 0.954684 Te\n0.538942 0.922116 0.250000 Au\n0.461058 0.077883 0.750000 Au\n","nsites":12,"nelements":4,"elements":["Rb","U","Te","Au"],"chemical_system":"Au-Rb-Te-U","density":7.460035199455554,"density_atomic":0.029842051441040334,"volume":402.11712735998367,"volume_molar":20.180049524738905,"formula_full":"Rb2 U2 Te6 Au2","formula_reduced":"RbUTe3Au","formula_anonymous":"ABCD3","energy_above_hull":1.391399478333334,"spacegroup":63},{"id":"jvasp-46896","created_at":"2022-09-04T14:38:02.723060Z","updated_at":"2022-09-04T14:38:02.723078Z","structure_string":"Li4 V4 O4 F12\n1.0\n5.995988 -0.000000 0.000000\n0.000000 5.995988 0.000000\n0.000000 0.000000 8.124287\nLi V O F\n4 4 4 12\ndirect\n0.245736 0.253912 0.385882 Li\n0.253912 0.754265 0.135882 Li\n0.746089 0.245736 0.635882 Li\n0.754265 0.746089 0.885882 Li\n0.014148 0.264445 0.016646 V\n0.264445 0.985853 0.766646 V\n0.735555 0.014148 0.266646 V\n0.985853 0.735555 0.516646 V\n0.776137 0.969333 0.476287 O\n0.969333 0.223863 0.226287 O\n0.030667 0.776137 0.726287 O\n0.223863 0.030667 0.976287 O\n0.787888 0.462961 0.960636 F\n0.015889 0.221196 0.759546 F\n0.212112 0.537039 0.460636 F\n0.220964 0.490726 0.021036 F\n0.221196 0.984112 0.509545 F\n0.462961 0.212112 0.710636 F\n0.490726 0.779036 0.771036 F\n0.509274 0.220964 0.271036 F\n0.537039 0.787888 0.210636 F\n0.778805 0.015889 0.009545 F\n0.779036 0.509274 0.521036 F\n0.984112 0.778805 0.259545 F\n","nsites":24,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.9762267579592243,"density_atomic":0.08216833271034951,"volume":292.08332709636545,"volume_molar":7.329028789264312,"formula_full":"Li4 V4 O4 F12","formula_reduced":"LiVOF3","formula_anonymous":"ABCD3","energy_above_hull":0.8152930912500002,"spacegroup":76},{"id":"jvasp-28678","created_at":"2022-09-04T14:37:39.101424Z","updated_at":"2022-09-04T14:37:39.101450Z","structure_string":"Te2 Mo2 W2 S6\n1.0\n3.283278 0.000000 0.000000\n-1.641639 2.843267 -0.000003\n0.000000 -0.000029 36.950825\nTe Mo W S\n2 2 2 6\ndirect\n0.333357 0.666714 0.709519 Te\n0.333354 0.666711 0.605441 Te\n0.333350 0.666699 0.093940 Mo\n0.666676 0.333353 0.657634 Mo\n0.333315 0.666630 0.469589 W\n0.666681 0.333361 0.281820 W\n0.333357 0.666715 0.323697 S\n0.666635 0.333268 0.052497 S\n0.666642 0.333283 0.427707 S\n0.666635 0.333269 0.135587 S\n0.666644 0.333287 0.511418 S\n0.333357 0.666715 0.239897 S\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","S"],"chemical_system":"Mo-S-Te-W","density":4.8483483286685365,"density_atomic":0.034788187776012724,"volume":344.9446713713062,"volume_molar":17.3108780450829,"formula_full":"Te2 Mo2 W2 S6","formula_reduced":"TeMoWS3","formula_anonymous":"ABCD3","energy_above_hull":3.691925611111111,"spacegroup":156},{"id":"jvasp-28674","created_at":"2022-09-04T14:37:38.361225Z","updated_at":"2022-09-04T14:37:38.361253Z","structure_string":"Mo2 W2 Se2 S6\n1.0\n3.224176 0.000000 -0.000000\n-1.612087 2.792172 -0.000013\n-0.000000 -0.000144 34.130623\nMo W Se S\n2 2 2 6\ndirect\n0.333309 0.666619 0.095931 Mo\n0.333320 0.666639 0.469331 Mo\n0.666681 0.333360 0.280253 W\n0.666690 0.333377 0.657393 W\n0.666638 0.333273 0.419203 Se\n0.666679 0.333355 0.519467 Se\n0.333349 0.666699 0.326147 S\n0.333334 0.666668 0.703204 S\n0.666639 0.333274 0.050347 S\n0.666656 0.333310 0.141568 S\n0.333337 0.666676 0.234368 S\n0.333374 0.666750 0.611538 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.917261662760239,"density_atomic":0.039054953209307575,"volume":307.2593618455587,"volume_molar":15.419659390514399,"formula_full":"Mo2 W2 Se2 S6","formula_reduced":"MoWSeS3","formula_anonymous":"ABCD3","energy_above_hull":3.751711544444444,"spacegroup":156},{"id":"jvasp-54433","created_at":"2022-09-04T14:37:39.507082Z","updated_at":"2022-09-04T14:37:39.507106Z","structure_string":"K2 Te2 O2 F6\n1.0\n0.000000 5.800824 -1.020505\n4.700363 0.000000 0.000000\n0.000000 -1.334707 -7.722524\nK Te O F\n2 2 2 6\ndirect\n0.255710 0.654165 0.631952 K\n0.744289 0.154166 0.368048 K\n0.750868 0.162144 0.849741 Te\n0.249131 0.662144 0.150260 Te\n0.543192 0.074627 0.688176 O\n0.456807 0.574627 0.311824 O\n0.581606 -0.007337 0.060580 F\n0.100476 0.279475 0.139348 F\n0.899523 0.779475 0.860652 F\n0.004733 0.703924 0.342544 F\n-0.004734 0.203924 0.657455 F\n0.418394 0.492662 -0.060579 F\n","nsites":12,"nelements":4,"elements":["K","Te","O","F"],"chemical_system":"F-K-O-Te","density":3.6689834990549213,"density_atomic":0.05530860747262172,"volume":216.96442106122655,"volume_molar":10.888252362855122,"formula_full":"K2 Te2 O2 F6","formula_reduced":"KTeOF3","formula_anonymous":"ABCD3","energy_above_hull":0.1110126526388891,"spacegroup":4},{"id":"jvasp-28675","created_at":"2022-09-04T14:37:35.940306Z","updated_at":"2022-09-04T14:37:35.940337Z","structure_string":"Mo2 W2 Se2 S6\n1.0\n3.224911 -0.000006 0.000001\n-1.612460 2.792848 -0.000038\n-0.000002 -0.000434 34.112706\nMo W Se S\n2 2 2 6\ndirect\n0.333309 0.666622 0.096638 Mo\n0.666687 0.333371 0.658154 Mo\n0.333337 0.666667 0.468952 W\n0.666668 0.333340 0.279173 W\n0.666673 0.333340 0.418492 Se\n0.666666 0.333327 0.519411 Se\n0.333352 0.666708 0.325043 S\n0.333363 0.666725 0.703728 S\n0.666632 0.333266 0.051063 S\n0.666652 0.333310 0.142253 S\n0.333318 0.666640 0.233318 S\n0.333345 0.666684 0.612522 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.9175377776440925,"density_atomic":0.039057146229449446,"volume":307.24210953620286,"volume_molar":15.418793591886267,"formula_full":"Mo2 W2 Se2 S6","formula_reduced":"MoWSeS3","formula_anonymous":"ABCD3","energy_above_hull":3.754296544444444,"spacegroup":156},{"id":"jvasp-29015","created_at":"2022-09-04T14:38:01.152930Z","updated_at":"2022-09-04T14:38:01.152963Z","structure_string":"Te6 Mo2 W2 Se2\n1.0\n3.507852 -0.000000 -0.000000\n-1.753926 3.037736 -0.000819\n-0.000000 -0.009308 35.501922\nTe Mo W Se\n6 2 2 2\ndirect\n0.333821 0.667647 0.335094 Te\n0.331846 0.663695 0.716994 Te\n0.668399 0.336801 0.028811 Te\n0.668687 0.337376 0.132085 Te\n0.333536 0.667075 0.231329 Te\n0.331573 0.663147 0.613289 Te\n0.335180 0.670361 0.080402 Mo\n0.332786 0.665576 0.474111 Mo\n0.666967 0.333936 0.283218 W\n0.665033 0.330068 0.665184 W\n0.665980 0.331961 0.428587 Se\n0.666182 0.332364 0.519641 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":6.509843547719648,"density_atomic":0.03172036101908997,"volume":378.30590871201474,"volume_molar":18.985095271695524,"formula_full":"Te6 Mo2 W2 Se2","formula_reduced":"Te3MoWSe","formula_anonymous":"ABCD3","energy_above_hull":3.309727094444445,"spacegroup":156},{"id":"jvasp-29160","created_at":"2022-09-04T14:37:55.509979Z","updated_at":"2022-09-04T14:37:55.510004Z","structure_string":"Mo2 W2 Se6 S2\n1.0\n3.290984 0.000000 0.000000\n-1.645492 2.850119 0.000059\n0.000000 0.000713 34.445938\nMo W Se S\n2 2 6 2\ndirect\n0.333335 0.666670 0.095120 Mo\n0.666691 0.333383 0.659670 Mo\n0.333348 0.666695 0.467127 W\n0.666621 0.333245 0.281001 W\n0.333343 0.666688 0.708569 Se\n0.666683 0.333366 0.046221 Se\n0.666692 0.333384 0.417902 Se\n0.666664 0.333329 0.144066 Se\n0.666671 0.333343 0.516366 Se\n0.333366 0.666734 0.610711 Se\n0.333280 0.666562 0.325788 S\n0.333298 0.666598 0.236209 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":5.640363074379696,"density_atomic":0.037141074727587604,"volume":323.0924276697533,"volume_molar":16.214233982644778,"formula_full":"Mo2 W2 Se6 S2","formula_reduced":"MoWSe3S","formula_anonymous":"ABCD3","energy_above_hull":3.5918959999999998,"spacegroup":156},{"id":"jvasp-14165","created_at":"2022-09-04T14:37:40.566389Z","updated_at":"2022-09-04T14:37:40.566408Z","structure_string":"Li2 S2 O6 F2\n1.0\n4.726562 -0.055583 0.062294\n-0.069479 5.624531 -0.656692\n0.069479 -0.014102 5.662720\nLi S O F\n2 2 6 2\ndirect\n0.000000 0.808386 0.808387 Li\n0.000000 0.191614 0.191614 Li\n0.711254 0.707851 0.292150 S\n0.288745 0.292150 0.707850 S\n0.232264 0.211125 0.463101 O\n0.767736 0.463102 0.211124 O\n0.195254 0.126079 0.873921 O\n0.804745 0.873922 0.126079 O\n0.232264 0.536899 0.788875 O\n0.767736 0.788876 0.536899 O\n0.373813 0.717744 0.282256 F\n0.626186 0.282256 0.717744 F\n","nsites":12,"nelements":4,"elements":["Li","S","O","F"],"chemical_system":"F-Li-O-S","density":2.3398662551138556,"density_atomic":0.07975844098556586,"volume":150.4542948898873,"volume_molar":7.550474514778751,"formula_full":"Li2 S2 O6 F2","formula_reduced":"LiSO3F","formula_anonymous":"ABCD3","energy_above_hull":1.47956346375,"spacegroup":12}]}