{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=69","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=67","results":[{"id":"jvasp-45929","created_at":"2022-09-04T14:38:07.045772Z","updated_at":"2022-09-04T14:38:07.045798Z","structure_string":"Li2 V2 Co2 O8\n1.0\n-4.118552 4.111195 -0.023165\n4.118552 -0.023165 4.111195\n4.118552 4.111195 -0.023165\nLi V Co O\n2 2 2 8\ndirect\n0.500000 0.000001 0.000000 Li\n0.500002 0.500002 0.500000 Li\n0.122900 0.250001 0.127101 V\n0.877104 0.750003 0.872899 V\n0.500001 0.000001 0.500000 Co\n0.000001 0.500001 0.500000 Co\n0.757424 0.009003 0.251578 O\n0.753416 0.499137 0.247451 O\n0.246586 -0.000864 0.254277 O\n0.239421 0.490999 0.251577 O\n0.760583 0.509004 0.748422 O\n0.753416 0.000867 0.745723 O\n0.246588 0.500867 0.752549 O\n0.242579 0.991000 0.748422 O\n","nsites":14,"nelements":4,"elements":["Li","V","Co","O"],"chemical_system":"Co-Li-O-V","density":4.313328549035234,"density_atomic":0.10056135624747793,"volume":139.21848831818156,"volume_molar":5.988523807475036,"formula_full":"Li2 V2 Co2 O8","formula_reduced":"LiVCoO4","formula_anonymous":"ABCD4","energy_above_hull":2.634787014285714,"spacegroup":74},{"id":"jvasp-48629","created_at":"2022-09-04T14:37:06.900815Z","updated_at":"2022-09-04T14:37:06.900837Z","structure_string":"Li1 Co1 Cu1 O4\n1.0\n0.000000 5.011348 2.196160\n2.775466 0.000000 0.000000\n0.000000 -3.913782 -7.088977\nLi Co Cu O\n1 1 1 4\ndirect\n0.500000 0.500001 0.000000 Li\n0.000001 0.500001 0.500000 Co\n0.500001 0.000000 0.500000 Cu\n0.643772 0.000000 0.261677 O\n0.138721 0.500001 0.348008 O\n0.356230 0.000000 0.738324 O\n0.861280 0.500001 0.651993 O\n","nsites":7,"nelements":4,"elements":["Li","Co","Cu","O"],"chemical_system":"Co-Cu-Li-O","density":4.297071971926744,"density_atomic":0.09365374367862817,"volume":74.74340827228889,"volume_molar":6.430218935683887,"formula_full":"Li1 Co1 Cu1 O4","formula_reduced":"LiCoCuO4","formula_anonymous":"ABCD4","energy_above_hull":1.9854621928571432,"spacegroup":10},{"id":"jvasp-111924","created_at":"2022-09-04T14:38:41.411854Z","updated_at":"2022-09-04T14:38:41.411879Z","structure_string":"Li4 Ti4 Co4 O16\n1.0\n5.904391 0.000143 -0.000081\n-0.000378 8.244437 0.000067\n0.000027 -0.000030 5.904419\nLi Ti Co O\n4 4 4 16\ndirect\n0.227047 -0.000001 0.000000 Li\n0.772950 0.500002 -0.000000 Li\n0.000001 0.249999 0.227051 Li\n-0.000000 0.750001 0.772952 Li\n0.500000 0.249998 0.223309 Ti\n0.223310 -0.000002 0.500002 Ti\n0.776691 0.500005 0.500001 Ti\n0.499999 0.750000 0.776688 Ti\n0.744114 0.875000 0.255883 Co\n0.255884 0.625000 0.255881 Co\n0.744121 0.125000 0.744118 Co\n0.255881 0.375001 0.744118 Co\n0.737064 0.737915 0.513279 O\n0.262936 0.762085 0.513275 O\n0.737066 0.262084 0.486723 O\n0.262937 0.237916 0.486724 O\n0.513277 0.487916 0.262935 O\n0.486722 0.012083 0.262936 O\n0.736549 0.754898 0.989537 O\n0.736548 0.245105 0.010468 O\n0.989534 0.495104 0.736550 O\n0.010468 0.004898 0.736546 O\n0.989532 0.504896 0.263454 O\n0.010466 0.995104 0.263451 O\n0.513276 0.512085 0.737064 O\n0.263449 0.254895 0.010468 O\n0.263454 0.745103 0.989534 O\n0.486725 0.987917 0.737065 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","Co","O"],"chemical_system":"Co-Li-O-Ti","density":4.107504400723132,"density_atomic":0.09741924253180435,"volume":287.417549883524,"volume_molar":6.181674793903224,"formula_full":"Li4 Ti4 Co4 O16","formula_reduced":"LiTiCoO4","formula_anonymous":"ABCD4","energy_above_hull":2.529093319047619,"spacegroup":95},{"id":"jvasp-48488","created_at":"2022-09-04T14:35:58.103670Z","updated_at":"2022-09-04T14:35:58.103690Z","structure_string":"Na2 Ni2 P2 O8\n1.0\n2.655590 4.182965 -0.000000\n-2.655590 4.182965 -0.000000\n0.000000 -0.000000 6.702768\nNa Ni P O\n2 2 2 8\ndirect\n0.312594 0.312594 0.750000 Na\n0.687407 0.687407 0.250000 Na\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.337514 0.337514 0.250000 P\n0.662487 0.662487 0.750000 P\n0.209647 0.689332 0.250000 O\n0.310669 0.790354 0.750000 O\n0.232765 0.232765 0.436521 O\n0.767236 0.767236 0.563480 O\n0.232765 0.232765 0.063479 O\n0.767236 0.767236 0.936521 O\n0.790354 0.310669 0.750000 O\n0.689332 0.209647 0.250000 O\n","nsites":14,"nelements":4,"elements":["Na","Ni","P","O"],"chemical_system":"Na-Ni-O-P","density":3.939802362922704,"density_atomic":0.09401531318031096,"volume":148.9119115430648,"volume_molar":6.4054892296643215,"formula_full":"Na2 Ni2 P2 O8","formula_reduced":"NaNiPO4","formula_anonymous":"ABCD4","energy_above_hull":1.841311557142857,"spacegroup":63},{"id":"jvasp-111547","created_at":"2022-09-04T14:38:40.384598Z","updated_at":"2022-09-04T14:38:40.384619Z","structure_string":"Mg2 Cr2 Ga2 S8\n1.0\n6.273519 -0.000001 3.612681\n2.067277 5.933190 3.663547\n-0.011301 0.021943 7.273058\nMg Cr Ga S\n2 2 2 8\ndirect\n0.873862 0.876138 0.876139 Mg\n0.126140 0.123861 0.123861 Mg\n0.500001 0.500000 -0.000000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.500001 0.500000 0.499999 Ga\n0.000001 0.499999 0.500002 Ga\n0.733079 0.740753 0.740753 S\n0.266367 0.252473 0.714794 S\n0.266367 0.714792 0.252474 S\n0.714585 0.259246 0.259247 S\n0.733634 0.285206 0.747526 S\n0.285417 0.740752 0.740753 S\n0.266922 0.259247 0.259247 S\n0.733635 0.747525 0.285207 S\n","nsites":14,"nelements":4,"elements":["Mg","Cr","Ga","S"],"chemical_system":"Cr-Ga-Mg-S","density":3.366051509290238,"density_atomic":0.05173316718305218,"volume":270.6194258407285,"volume_molar":11.640773391451777,"formula_full":"Mg2 Cr2 Ga2 S8","formula_reduced":"MgCrGaS4","formula_anonymous":"ABCD4","energy_above_hull":1.668529825000001,"spacegroup":74},{"id":"jvasp-117045","created_at":"2022-09-04T14:38:47.266491Z","updated_at":"2022-09-04T14:38:47.266511Z","structure_string":"Hf2 Cr2 Cu2 S8\n1.0\n6.236140 0.011289 -3.524390\n-2.102886 5.866814 -3.531184\n-0.024748 -0.011289 7.163110\nHf Cr Cu S\n2 2 2 8\ndirect\n0.249951 0.750000 -0.000048 Hf\n0.250048 0.250000 0.500048 Hf\n0.249999 0.750006 0.500006 Cr\n0.749999 0.749993 -0.000006 Cr\n0.880855 0.130855 0.750000 Cu\n0.619145 0.369145 0.250000 Cu\n0.501309 0.979498 0.978200 S\n0.010639 0.507904 0.502684 S\n0.501297 0.523109 0.521799 S\n0.505219 0.507955 0.997315 S\n0.998702 0.520501 0.021811 S\n0.994779 0.992095 0.002736 S\n0.998689 0.976890 0.478188 S\n0.489360 -0.007956 0.497264 S\n","nsites":14,"nelements":4,"elements":["Hf","Cr","Cu","S"],"chemical_system":"Cr-Cu-Hf-S","density":5.365236329034419,"density_atomic":0.05355806058577384,"volume":261.3985616148076,"volume_molar":11.24413523218503,"formula_full":"Hf2 Cr2 Cu2 S8","formula_reduced":"HfCrCuS4","formula_anonymous":"ABCD4","energy_above_hull":2.682688692857144,"spacegroup":74},{"id":"jvasp-116900","created_at":"2022-09-04T14:38:47.219976Z","updated_at":"2022-09-04T14:38:47.219999Z","structure_string":"Li4 Fe4 B4 O16\n1.0\n4.301908 -0.000000 0.000000\n0.000000 5.715000 0.000000\n-0.000000 -0.000000 9.847243\nLi Fe B O\n4 4 4 16\ndirect\n0.478670 0.250000 0.725024 Li\n0.978670 0.750000 0.774975 Li\n0.021331 0.250000 0.225024 Li\n0.521331 0.750000 0.274976 Li\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.586341 0.250000 0.415131 B\n0.086341 0.750000 0.084869 B\n0.913660 0.250000 0.915131 B\n0.413659 0.750000 0.584868 B\n0.720814 0.462095 0.357222 O\n0.720814 0.037905 0.357222 O\n0.220814 0.962095 0.142778 O\n0.220814 0.537905 0.142778 O\n0.746640 0.750000 0.079344 O\n0.752414 0.250000 0.059469 O\n0.247587 0.750000 0.940531 O\n0.753361 0.750000 0.579344 O\n0.779187 0.462095 0.857222 O\n0.779187 0.037905 0.857222 O\n0.279187 0.537905 0.642777 O\n0.279187 0.962095 0.642777 O\n0.246640 0.250000 0.420656 O\n0.747587 0.250000 0.559468 O\n0.253360 0.250000 0.920656 O\n0.252414 0.750000 0.440531 O\n","nsites":28,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.775013165488036,"density_atomic":0.11565542879513346,"volume":242.0984496075655,"volume_molar":5.2069676475518785,"formula_full":"Li4 Fe4 B4 O16","formula_reduced":"LiFeBO4","formula_anonymous":"ABCD4","energy_above_hull":2.6878688690476187,"spacegroup":62},{"id":"jvasp-113132","created_at":"2022-09-04T14:38:46.544943Z","updated_at":"2022-09-04T14:38:46.544977Z","structure_string":"Sm2 Mg2 Mn2 S8\n1.0\n6.722572 -0.000830 4.046217\n2.303770 6.179938 3.772421\n0.011081 -0.014425 7.602307\nSm Mg Mn S\n2 2 2 8\ndirect\n0.500002 0.500005 0.499993 Sm\n-0.000003 0.499997 0.500007 Sm\n0.874291 0.875874 0.875625 Mg\n0.125712 0.124124 0.124373 Mg\n0.499997 0.499999 -0.000002 Mn\n0.500001 0.000005 0.499998 Mn\n0.708845 0.761082 0.761056 S\n0.270870 0.227845 0.729828 S\n0.271489 0.729726 0.227896 S\n0.730793 0.238679 0.239232 S\n0.728501 0.270277 0.772104 S\n0.269209 0.761318 0.760771 S\n0.291154 0.238910 0.238955 S\n0.729137 0.772161 0.270169 S\n","nsites":14,"nelements":4,"elements":["Sm","Mg","Mn","S"],"chemical_system":"Mg-Mn-S-Sm","density":3.763343817808624,"density_atomic":0.04433084266878106,"volume":315.8072158610052,"volume_molar":13.584539335276272,"formula_full":"Sm2 Mg2 Mn2 S8","formula_reduced":"SmMgMnS4","formula_anonymous":"ABCD4","energy_above_hull":1.8425850237684729,"spacegroup":74},{"id":"jvasp-45915","created_at":"2022-09-04T14:38:06.546708Z","updated_at":"2022-09-04T14:38:06.546729Z","structure_string":"Li2 Ni2 P2 O8\n1.0\n4.811418 0.000001 0.000000\n0.000000 -2.777873 7.747471\n2.405710 -4.166810 0.000000\nLi Ni P O\n2 2 2 8\ndirect\n0.006157 0.018471 0.987686 Li\n0.569347 0.708040 0.861307 Li\n0.449302 0.347903 0.101397 Ni\n0.126206 0.378618 0.747587 Ni\n0.863781 0.591341 0.272440 P\n0.711724 0.135168 0.576555 P\n0.158743 0.522494 0.018799 O\n0.034216 0.204020 0.549028 O\n0.541294 0.522494 0.299964 O\n0.416756 0.204020 0.830196 O\n0.753050 0.204020 0.212737 O\n0.928097 0.784288 0.143808 O\n0.647408 0.942221 0.705186 O\n0.822457 0.522494 0.636249 O\n","nsites":14,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":3.4340247239902135,"density_atomic":0.09013453818571647,"volume":155.32336751039753,"volume_molar":6.681279874748747,"formula_full":"Li2 Ni2 P2 O8","formula_reduced":"LiNiPO4","formula_anonymous":"ABCD4","energy_above_hull":2.0662717,"spacegroup":148},{"id":"jvasp-97333","created_at":"2022-09-04T14:36:07.104924Z","updated_at":"2022-09-04T14:36:07.104948Z","structure_string":"K4 Ba4 P4 S16\n1.0\n6.695719 -0.000000 0.000000\n0.000000 9.907851 0.000000\n0.000000 0.000000 11.697611\nK Ba P S\n4 4 4 16\ndirect\n0.250000 0.333820 0.108642 K\n0.750000 0.666180 0.891358 K\n0.750000 0.833820 0.391358 K\n0.250000 0.166180 0.608642 K\n0.250000 0.887723 0.144696 Ba\n0.750000 0.387723 0.355304 Ba\n0.250000 0.612276 0.644696 Ba\n0.750000 0.112277 0.855304 Ba\n0.750000 0.103033 0.182133 P\n0.250000 0.603033 0.317867 P\n0.750000 0.396967 0.682133 P\n0.250000 0.896967 0.817867 P\n0.250000 0.427423 0.414805 S\n0.498792 0.607990 0.215301 S\n0.998792 0.392010 0.784699 S\n0.501208 0.107990 0.284699 S\n0.501208 0.392010 0.784699 S\n0.250000 0.072577 0.914805 S\n0.001208 0.607990 0.215301 S\n0.998792 0.107990 0.284699 S\n0.250000 0.722932 0.915580 S\n0.750000 0.277068 0.084420 S\n0.001208 0.892010 0.715301 S\n0.250000 0.777068 0.415580 S\n0.750000 0.572577 0.585195 S\n0.750000 0.927423 0.085195 S\n0.498792 0.892010 0.715301 S\n0.750000 0.222932 0.584420 S\n","nsites":28,"nelements":4,"elements":["K","Ba","P","S"],"chemical_system":"Ba-K-P-S","density":2.8729866263213655,"density_atomic":0.03608146563282322,"volume":776.0216917166599,"volume_molar":16.69039950118233,"formula_full":"K4 Ba4 P4 S16","formula_reduced":"KBaPS4","formula_anonymous":"ABCD4","energy_above_hull":1.343819924285714,"spacegroup":62},{"id":"jvasp-122491","created_at":"2022-09-04T14:38:54.367225Z","updated_at":"2022-09-04T14:38:54.367258Z","structure_string":"Ba4 Na4 V4 S16\n1.0\n9.428956 0.000000 0.000000\n-0.000000 6.137399 2.170412\n-0.000000 0.050970 12.188568\nBa Na V S\n4 4 4 16\ndirect\n0.882115 0.377103 0.344543 Ba\n0.617886 0.377103 0.844544 Ba\n0.117885 0.622897 0.655457 Ba\n0.382115 0.622897 0.155456 Ba\n0.121442 0.226387 0.022073 Na\n0.378558 0.226387 0.522073 Na\n0.878559 0.773613 0.977927 Na\n0.621442 0.773613 0.477927 Na\n0.117432 0.879094 0.316283 V\n0.382568 0.879094 0.816283 V\n0.882568 0.120906 0.683717 V\n0.617433 0.120906 0.183717 V\n0.330634 0.218231 0.766510 S\n0.169366 0.218231 0.266510 S\n0.064413 0.790970 0.164055 S\n0.435587 0.790970 0.664055 S\n0.935587 0.209030 0.835945 S\n0.564413 0.209030 0.335945 S\n0.432133 0.179709 0.075280 S\n0.705717 0.319408 0.591622 S\n0.567868 0.820291 0.924720 S\n0.932133 0.820291 0.424720 S\n0.294284 0.680592 0.408378 S\n0.205716 0.680592 0.908378 S\n0.830634 0.781769 0.733490 S\n0.794284 0.319408 0.091622 S\n0.067868 0.179709 0.575280 S\n0.669366 0.781769 0.233490 S\n","nsites":28,"nelements":4,"elements":["Ba","Na","V","S"],"chemical_system":"Ba-Na-S-V","density":3.201948264629337,"density_atomic":0.03975576407824422,"volume":704.3003863513368,"volume_molar":15.147843085464759,"formula_full":"Ba4 Na4 V4 S16","formula_reduced":"BaNaVS4","formula_anonymous":"ABCD4","energy_above_hull":1.5801927385714287,"spacegroup":14},{"id":"jvasp-57445","created_at":"2022-09-04T14:38:32.065194Z","updated_at":"2022-09-04T14:38:32.065223Z","structure_string":"Mn4 V4 Ag4 O16\n1.0\n5.377234 0.000000 0.000000\n-0.000000 6.757470 0.000000\n0.000000 0.000000 9.572377\nMn V Ag O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.978199 0.750000 0.678105 V\n0.478200 0.250000 0.821895 V\n0.021800 0.250000 0.321895 V\n0.521799 0.750000 0.178105 V\n0.503102 0.750000 0.847254 Ag\n0.003102 0.250000 0.652747 Ag\n0.496898 0.250000 0.152747 Ag\n0.996897 0.750000 0.347254 Ag\n0.684848 0.548338 0.113517 O\n0.184848 0.451662 0.386483 O\n0.684848 0.951662 0.113517 O\n0.184848 0.048338 0.386483 O\n0.315152 0.451662 0.886483 O\n0.815151 0.548338 0.613517 O\n0.211394 0.750000 0.116691 O\n0.437437 0.250000 0.635188 O\n0.788605 0.250000 0.883309 O\n0.288606 0.750000 0.616691 O\n0.562562 0.750000 0.364813 O\n0.062563 0.250000 0.135188 O\n0.815151 0.951662 0.613517 O\n0.937436 0.750000 0.864813 O\n0.711394 0.250000 0.383309 O\n0.315152 0.048338 0.886483 O\n","nsites":28,"nelements":4,"elements":["Mn","V","Ag","O"],"chemical_system":"Ag-Mn-O-V","density":5.303871832034662,"density_atomic":0.08049986915022779,"volume":347.8266523358786,"volume_molar":7.480932358736585,"formula_full":"Mn4 V4 Ag4 O16","formula_reduced":"MnVAgO4","formula_anonymous":"ABCD4","energy_above_hull":2.675513243054187,"spacegroup":62}]}