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=nelements&page=1293",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1291",
"results": [
{
"id": "jvasp-118450",
"created_at": "2022-09-04T14:38:51.052168Z",
"updated_at": "2022-09-04T14:38:51.052183Z",
"structure_string": "La2 H2 O2\n1.0\n4.107251 0.000000 0.000000\n0.000000 4.107251 -0.000000\n0.000000 0.000000 5.731434\nLa H O\n2 2 2\ndirect\n0.500000 0.000000 0.715422 La\n0.000000 0.500000 0.284577 La\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"H",
"O"
],
"chemical_system": "H-La-O",
"density": 5.355439386263477,
"density_atomic": 0.062056241229066424,
"volume": 96.68648763066993,
"volume_molar": 9.704327301698221,
"formula_full": "La2 H2 O2",
"formula_reduced": "LaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2326861666666669,
"spacegroup": 129
},
{
"id": "jvasp-119015",
"created_at": "2022-09-04T14:38:51.058230Z",
"updated_at": "2022-09-04T14:38:51.058269Z",
"structure_string": "Mg16 Sc1 Al12\n1.0\n8.622988 0.010100 2.992685\n-4.286683 7.482003 2.992685\n-0.008907 -0.015390 8.962840\nMg Sc Al\n16 1 12\ndirect\n0.399664 0.399663 0.281656 Mg\n0.314390 0.605430 0.996959 Mg\n0.000553 0.318962 0.393649 Mg\n0.996286 0.335456 0.007752 Mg\n0.290230 0.684243 0.315605 Mg\n0.599645 0.001867 0.685202 Mg\n0.001867 0.599644 0.685202 Mg\n0.684244 0.290230 0.315605 Mg\n0.398856 0.714410 0.604053 Mg\n0.318962 0.000553 0.393649 Mg\n0.714410 0.398856 0.604053 Mg\n0.605430 0.314390 0.996959 Mg\n-0.000529 -0.000529 0.002526 Mg\n0.656774 0.656774 0.348896 Mg\n0.004889 0.004889 0.649809 Mg\n0.335456 0.996286 0.007752 Mg\n0.684839 0.684838 0.720655 Sc\n0.179230 0.364998 0.633617 Al\n0.822224 0.184741 0.811426 Al\n0.634126 0.000604 0.181514 Al\n0.000604 0.634125 0.181514 Al\n0.184741 0.822224 0.811426 Al\n0.184124 0.184124 0.180873 Al\n0.995588 0.810267 0.372900 Al\n0.812375 0.632713 0.997365 Al\n0.372924 0.372924 0.815491 Al\n0.810267 0.995588 0.372900 Al\n0.364998 0.179230 0.633617 Al\n0.632713 0.812374 0.997365 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Al"
],
"chemical_system": "Al-Mg-Sc",
"density": 2.1711474674012154,
"density_atomic": 0.050048379052173984,
"volume": 579.4393454734736,
"volume_molar": 12.032638966632852,
"formula_full": "Mg16 Sc1 Al12",
"formula_reduced": "Mg16ScAl12",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.4068152982758624,
"spacegroup": 8
},
{
"id": "jvasp-118999",
"created_at": "2022-09-04T14:38:51.069901Z",
"updated_at": "2022-09-04T14:38:51.069927Z",
"structure_string": "Na4 Fe8 O16\n1.0\n4.847330 0.000000 0.000000\n-0.000000 4.973577 2.563534\n-0.000000 -0.147083 12.495762\nNa Fe O\n4 8 16\ndirect\n0.969390 0.500000 0.250000 Na\n0.647220 0.000000 0.750000 Na\n0.352780 0.000000 0.250000 Na\n0.030610 0.500001 0.750000 Na\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500001 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.997100 0.753821 0.496171 Fe\n0.002900 0.753821 0.996171 Fe\n0.997100 0.246180 0.003828 Fe\n0.002900 0.246180 0.503828 Fe\n0.329949 0.661999 0.588021 O\n0.166321 0.093736 0.407692 O\n0.166335 0.590833 0.407686 O\n0.336201 0.841799 0.908187 O\n0.336201 0.158203 0.591812 O\n0.329949 0.338002 0.911978 O\n0.670051 0.338002 0.411978 O\n0.833679 0.093737 0.907692 O\n0.663799 0.841798 0.408187 O\n0.663799 0.158202 0.091813 O\n0.833665 0.590834 0.907686 O\n0.833679 0.906265 0.592307 O\n0.166321 0.906264 0.092307 O\n0.833665 0.409168 0.592313 O\n0.670051 0.661999 0.088021 O\n0.166335 0.409168 0.092313 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 4.354080278913823,
"density_atomic": 0.09238404503155467,
"volume": 303.0826371635527,
"volume_molar": 6.518593938967577,
"formula_full": "Na4 Fe8 O16",
"formula_reduced": "Na(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.345253428571428,
"spacegroup": 59
},
{
"id": "jvasp-118518",
"created_at": "2022-09-04T14:38:51.102334Z",
"updated_at": "2022-09-04T14:38:51.102350Z",
"structure_string": "Sr1 Sn1 H2\n1.0\n3.877418 0.000000 -0.000000\n0.000000 3.877418 0.000000\n0.000000 0.000000 4.753696\nSr Sn H\n1 1 2\ndirect\n0.500000 0.500000 0.563039 Sr\n0.000000 0.000000 -0.007516 Sn\n-0.000000 -0.000000 0.386167 H\n0.500000 0.500000 0.068311 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"H"
],
"chemical_system": "H-Sn-Sr",
"density": 4.840802509265611,
"density_atomic": 0.05596845805106974,
"volume": 71.46882617974049,
"volume_molar": 10.759883280159258,
"formula_full": "Sr1 Sn1 H2",
"formula_reduced": "SrSnH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2298020025,
"spacegroup": 99
},
{
"id": "jvasp-111889",
"created_at": "2022-09-04T14:38:50.997734Z",
"updated_at": "2022-09-04T14:38:50.997762Z",
"structure_string": "Li6 Co8 O16\n1.0\n4.916123 -0.015896 2.802225\n-1.611539 9.346009 -2.833104\n0.031248 0.007894 5.658719\nLi Co O\n6 8 16\ndirect\n0.500280 0.000006 0.999995 Li\n0.999719 0.499993 0.500006 Li\n0.000040 -0.000002 0.499720 Li\n0.499959 0.500001 0.000280 Li\n0.499768 -0.000009 0.500241 Li\n0.000231 0.500009 -0.000240 Li\n0.250004 0.250000 0.750000 Co\n0.250003 0.250000 0.249998 Co\n0.750000 0.250000 0.250001 Co\n0.750001 0.750001 0.250002 Co\n0.250001 0.750001 0.750000 Co\n0.250000 0.750001 0.250002 Co\n0.750002 0.250000 0.750001 Co\n0.750002 0.750000 0.749999 Co\n0.879692 0.144205 0.879685 O\n0.884823 0.644201 0.379687 O\n0.384828 0.144203 0.879705 O\n0.120326 0.855794 0.120299 O\n0.620304 0.355794 0.620317 O\n0.379672 0.644205 0.379703 O\n0.615174 0.855798 0.120316 O\n0.380253 0.140769 0.380264 O\n0.379688 0.644204 0.884843 O\n0.879677 0.144204 0.384840 O\n0.619750 0.859227 0.619731 O\n0.119744 0.359230 0.119737 O\n0.880249 0.640771 0.880272 O\n0.620320 0.355795 0.115162 O\n0.115169 0.355797 0.620297 O\n0.120311 0.855794 0.615158 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.928913202278807,
"density_atomic": 0.1157815633763422,
"volume": 259.10861043123504,
"volume_molar": 5.201295080483006,
"formula_full": "Li6 Co8 O16",
"formula_reduced": "Li3(CoO2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.753098773333333,
"spacegroup": 166
},
{
"id": "jvasp-119076",
"created_at": "2022-09-04T14:38:51.014485Z",
"updated_at": "2022-09-04T14:38:51.014522Z",
"structure_string": "Sm3 As6 Pd9\n1.0\n8.254292 0.009672 2.575735\n7.224219 3.993005 2.575735\n-0.026816 -0.006935 10.078946\nSm As Pd\n3 6 9\ndirect\n0.847119 0.847119 0.698549 Sm\n0.152881 0.152881 0.301453 Sm\n0.000000 0.000000 0.000000 Sm\n0.636642 0.636641 0.545318 As\n0.460336 0.460337 0.789276 As\n0.363358 0.363358 0.454683 As\n0.198658 0.198660 0.869164 As\n0.801342 0.801340 0.130837 As\n0.539663 0.539662 0.210725 As\n0.680220 0.680218 0.034613 Pd\n0.957997 0.957995 0.332426 Pd\n0.042003 0.042005 0.667576 Pd\n0.778729 0.778728 0.389026 Pd\n0.221271 0.221272 0.610976 Pd\n0.378496 0.378495 0.197793 Pd\n0.621504 0.621505 0.802208 Pd\n0.500000 0.500000 0.500001 Pd\n0.319780 0.319782 0.965389 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"As",
"Pd"
],
"chemical_system": "As-Pd-Sm",
"density": 9.300971949474977,
"density_atomic": 0.05425190290939613,
"volume": 331.7855970888442,
"volume_molar": 11.100330932275924,
"formula_full": "Sm3 As6 Pd9",
"formula_reduced": "SmAs2Pd3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.9336132458333333,
"spacegroup": 12
},
{
"id": "jvasp-118282",
"created_at": "2022-09-04T14:38:51.019294Z",
"updated_at": "2022-09-04T14:38:51.019314Z",
"structure_string": "Mn1 Zn1 F1\n1.0\n4.254548 0.000000 0.000000\n-2.127274 3.684546 -0.000000\n-0.000000 0.000000 2.385432\nMn Zn F\n1 1 1\ndirect\n0.333335 0.666668 0.000000 Mn\n0.666668 0.333334 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"F"
],
"chemical_system": "F-Mn-Zn",
"density": 6.1878165930487175,
"density_atomic": 0.08022630738493103,
"volume": 37.39421765488726,
"volume_molar": 7.506441410926939,
"formula_full": "Mn1 Zn1 F1",
"formula_reduced": "MnZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7875176781609194,
"spacegroup": 187
},
{
"id": "jvasp-118476",
"created_at": "2022-09-04T14:38:51.038347Z",
"updated_at": "2022-09-04T14:38:51.038377Z",
"structure_string": "H1 S1 O1\n1.0\n3.528899 0.000000 -0.000000\n-1.764450 3.056116 0.000000\n0.000000 -0.000000 2.753738\nH S O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.000000 S\n0.333334 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
"chemical_system": "H-O-S",
"density": 2.743810945568733,
"density_atomic": 0.10101586192193292,
"volume": 29.69830621569571,
"volume_molar": 5.9615793454834165,
"formula_full": "H1 S1 O1",
"formula_reduced": "HSO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3058511666666663,
"spacegroup": 187
},
{
"id": "jvasp-118243",
"created_at": "2022-09-04T14:38:51.045981Z",
"updated_at": "2022-09-04T14:38:51.046009Z",
"structure_string": "Sn1 I1 F2\n1.0\n4.215591 0.000000 0.000000\n0.000000 4.215591 -0.000000\n0.000000 0.000000 4.932163\nSn I F\n1 1 2\ndirect\n0.500001 0.500001 0.424753 Sn\n0.000000 0.000000 0.118676 I\n0.000000 0.000000 0.624563 F\n0.500001 0.500001 0.842007 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sn",
"I",
"F"
],
"chemical_system": "F-I-Sn",
"density": 5.373017235537336,
"density_atomic": 0.04563579631983043,
"volume": 87.65049199463301,
"volume_molar": 13.19609001187333,
"formula_full": "Sn1 I1 F2",
"formula_reduced": "SnIF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-111940",
"created_at": "2022-09-04T14:38:51.049670Z",
"updated_at": "2022-09-04T14:38:51.049700Z",
"structure_string": "Nb2 Fe2 O8\n1.0\n5.522172 -0.000000 0.000000\n-0.000001 4.838619 2.660898\n0.000000 0.007514 5.716367\nNb Fe O\n2 2 8\ndirect\n0.000014 -0.000000 0.000000 Nb\n0.500011 0.500000 0.000000 Nb\n0.749987 0.500000 0.500000 Fe\n0.249987 -0.000000 0.500000 Fe\n0.250007 0.211401 0.077191 O\n0.750007 0.711396 0.077202 O\n0.250007 0.788598 0.922810 O\n0.750007 0.288604 0.922799 O\n0.499991 0.296649 0.406700 O\n-0.000004 0.796647 0.406701 O\n-0.000004 0.203351 0.593300 O\n0.499991 0.703350 0.593300 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Nb-O",
"density": 4.629234387786204,
"density_atomic": 0.07862195467329137,
"volume": 152.6291231229909,
"volume_molar": 7.65961719601685,
"formula_full": "Nb2 Fe2 O8",
"formula_reduced": "NbFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.090091483333333,
"spacegroup": 119
},
{
"id": "jvasp-117460",
"created_at": "2022-09-04T14:38:51.056347Z",
"updated_at": "2022-09-04T14:38:51.056375Z",
"structure_string": "Ba1 B1 O2\n1.0\n3.646224 -0.000000 0.000000\n0.000000 3.646224 0.000000\n-0.000000 -0.000000 5.039737\nBa B O\n1 1 2\ndirect\n0.500000 0.500000 0.546200 Ba\n0.000000 0.000000 0.088023 B\n0.000000 0.000000 0.344534 O\n0.500000 0.500000 0.031243 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"B",
"O"
],
"chemical_system": "B-Ba-O",
"density": 4.4643370644636615,
"density_atomic": 0.05969877606702506,
"volume": 67.00304869749954,
"volume_molar": 10.08754476513692,
"formula_full": "Ba1 B1 O2",
"formula_reduced": "BaBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9014038883333335,
"spacegroup": 99
},
{
"id": "jvasp-118504",
"created_at": "2022-09-04T14:38:51.059760Z",
"updated_at": "2022-09-04T14:38:51.059790Z",
"structure_string": "Sr1 H1 Se1\n1.0\n5.025273 -0.000000 -0.000000\n-2.512636 4.352014 0.000000\n-0.000000 0.000000 5.092352\nSr H Se\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 H\n0.333332 0.666666 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"H",
"Se"
],
"chemical_system": "H-Se-Sr",
"density": 2.4987539892975,
"density_atomic": 0.026937227559503313,
"volume": 111.37003588706796,
"volume_molar": 22.356201085272488,
"formula_full": "Sr1 H1 Se1",
"formula_reduced": "SrHSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9010232255555556,
"spacegroup": 187
}
]
}