HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4179",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4177",
"results": [
{
"id": "jvasp-93459",
"created_at": "2022-09-04T14:36:02.600576Z",
"updated_at": "2022-09-04T14:36:02.600600Z",
"structure_string": "Mn2 O4\n1.0\n2.848228 0.000000 -0.000001\n-0.000001 5.867008 -0.000005\n-0.000001 -0.000003 3.779488\nMn O\n2 4\ndirect\n1.000000 0.960415 1.000002 Mn\n0.500001 0.289586 0.500002 Mn\n0.000000 0.041034 0.500000 O\n0.500001 0.208967 1.000001 O\n1.000001 0.477118 0.500001 O\n0.500001 0.772883 1.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.571498332612588,
"density_atomic": 0.09500070925950495,
"volume": 63.15742321049768,
"volume_molar": 6.339048210208469,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.126221413793104,
"spacegroup": 59
},
{
"id": "jvasp-31979",
"created_at": "2022-09-04T14:38:06.903207Z",
"updated_at": "2022-09-04T14:38:06.903229Z",
"structure_string": "Si1 H2 O1\n1.0\n3.096698 -0.150705 0.445909\n-1.678863 2.907878 0.000000\n0.712892 0.411589 4.951698\nSi H O\n1 2 1\ndirect\n0.463182 0.731591 0.256687 Si\n0.467272 0.733635 0.712530 H\n0.808090 0.404044 0.208510 H\n0.203591 0.601796 0.612274 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 1.8181762033576363,
"density_atomic": 0.09500327783509016,
"volume": 42.10381042792368,
"volume_molar": 6.338876823232807,
"formula_full": "Si1 H2 O1",
"formula_reduced": "SiH2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.566868025,
"spacegroup": 8
},
{
"id": "jvasp-34790",
"created_at": "2022-09-04T14:37:13.926930Z",
"updated_at": "2022-09-04T14:37:13.926954Z",
"structure_string": "Sr1 H12 Cl2 O6\n1.0\n3.967803 -6.872437 -0.000000\n3.967803 6.872437 0.000000\n0.000000 -0.000000 4.053107\nSr H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.551116 0.900850 0.898177 H\n0.099149 0.650266 0.898177 H\n0.448883 0.349733 0.101824 H\n0.650266 0.099149 0.101824 H\n0.900850 0.551116 0.101824 H\n0.349733 0.448883 0.898177 H\n0.114219 0.357340 0.482199 H\n0.243120 0.885780 0.482199 H\n0.756879 0.642659 0.517802 H\n0.357340 0.114219 0.517802 H\n0.885780 0.243120 0.517802 H\n0.642659 0.756879 0.482199 H\n0.666667 0.333332 0.421264 Cl\n0.333332 0.666667 0.578737 Cl\n-0.000000 0.674062 0.000000 O\n0.224595 -0.000000 0.500000 O\n-0.000000 0.224595 0.500000 O\n0.775405 0.775405 0.500000 O\n0.674062 -0.000000 0.000000 O\n0.325937 0.325937 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.002899273457158,
"density_atomic": 0.09500366535993014,
"volume": 221.04410309264978,
"volume_molar": 6.338850966628039,
"formula_full": "Sr1 H12 Cl2 O6",
"formula_reduced": "SrH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.654768830714286,
"spacegroup": 150
},
{
"id": "jvasp-48423",
"created_at": "2022-09-04T14:35:43.868775Z",
"updated_at": "2022-09-04T14:35:43.868802Z",
"structure_string": "Li3 Co5 O1 F11\n1.0\n-5.081110 0.048005 0.667814\n2.361236 4.799615 -1.701393\n1.291963 0.000293 -8.765507\nLi Co O F\n3 5 1 11\ndirect\n0.790237 0.625646 0.942695 Li\n0.290629 0.146686 0.418440 Li\n0.212766 0.360322 0.071063 Li\n0.483189 0.125073 0.840240 Co\n0.978435 0.643990 0.342819 Co\n0.011540 0.390535 0.659890 Co\n0.515352 0.866699 0.157389 Co\n0.748043 0.867234 0.575371 Co\n0.964760 0.718710 0.531947 O\n0.443361 0.879077 0.373236 F\n0.064022 0.636442 0.132640 F\n0.036500 0.274578 0.464516 F\n0.517806 0.758619 0.960326 F\n0.024042 0.970152 0.786327 F\n0.930573 0.375541 0.877440 F\n0.561756 0.106108 0.625120 F\n0.527812 0.476344 0.279221 F\n0.460670 0.512303 0.713381 F\n0.471661 0.231034 0.034941 F\n0.966838 0.034882 0.213005 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.263273979606159,
"density_atomic": 0.09500618915203002,
"volume": 210.51260111060517,
"volume_molar": 6.338682578208984,
"formula_full": "Li3 Co5 O1 F11",
"formula_reduced": "Li3Co5OF11",
"formula_anonymous": "AB3C5D11",
"energy_above_hull": 1.1161195553749998,
"spacegroup": 1
},
{
"id": "jvasp-119527",
"created_at": "2022-09-04T14:38:35.003812Z",
"updated_at": "2022-09-04T14:38:35.003842Z",
"structure_string": "La2 Mg2 Fe2 Ni2 O12\n1.0\n5.237982 -0.020401 0.001268\n0.037470 7.474937 -0.023814\n-0.001207 0.017385 5.376351\nLa Mg Fe Ni O\n2 2 2 2 12\ndirect\n0.994233 0.249871 0.032073 La\n0.494240 0.749839 0.467919 La\n0.528906 0.248462 0.556742 Mg\n0.028925 0.748552 0.943276 Mg\n0.502194 0.500972 0.997047 Fe\n0.002221 0.000974 0.502947 Fe\n0.001931 0.498865 0.498724 Ni\n0.501950 0.998857 0.001289 Ni\n0.766738 0.054906 0.756307 O\n0.266606 0.554956 0.743803 O\n0.431300 0.254693 0.954866 O\n0.931312 0.754703 0.545127 O\n0.698206 0.054513 0.301999 O\n0.128101 0.244513 0.486268 O\n0.687589 0.443256 0.292887 O\n0.187590 0.943275 0.207065 O\n0.260883 0.949910 0.738748 O\n0.628119 0.744494 0.013725 O\n0.198208 0.554531 0.198063 O\n0.760743 0.449863 0.761134 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-La-Mg-Ni-O",
"density": 5.8963420410168395,
"density_atomic": 0.0950074946831571,
"volume": 210.50970838351762,
"volume_molar": 6.338595476160475,
"formula_full": "La2 Mg2 Fe2 Ni2 O12",
"formula_reduced": "LaMgFeNiO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.174443295,
"spacegroup": 7
},
{
"id": "jvasp-71754",
"created_at": "2022-09-04T14:36:22.192129Z",
"updated_at": "2022-09-04T14:36:22.192150Z",
"structure_string": "Mn1 Be1 Cr2\n1.0\n-1.646639 1.646639 3.881774\n1.646639 -1.646639 3.881774\n1.646639 1.646639 -3.881774\nMn Be Cr\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cr\n0.250000 0.750000 0.500000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Mn",
"density": 6.624033036786576,
"density_atomic": 0.09501079643252851,
"volume": 42.10047857919581,
"volume_molar": 6.33837520168205,
"formula_full": "Mn1 Be1 Cr2",
"formula_reduced": "MnBeCr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.934777035344827,
"spacegroup": 119
},
{
"id": "jvasp-43018",
"created_at": "2022-09-04T14:38:12.808871Z",
"updated_at": "2022-09-04T14:38:12.808895Z",
"structure_string": "V4 O6 F2\n1.0\n-0.143821 4.662676 2.907350\n-0.143821 4.662676 -2.907350\n-4.662676 0.143821 -2.907350\nV O F\n4 6 2\ndirect\n0.787445 0.750001 0.537444 V\n0.212557 0.250000 0.462557 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500001 -0.000000 V\n0.056728 0.750000 0.806728 O\n0.000000 0.301767 0.698233 O\n0.500001 0.801768 0.698233 O\n0.500000 0.198233 0.301768 O\n0.000000 0.698233 0.301768 O\n0.943273 0.250001 0.193273 O\n0.543959 0.250000 0.793959 F\n0.456042 0.750001 0.206041 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.440909250395335,
"density_atomic": 0.09501602364319936,
"volume": 126.29448739153676,
"volume_molar": 6.338026502365664,
"formula_full": "V4 O6 F2",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.480113197083334,
"spacegroup": 74
},
{
"id": "jvasp-43659",
"created_at": "2022-09-04T14:36:05.803939Z",
"updated_at": "2022-09-04T14:36:05.803966Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.929530 0.000000 0.000000\n0.000000 6.356285 0.000000\n0.000000 0.000000 9.404382\nLi Mn P O\n4 4 4 16\ndirect\n0.019490 0.250000 0.333045 Li\n0.480510 0.250000 0.833045 Li\n0.980510 0.750001 0.666955 Li\n0.519490 0.750001 0.166955 Li\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\n0.478528 0.750001 0.820329 P\n0.021472 0.750001 0.320329 P\n0.521472 0.250000 0.179671 P\n0.978528 0.250000 0.679671 P\n0.083572 0.750001 0.155323 O\n0.416428 0.750001 0.655323 O\n0.788633 0.750001 0.855285 O\n0.711367 0.750001 0.355285 O\n0.151446 0.548591 0.381040 O\n0.348554 0.548591 0.881040 O\n0.651446 0.451409 0.118960 O\n0.651446 0.048591 0.118960 O\n0.583572 0.250000 0.344677 O\n0.211367 0.250000 0.144715 O\n0.288633 0.250000 0.644715 O\n0.916428 0.250000 0.844677 O\n0.348554 0.951410 0.881040 O\n0.848554 0.048591 0.618960 O\n0.848554 0.451409 0.618960 O\n0.151446 0.951410 0.381040 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.535538750050014,
"density_atomic": 0.09502084630112227,
"volume": 294.67218078933587,
"volume_molar": 6.337704824176959,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5472509630541875,
"spacegroup": 62
},
{
"id": "jvasp-100060",
"created_at": "2022-09-04T14:36:31.848418Z",
"updated_at": "2022-09-04T14:36:31.848433Z",
"structure_string": "Li1 Ni1 O2\n1.0\n3.036066 -0.032880 -4.441668\n-0.155885 2.586668 -4.715086\n-0.053226 0.032880 5.379896\nLi Ni O\n1 1 2\ndirect\n0.771358 0.271358 0.500001 Li\n0.507528 0.007528 0.500000 Ni\n0.384273 0.384273 0.000001 O\n0.629844 0.629842 0.000001 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 3.851284707852083,
"density_atomic": 0.09502086841580822,
"volume": 42.09601602982758,
"volume_molar": 6.337703349170951,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.28668235,
"spacegroup": 44
},
{
"id": "jvasp-47725",
"created_at": "2022-09-04T14:38:33.289472Z",
"updated_at": "2022-09-04T14:38:33.289500Z",
"structure_string": "Li2 Fe2 P4 H2 O16\n1.0\n0.000000 4.757690 0.011371\n7.998810 0.000000 0.000000\n0.000000 -1.858020 -7.194030\nLi Fe P H O\n2 2 4 2 16\ndirect\n0.856562 0.625515 0.396615 Li\n0.143438 0.125515 0.603385 Li\n0.252087 0.499274 0.764451 Fe\n0.747913 -0.000726 0.235549 Fe\n0.879446 0.648576 0.011504 P\n0.120554 0.148576 0.988496 P\n0.377080 0.847442 0.501151 P\n0.622920 0.347442 0.498849 P\n0.717134 0.985804 0.736695 H\n0.282866 0.485804 0.263305 H\n0.607330 0.827859 0.385193 O\n0.499652 0.446619 0.316210 O\n0.378887 0.048154 0.113312 O\n0.209759 0.325514 0.948400 O\n0.500348 0.946619 0.683790 O\n0.392670 0.327859 0.614807 O\n0.106333 0.665080 0.890561 O\n0.893667 0.165080 0.109439 O\n0.263891 0.677961 0.542395 O\n0.124676 0.963327 0.396479 O\n0.000278 0.553620 0.190830 O\n0.736109 0.177961 0.457606 O\n0.790241 0.825514 0.051600 O\n0.875324 0.463327 0.603521 O\n0.999722 0.053620 0.809170 O\n0.621113 0.548154 0.886688 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.0799007069980275,
"density_atomic": 0.09502715881851383,
"volume": 273.60599141615614,
"volume_molar": 6.337283819567092,
"formula_full": "Li2 Fe2 P4 H2 O16",
"formula_reduced": "LiFeP2HO8",
"formula_anonymous": "ABCD2E8",
"energy_above_hull": 2.8732165,
"spacegroup": 4
},
{
"id": "jvasp-43647",
"created_at": "2022-09-04T14:36:08.495203Z",
"updated_at": "2022-09-04T14:36:08.495230Z",
"structure_string": "Li2 Fe1 F4\n1.0\n2.899792 4.341015 0.000000\n-2.899792 4.341015 0.000000\n0.000000 0.000000 2.925865\nLi Fe F\n2 1 4\ndirect\n0.000000 0.500000 0.500001 Li\n0.500000 0.000000 0.500001 Li\n0.000000 0.000000 0.000000 Fe\n0.249212 0.750789 0.500001 F\n0.236157 0.236157 0.000000 F\n0.763844 0.763844 0.000000 F\n0.750789 0.249212 0.500001 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.284941751055235,
"density_atomic": 0.09502888347765931,
"volume": 73.66181463813216,
"volume_molar": 6.337168805540862,
"formula_full": "Li2 Fe1 F4",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3208323757142856,
"spacegroup": 65
},
{
"id": "jvasp-113211",
"created_at": "2022-09-04T14:38:46.328286Z",
"updated_at": "2022-09-04T14:38:46.328303Z",
"structure_string": "Cr4 O4 F4\n1.0\n4.508060 0.000001 -0.000006\n-0.000006 5.530308 -0.135886\n0.000003 0.005901 5.064837\nCr O F\n4 4 4\ndirect\n0.979595 0.149516 0.273761 Cr\n0.479594 0.350485 0.726238 Cr\n0.520404 0.649515 0.273760 Cr\n0.020404 0.850485 0.726239 Cr\n0.771379 0.888071 0.426801 O\n0.728620 0.388070 0.426802 O\n0.271379 0.611930 0.573197 O\n0.228620 0.111930 0.573198 O\n0.243621 0.887330 0.080036 F\n0.256378 0.387330 0.080037 F\n0.743621 0.612670 0.919963 F\n0.756378 0.112670 0.919963 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.575947078532703,
"density_atomic": 0.09503078864068427,
"volume": 126.27486493216998,
"volume_molar": 6.3370417589292956,
"formula_full": "Cr4 O4 F4",
"formula_reduced": "CrOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2990403941666668,
"spacegroup": 14
}
]
}