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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3887",
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"results": [
{
"id": "jvasp-110379",
"created_at": "2022-09-04T14:38:38.296758Z",
"updated_at": "2022-09-04T14:38:38.296780Z",
"structure_string": "Rb2 In1 Bi1 Cl6\n1.0\n6.882802 0.000000 3.973787\n2.294267 6.489167 3.973787\n0.000000 0.000000 7.947574\nRb In Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.758286 0.241714 0.241714 Cl\n0.241714 0.241714 0.758286 Cl\n0.241714 0.758286 0.758286 Cl\n0.241714 0.758286 0.241714 Cl\n0.758286 0.241714 0.758286 Cl\n0.758286 0.758286 0.241714 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 354.9676762483793,
"volume_molar": 21.376653116178485,
"formula_full": "Rb2 In1 Bi1 Cl6",
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{
"id": "jvasp-42744",
"created_at": "2022-09-04T14:36:04.547952Z",
"updated_at": "2022-09-04T14:36:04.547971Z",
"structure_string": "Li4 Mn4 B4 O12\n1.0\n5.197320 0.006479 0.015906\n2.585275 4.508717 -0.015906\n-0.183562 0.316396 10.342163\nLi Mn B O\n4 4 4 12\ndirect\n0.321393 0.652082 0.333174 Li\n0.347919 0.678609 0.833174 Li\n0.652499 0.337241 0.583298 Li\n0.662760 0.347502 0.083298 Li\n0.331098 0.000633 0.115810 Mn\n0.676209 0.007046 0.865644 Mn\n0.992955 0.323792 0.365644 Mn\n-0.000632 0.668903 0.615810 Mn\n0.657159 0.998316 0.374203 B\n0.997370 0.665504 0.124004 B\n0.001685 0.342842 0.874203 B\n0.334496 0.002631 0.624004 B\n0.751252 0.933017 0.084008 O\n0.066984 0.248749 0.584008 O\n0.255564 0.068629 0.902274 O\n0.031030 0.583908 0.834970 O\n0.581278 0.034231 0.652769 O\n0.272992 0.641396 0.138826 O\n0.358605 0.727009 0.638826 O\n0.628687 0.275131 0.389116 O\n0.724870 0.371315 0.889116 O\n0.416094 0.968971 0.334970 O\n0.965770 0.418723 0.152769 O\n0.931372 0.744437 0.402274 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.3093821743367635,
"density_atomic": 0.09907956796974593,
"volume": 242.22955844264914,
"volume_molar": 6.078085404892831,
"formula_full": "Li4 Mn4 B4 O12",
"formula_reduced": "LiMnBO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 9
},
{
"id": "jvasp-12630",
"created_at": "2022-09-04T14:37:10.919489Z",
"updated_at": "2022-09-04T14:37:10.919508Z",
"structure_string": "Na4 Fe4 O8\n1.0\n5.385458 0.000000 0.000000\n0.000000 5.737595 0.000000\n0.000000 0.000000 7.199606\nNa Fe O\n4 4 8\ndirect\n0.487573 0.924139 0.378242 Na\n0.987573 0.075860 0.621758 Na\n0.987573 0.575860 0.878242 Na\n0.487573 0.424139 0.121758 Na\n-0.000441 0.568671 0.373498 Fe\n0.499559 0.431328 0.626503 Fe\n0.499559 0.931328 0.873498 Fe\n-0.000441 0.068672 0.126503 Fe\n0.918086 0.890340 0.341296 O\n0.418086 0.109659 0.658705 O\n0.418086 0.609659 0.841296 O\n0.918086 0.390340 0.158705 O\n0.349784 0.545694 0.406897 O\n0.849784 0.454305 0.593104 O\n0.849784 0.954304 0.906897 O\n0.349784 0.045695 0.093103 O\n",
"nsites": 16,
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"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.3091705094534363,
"density_atomic": 0.07192149722548859,
"volume": 222.46477919997594,
"volume_molar": 8.373213840528596,
"formula_full": "Na4 Fe4 O8",
"formula_reduced": "NaFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.506452875,
"spacegroup": 33
},
{
"id": "jvasp-8641",
"created_at": "2022-09-04T14:36:46.458370Z",
"updated_at": "2022-09-04T14:36:46.458394Z",
"structure_string": "Mn1 H2 O2\n1.0\n1.665332 -2.884440 -0.000000\n1.665332 2.884440 0.000000\n-0.000000 0.000000 4.646198\nMn H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.442811 H\n0.333332 0.666666 0.557190 H\n0.333332 0.666666 0.767836 O\n0.666666 0.333332 0.232165 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.309164132234757,
"density_atomic": 0.11201597370484005,
"volume": 44.636490980964055,
"volume_molar": 5.37614463439672,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-5227",
"created_at": "2022-09-04T14:37:15.338443Z",
"updated_at": "2022-09-04T14:37:15.338458Z",
"structure_string": "Fe2 Cl6\n1.0\n5.203345 0.014116 3.935410\n1.965674 4.817790 3.935412\n0.020941 0.014111 6.523941\nFe Cl\n2 6\ndirect\n0.666535 0.666537 0.666537 Fe\n0.333463 0.333463 0.333463 Fe\n0.567726 0.924546 0.279211 Cl\n0.924544 0.279211 0.567728 Cl\n0.720788 0.432273 0.075455 Cl\n0.075454 0.720789 0.432272 Cl\n0.432272 0.075455 0.720789 Cl\n0.279210 0.567728 0.924545 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 3.309132825069626,
"density_atomic": 0.049143211444828624,
"volume": 162.78952402167127,
"volume_molar": 12.254267848898822,
"formula_full": "Fe2 Cl6",
"formula_reduced": "FeCl3",
"formula_anonymous": "AB3",
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"spacegroup": 148
},
{
"id": "jvasp-18346",
"created_at": "2022-09-04T14:38:10.981630Z",
"updated_at": "2022-09-04T14:38:10.981656Z",
"structure_string": "Fe2 Cl6\n1.0\n5.203345 0.014116 3.935410\n1.965674 4.817790 3.935412\n0.020941 0.014111 6.523941\nFe Cl\n2 6\ndirect\n0.666535 0.666537 0.666537 Fe\n0.333463 0.333463 0.333463 Fe\n0.567726 0.924546 0.279211 Cl\n0.924544 0.279211 0.567728 Cl\n0.720788 0.432273 0.075455 Cl\n0.075454 0.720789 0.432272 Cl\n0.432272 0.075455 0.720790 Cl\n0.279210 0.567728 0.924546 Cl\n",
"nsites": 8,
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"elements": [
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"Cl"
],
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"density": 3.309132825069626,
"density_atomic": 0.049143211444828624,
"volume": 162.78952402167127,
"volume_molar": 12.254267848898822,
"formula_full": "Fe2 Cl6",
"formula_reduced": "FeCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7597569256250001,
"spacegroup": 148
},
{
"id": "jvasp-100856",
"created_at": "2022-09-04T14:36:43.031772Z",
"updated_at": "2022-09-04T14:36:43.031788Z",
"structure_string": "Mo2 S6\n1.0\n4.449590 0.000000 0.000000\n-0.000000 5.857944 1.647963\n-0.000000 0.114134 7.430008\nMo S\n2 6\ndirect\n0.250000 0.709026 0.294319 Mo\n0.750000 0.290973 0.705682 Mo\n0.750000 0.549327 0.369399 S\n0.250000 0.450671 0.630601 S\n0.250000 0.054337 0.302725 S\n0.750000 0.945662 0.697275 S\n0.250000 0.710696 0.006965 S\n0.750000 0.289302 0.993035 S\n",
"nsites": 8,
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"elements": [
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"S"
],
"chemical_system": "Mo-S",
"density": 3.3091155136617445,
"density_atomic": 0.04148741129155522,
"volume": 192.8295777188779,
"volume_molar": 14.515585746430531,
"formula_full": "Mo2 S6",
"formula_reduced": "MoS3",
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"spacegroup": 11
},
{
"id": "jvasp-69942",
"created_at": "2022-09-04T14:36:10.667654Z",
"updated_at": "2022-09-04T14:36:10.667692Z",
"structure_string": "Na1 Be2 Ge1\n1.0\n-2.030456 2.030456 3.458625\n2.030456 -2.030456 3.458625\n2.030456 2.030456 -3.458625\nNa Be Ge\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Na\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.250000 0.750001 0.500001 Ge\n",
"nsites": 4,
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"elements": [
"Na",
"Be",
"Ge"
],
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"density": 3.3089004292667212,
"density_atomic": 0.07013089124937753,
"volume": 57.036206566610595,
"volume_molar": 8.587001609014132,
"formula_full": "Na1 Be2 Ge1",
"formula_reduced": "NaBe2Ge",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-60812",
"created_at": "2022-09-04T14:36:19.171332Z",
"updated_at": "2022-09-04T14:36:19.171357Z",
"structure_string": "Li6 Al6 Ge6 O24\n1.0\n5.053547 -6.929536 0.002499\n5.053547 6.929537 0.002500\n-4.452012 -0.000001 7.330512\nLi Al Ge O\n6 6 6 24\ndirect\n0.237752 0.073147 0.468745 Li\n0.762249 0.926853 0.531255 Li\n0.926853 0.531255 0.762248 Li\n0.531255 0.762249 0.926853 Li\n0.073147 0.468746 0.237752 Li\n0.468746 0.237752 0.073147 Li\n0.791457 0.564032 0.385413 Al\n0.385413 0.791457 0.564032 Al\n0.564032 0.385413 0.791456 Al\n0.208544 0.435969 0.614587 Al\n0.614587 0.208544 0.435968 Al\n0.435969 0.614587 0.208544 Al\n0.134510 0.893585 0.720368 Ge\n0.720369 0.134510 0.893584 Ge\n0.279632 0.865491 0.106416 Ge\n0.865491 0.106416 0.279631 Ge\n0.893585 0.720369 0.134510 Ge\n0.106416 0.279632 0.865490 Ge\n0.653271 0.335213 0.314327 O\n0.044887 0.326790 0.377399 O\n0.673211 0.622602 0.955113 O\n0.622602 0.955113 0.673210 O\n0.955113 0.673211 0.622601 O\n0.664788 0.685673 0.346729 O\n0.685673 0.346729 0.664787 O\n0.346729 0.664788 0.685673 O\n0.335213 0.314327 0.653271 O\n0.314327 0.653271 0.335212 O\n0.022955 0.042576 0.717498 O\n0.260097 0.923535 0.595391 O\n0.717499 0.022955 0.042576 O\n0.977046 0.957425 0.282502 O\n0.957425 0.282502 0.977045 O\n0.282502 0.977046 0.957424 O\n0.739904 0.076466 0.404609 O\n0.076466 0.404610 0.739904 O\n0.404610 0.739904 0.076466 O\n0.377399 0.044887 0.326790 O\n0.923535 0.595391 0.260096 O\n0.595391 0.260097 0.923534 O\n0.042576 0.717499 0.022955 O\n0.326790 0.377399 0.044887 O\n",
"nsites": 42,
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"elements": [
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"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-Li-O",
"density": 3.308892450526412,
"density_atomic": 0.08178130826495658,
"volume": 513.5647850475518,
"volume_molar": 7.363712916513097,
"formula_full": "Li6 Al6 Ge6 O24",
"formula_reduced": "LiAlGeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 148
},
{
"id": "jvasp-118054",
"created_at": "2022-09-04T14:38:52.188285Z",
"updated_at": "2022-09-04T14:38:52.188306Z",
"structure_string": "Sb1 H1 Cl2\n1.0\n4.160736 -0.000000 -0.000000\n-0.000000 4.160736 -0.000000\n0.000000 -0.000000 5.614333\nSb H Cl\n1 1 2\ndirect\n0.500001 0.500001 0.522212 Sb\n0.000000 0.000000 0.022913 H\n0.000000 0.000000 0.513489 Cl\n0.500001 0.500001 -0.048615 Cl\n",
"nsites": 4,
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"elements": [
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"H",
"Cl"
],
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"density": 3.3088859323531072,
"density_atomic": 0.04115489538819822,
"volume": 97.19378368647389,
"volume_molar": 14.632866158923438,
"formula_full": "Sb1 H1 Cl2",
"formula_reduced": "SbHCl2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-109445",
"created_at": "2022-09-04T14:38:20.402037Z",
"updated_at": "2022-09-04T14:38:20.402064Z",
"structure_string": "K2 Rb1 Ru1 F6\n1.0\n5.589075 -0.000000 3.226854\n1.863025 5.269431 3.226854\n-0.000000 -0.000000 6.453708\nK Rb Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Ru\n0.780326 0.219675 0.219674 F\n0.219676 0.219675 0.780324 F\n0.219676 0.780325 0.780324 F\n0.219676 0.780325 0.219674 F\n0.780326 0.219675 0.780324 F\n0.780326 0.780325 0.219674 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.308719059417667,
"density_atomic": 0.0526122686125606,
"volume": 190.06973589450217,
"volume_molar": 11.446267037727168,
"formula_full": "K2 Rb1 Ru1 F6",
"formula_reduced": "K2RbRuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
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},
{
"id": "jvasp-48882",
"created_at": "2022-09-04T14:36:14.329607Z",
"updated_at": "2022-09-04T14:36:14.329632Z",
"structure_string": "Li4 Co2 Si2 O8\n1.0\n0.000000 5.345414 -0.009440\n4.963145 0.000000 0.000000\n0.000000 -0.050294 -6.239748\nLi Co Si O\n4 2 2 8\ndirect\n0.339934 0.999260 0.734955 Li\n0.162603 0.497374 0.499765 Li\n0.837397 0.997375 0.500235 Li\n0.660066 0.499259 0.265045 Li\n0.174046 0.499816 0.994414 Co\n0.825954 0.999817 0.005587 Co\n0.328527 0.993532 0.258828 Si\n0.671473 0.493532 0.741172 Si\n0.185659 0.096512 0.029374 O\n0.183495 0.106297 0.467761 O\n0.323274 0.659607 0.249825 O\n0.621623 0.101570 0.250536 O\n0.378377 0.601570 0.749464 O\n0.676726 0.159607 0.750176 O\n0.816505 0.606297 0.532239 O\n0.814341 0.596512 0.970627 O\n",
"nsites": 16,
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"elements": [
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"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.3081387443585895,
"density_atomic": 0.0966514647299257,
"volume": 165.5432749489,
"volume_molar": 6.230780647585361,
"formula_full": "Li4 Co2 Si2 O8",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2634029374999995,
"spacegroup": 4
}
]
}