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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1570",
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"results": [
{
"id": "jvasp-38251",
"created_at": "2022-09-04T14:38:16.552975Z",
"updated_at": "2022-09-04T14:38:16.553003Z",
"structure_string": "Rb4 Be4 H12\n1.0\n0.000000 6.835772 -0.005012\n5.631392 0.000000 0.000000\n0.000000 -2.434681 -9.286439\nRb Be H\n4 4 12\ndirect\n0.233330 0.249976 0.200752 Rb\n0.766670 0.749976 0.299248 Rb\n0.233330 0.250024 0.700752 Rb\n0.766670 0.750023 0.799248 Rb\n0.751853 0.250014 0.000945 Be\n0.248147 0.750014 0.499055 Be\n0.751853 0.249985 0.500945 Be\n0.248147 0.749985 0.999055 Be\n0.638878 0.250018 0.856461 H\n0.361122 0.750018 0.643539 H\n0.817181 0.033989 0.570039 H\n0.817155 0.466023 0.569989 H\n0.182844 0.533976 0.430011 H\n0.817181 0.466011 0.070039 H\n0.638878 0.249982 0.356461 H\n0.361122 0.749982 0.143539 H\n0.182818 0.533989 0.929961 H\n0.817155 0.033977 0.069989 H\n0.182818 0.966011 0.429961 H\n0.182845 0.966023 0.930011 H\n",
"nsites": 20,
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"formula_full": "Rb4 Be4 H12",
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"spacegroup": 11
},
{
"id": "jvasp-52863",
"created_at": "2022-09-04T14:36:59.815030Z",
"updated_at": "2022-09-04T14:36:59.815042Z",
"structure_string": "Rb1 Be2 F5\n1.0\n4.465517 -0.012669 0.050294\n-2.219766 4.151221 -0.147191\n-0.070789 -0.397011 6.108462\nRb Be F\n1 2 5\ndirect\n0.040334 0.015869 0.989132 Rb\n0.280538 0.684382 0.399830 Be\n0.612056 0.347345 0.578409 Be\n0.398704 0.691186 0.168706 F\n0.896392 0.409281 0.406382 F\n0.287415 0.015860 0.489128 F\n0.503007 0.622434 0.571860 F\n0.723551 0.340641 0.809550 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.9203264132518116,
"density_atomic": 0.07088370159002455,
"volume": 112.86092318189317,
"volume_molar": 8.495804571311346,
"formula_full": "Rb1 Be2 F5",
"formula_reduced": "RbBe2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.1179268746875,
"spacegroup": 5
},
{
"id": "jvasp-20832",
"created_at": "2022-09-04T14:38:30.389087Z",
"updated_at": "2022-09-04T14:38:30.389116Z",
"structure_string": "Rb8 Be4 F16\n1.0\n5.862494 0.000000 0.000000\n0.000000 7.692749 0.000000\n0.000000 0.000000 10.226558\nRb Be F\n8 4 16\ndirect\n0.247528 0.484306 0.810161 Rb\n0.747528 0.515694 0.189839 Rb\n0.747528 0.015694 0.310161 Rb\n0.247528 0.984306 0.689839 Rb\n0.247518 0.161649 0.094552 Rb\n0.747518 0.838351 0.905448 Rb\n0.747518 0.338351 0.594552 Rb\n0.247518 0.661649 0.405448 Rb\n0.247551 0.238945 0.418485 Be\n0.747550 0.261055 0.918486 Be\n0.247551 0.738945 0.081515 Be\n0.747550 0.761055 0.581515 Be\n0.747495 0.693037 0.435903 F\n0.247495 0.306963 0.564097 F\n0.247596 0.535481 0.089388 F\n0.747596 0.464519 0.910613 F\n0.747596 0.964519 0.589388 F\n0.247596 0.035481 0.410613 F\n0.966185 0.187233 0.849166 F\n0.528925 0.187277 0.849117 F\n0.466185 0.812767 0.150834 F\n0.466185 0.312767 0.349166 F\n0.028926 0.312723 0.349117 F\n0.528925 0.687277 0.650883 F\n0.747495 0.193037 0.064097 F\n0.028926 0.812723 0.150883 F\n0.966185 0.687233 0.650834 F\n0.247495 0.806963 0.935903 F\n",
"nsites": 28,
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"elements": [
"Rb",
"Be",
"F"
],
"chemical_system": "Be-F-Rb",
"density": 3.6860070512922256,
"density_atomic": 0.06071060654793989,
"volume": 461.20441866924705,
"volume_molar": 9.91942117271492,
"formula_full": "Rb8 Be4 F16",
"formula_reduced": "Rb2BeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-38332",
"created_at": "2022-09-04T14:35:48.952548Z",
"updated_at": "2022-09-04T14:35:48.952581Z",
"structure_string": "Rb1 Ba1 O3\n1.0\n4.983366 -0.000000 -0.000000\n-0.000000 4.983366 -0.000000\n-0.000000 0.000000 4.983366\nRb Ba O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Ba",
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],
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"density": 3.6334415369788706,
"density_atomic": 0.040401887025290795,
"volume": 123.75659574687928,
"volume_molar": 14.905592791322487,
"formula_full": "Rb1 Ba1 O3",
"formula_reduced": "RbBaO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-12792",
"created_at": "2022-09-04T14:37:50.327131Z",
"updated_at": "2022-09-04T14:37:50.327152Z",
"structure_string": "Rb4 B4 Se14\n1.0\n6.894025 0.000000 2.359365\n3.098620 7.807598 2.197680\n-0.046525 0.034349 11.387742\nRb B Se\n4 4 14\ndirect\n0.662982 0.191674 0.020034 Rb\n0.337018 0.808327 0.979965 Rb\n0.125309 0.691674 0.520034 Rb\n0.874691 0.308327 0.479965 Rb\n0.613166 0.883734 0.348608 B\n0.845506 0.616267 0.151391 B\n0.386834 0.116267 0.651391 B\n0.154493 0.383734 0.848608 B\n0.421658 0.263391 0.479206 Se\n0.545914 0.750000 0.250000 Se\n0.454086 0.250000 0.750000 Se\n0.903682 0.898008 0.267532 Se\n0.069222 0.601993 0.232467 Se\n0.096318 0.101993 0.732467 Se\n0.930778 0.398008 0.767532 Se\n0.386644 0.123074 0.332937 Se\n0.613356 0.876926 0.667063 Se\n0.157346 0.623074 0.832936 Se\n0.578342 0.736610 0.520793 Se\n0.835745 0.763391 0.979206 Se\n0.164254 0.236610 0.020793 Se\n0.842654 0.376926 0.167063 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"B",
"Se"
],
"chemical_system": "B-Rb-Se",
"density": 4.034159046900981,
"density_atomic": 0.03585737851341139,
"volume": 613.5417844829775,
"volume_molar": 16.79470449226398,
"formula_full": "Rb4 B4 Se14",
"formula_reduced": "Rb2B2Se7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.802183521212121,
"spacegroup": 15
},
{
"id": "jvasp-97977",
"created_at": "2022-09-04T14:36:09.844869Z",
"updated_at": "2022-09-04T14:36:09.844888Z",
"structure_string": "Rb4 B4 Se12\n1.0\n6.208857 0.011997 0.000000\n-1.960142 6.957668 0.000000\n0.000000 0.000000 12.397664\nRb B Se\n4 4 12\ndirect\n0.208298 0.256254 0.424539 Rb\n0.791703 0.743747 0.575460 Rb\n0.708298 0.256254 0.075460 Rb\n0.291703 0.743747 0.924539 Rb\n0.674980 0.697180 0.229176 B\n0.174980 0.697179 0.270824 B\n0.325021 0.302821 0.770824 B\n0.825021 0.302821 0.729176 B\n0.322172 0.055026 0.681481 Se\n0.822172 0.055026 0.818519 Se\n0.677829 0.944975 0.318519 Se\n0.333784 0.794722 0.413772 Se\n0.666217 0.205279 0.586228 Se\n0.833785 0.794722 0.086228 Se\n0.356884 0.532396 0.191490 Se\n0.143116 0.467604 0.691490 Se\n0.643117 0.467605 0.808510 Se\n0.856885 0.532396 0.308510 Se\n0.177829 0.944975 0.181481 Se\n0.166216 0.205278 0.913772 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"B",
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],
"chemical_system": "B-Rb-Se",
"density": 4.129607818123257,
"density_atomic": 0.03732316176689458,
"volume": 535.8602822802617,
"volume_molar": 16.135130237925345,
"formula_full": "Rb4 B4 Se12",
"formula_reduced": "RbBSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5243345366666667,
"spacegroup": 14
},
{
"id": "jvasp-12875",
"created_at": "2022-09-04T14:38:16.021822Z",
"updated_at": "2022-09-04T14:38:16.021846Z",
"structure_string": "Rb4 B4 S12\n1.0\n5.799129 -0.018156 0.000000\n-2.031175 6.729397 0.000000\n0.000000 0.000000 11.837633\nRb B S\n4 4 12\ndirect\n0.207315 0.258816 0.421094 Rb\n0.792684 0.741184 0.578906 Rb\n0.707315 0.258816 0.078906 Rb\n0.292684 0.741184 0.921094 Rb\n0.666377 0.703319 0.230466 B\n0.166377 0.703319 0.269534 B\n0.333623 0.296681 0.769534 B\n0.833623 0.296681 0.730466 B\n0.335813 0.063552 0.678669 S\n0.835813 0.063552 0.821330 S\n0.664186 0.936448 0.321330 S\n0.337148 0.805031 0.405225 S\n0.662851 0.194969 0.594774 S\n0.837148 0.805031 0.094774 S\n0.346617 0.547194 0.193549 S\n0.153383 0.452806 0.693549 S\n0.653383 0.452806 0.806451 S\n0.846617 0.547194 0.306451 S\n0.164186 0.936448 0.178669 S\n0.162851 0.194969 0.905225 S\n",
"nsites": 20,
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"elements": [
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],
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"density": 2.77004942065872,
"density_atomic": 0.04333480070827323,
"volume": 461.52283322216164,
"volume_molar": 13.89677732808931,
"formula_full": "Rb4 B4 S12",
"formula_reduced": "RbBS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8024185166666664,
"spacegroup": 14
},
{
"id": "jvasp-49219",
"created_at": "2022-09-04T14:38:04.274619Z",
"updated_at": "2022-09-04T14:38:04.274646Z",
"structure_string": "Rb6 B6 S12\n1.0\n9.005831 -0.071978 -3.510721\n-5.114921 7.412674 -3.510721\n-0.038152 -0.071977 9.665851\nRb B S\n6 6 12\ndirect\n0.697354 0.802645 0.250000 Rb\n0.802645 0.249999 0.697354 Rb\n0.302645 0.197354 0.750000 Rb\n0.750000 0.302645 0.197354 Rb\n0.197354 0.749999 0.302645 Rb\n0.250000 0.697354 0.802645 Rb\n0.862837 0.749999 0.637162 B\n0.750000 0.637162 0.862837 B\n0.637163 0.862836 0.750000 B\n0.137163 0.250000 0.362837 B\n0.362837 0.137163 0.250000 B\n0.250000 0.362837 0.137163 B\n0.250000 0.133183 0.366817 S\n0.973909 0.749999 0.526090 S\n0.750000 0.526090 0.973909 S\n0.526090 0.973909 0.750000 S\n0.026090 0.250000 0.473909 S\n0.250000 0.473909 0.026090 S\n0.473909 0.026090 0.250000 S\n0.750000 0.866816 0.633182 S\n0.866817 0.633182 0.750000 S\n0.366817 0.250000 0.133183 S\n0.133183 0.366817 0.250000 S\n0.633183 0.749999 0.866817 S\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "B-Rb-S",
"density": 2.5083948477307487,
"density_atomic": 0.037668524070783194,
"volume": 637.136723352936,
"volume_molar": 15.98719596415233,
"formula_full": "Rb6 B6 S12",
"formula_reduced": "RbBS2",
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"spacegroup": 167
},
{
"id": "jvasp-59071",
"created_at": "2022-09-04T14:37:01.710984Z",
"updated_at": "2022-09-04T14:37:01.711004Z",
"structure_string": "Rb12 B4 S12\n1.0\n0.000000 10.113782 -0.034226\n6.372116 0.000000 0.000000\n0.000000 -3.068053 -12.696385\nRb B S\n12 4 12\ndirect\n0.400100 0.061030 0.299490 Rb\n0.599900 0.561030 0.200510 Rb\n0.599900 0.938971 0.700510 Rb\n0.400100 0.438971 0.799490 Rb\n0.035145 0.221779 0.358920 Rb\n0.964855 0.721779 0.141080 Rb\n0.964855 0.778222 0.641080 Rb\n0.035146 0.278221 0.858919 Rb\n0.260020 0.848744 0.992203 Rb\n0.739980 0.348744 0.507797 Rb\n0.739980 0.151257 0.007797 Rb\n0.260020 0.651257 0.492203 Rb\n0.233537 0.120471 0.627267 B\n0.766463 0.620472 0.872732 B\n0.766463 0.879529 0.372733 B\n0.233537 0.379529 0.127268 B\n0.341236 0.344035 0.033213 S\n0.658764 0.844035 0.466787 S\n0.658764 0.655965 0.966787 S\n0.341236 0.155965 0.533213 S\n0.082688 0.214439 0.118368 S\n0.917312 0.714439 0.381632 S\n0.917312 0.785562 0.881632 S\n0.082688 0.285562 0.618368 S\n0.282824 0.573632 0.234166 S\n0.717176 0.073632 0.265834 S\n0.717177 0.426369 0.765834 S\n0.282824 0.926369 0.734166 S\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.03419209279093522,
"volume": 818.902784664388,
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"formula_full": "Rb12 B4 S12",
"formula_reduced": "Rb3BS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.031447511904762,
"spacegroup": 14
},
{
"id": "jvasp-12822",
"created_at": "2022-09-04T14:38:18.336588Z",
"updated_at": "2022-09-04T14:38:18.336604Z",
"structure_string": "Rb12 B4 S12\n1.0\n6.371607 0.000000 0.000000\n0.000000 9.834694 -2.377624\n0.000000 0.040689 13.062149\nRb B S\n12 4 12\ndirect\n0.061073 0.599850 0.700453 Rb\n0.561074 0.400149 0.799548 Rb\n0.938927 0.400149 0.299548 Rb\n0.438927 0.599850 0.200452 Rb\n0.221693 0.964981 0.641081 Rb\n0.721693 0.035019 0.858920 Rb\n0.778308 0.035019 0.358920 Rb\n0.278307 0.964981 0.141081 Rb\n0.848898 0.740135 0.007804 Rb\n0.348898 0.259864 0.492196 Rb\n0.151102 0.259864 0.992196 Rb\n0.651102 0.740135 0.507804 Rb\n0.879577 0.233547 0.627280 B\n0.379577 0.766453 0.872720 B\n0.120424 0.766453 0.372720 B\n0.620424 0.233547 0.127280 B\n0.155788 0.658925 0.466846 S\n0.214385 0.917208 0.881581 S\n0.714385 0.082792 0.618420 S\n0.785615 0.082792 0.118420 S\n0.285615 0.917208 0.381581 S\n0.573680 0.717110 0.765813 S\n0.073680 0.282890 0.734187 S\n0.426320 0.282890 0.234187 S\n0.926320 0.717110 0.265813 S\n0.344212 0.658925 0.966846 S\n0.655789 0.341075 0.033154 S\n0.844212 0.341075 0.533154 S\n",
"nsites": 28,
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],
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"density": 2.946821579196259,
"density_atomic": 0.03418272077018548,
"volume": 819.127306695314,
"volume_molar": 17.617499790281684,
"formula_full": "Rb12 B4 S12",
"formula_reduced": "Rb3BS3",
"formula_anonymous": "AB3C3",
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"spacegroup": 14
},
{
"id": "jvasp-10551",
"created_at": "2022-09-04T14:37:08.500834Z",
"updated_at": "2022-09-04T14:37:08.500857Z",
"structure_string": "Rb6 B2 P4\n1.0\n6.396238 0.009430 1.674200\n-0.202910 6.393025 1.674200\n0.007560 0.007816 9.402135\nRb B P\n6 2 4\ndirect\n0.244515 0.345088 0.983141 Rb\n0.654913 0.755485 0.516858 Rb\n0.755486 0.654912 0.016858 Rb\n0.345087 0.244515 0.483142 Rb\n0.843788 0.156213 0.749999 Rb\n0.156212 0.843787 0.250000 Rb\n0.784104 0.215896 0.250000 B\n0.215896 0.784104 0.750000 B\n0.903610 0.342738 0.354690 P\n0.657262 0.096390 0.145309 P\n0.342738 0.903610 0.854690 P\n0.096390 0.657262 0.645309 P\n",
"nsites": 12,
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"elements": [
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"B",
"P"
],
"chemical_system": "B-P-Rb",
"density": 2.8444592027441655,
"density_atomic": 0.03122426829220214,
"volume": 384.3164517964652,
"volume_molar": 19.286731409183904,
"formula_full": "Rb6 B2 P4",
"formula_reduced": "Rb3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3241022638888889,
"spacegroup": 15
},
{
"id": "jvasp-115495",
"created_at": "2022-09-04T14:38:46.828324Z",
"updated_at": "2022-09-04T14:38:46.828335Z",
"structure_string": "Rb1 B1 O2\n1.0\n1.401160 0.808960 6.063792\n-1.401160 0.808960 6.063792\n0.000000 -1.617920 6.063792\nRb B O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 B\n0.785517 0.785517 0.785517 O\n0.214482 0.214482 0.214482 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"B",
"O"
],
"chemical_system": "B-O-Rb",
"density": 5.165229213911565,
"density_atomic": 0.09699507129721505,
"volume": 41.23920882271519,
"volume_molar": 6.208708009035619,
"formula_full": "Rb1 B1 O2",
"formula_reduced": "RbBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8499073958333327,
"spacegroup": 166
}
]
}