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=chemical_system&page=3367",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3365",
"results": [
{
"id": "jvasp-4119",
"created_at": "2022-09-04T14:36:48.830480Z",
"updated_at": "2022-09-04T14:36:48.830504Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.581190 -2.738702 0.000000\n1.581190 2.738702 0.000000\n0.000000 0.000000 4.685848\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.431302 H\n0.333333 0.666667 0.568699 H\n0.666667 0.333333 0.223476 O\n0.333333 0.666667 0.776524 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.3862569118165795,
"density_atomic": 0.12320347966114051,
"volume": 40.583269350443885,
"volume_molar": 4.887963210587337,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5711952099999995,
"spacegroup": 164
},
{
"id": "jvasp-29829",
"created_at": "2022-09-04T14:37:35.860961Z",
"updated_at": "2022-09-04T14:37:35.860970Z",
"structure_string": "Mg1 H2 O2\n1.0\n3.162452 0.000046 -0.004349\n-1.581186 2.738694 0.000000\n0.006023 0.003477 4.684992\nMg H O\n1 2 2\ndirect\n-0.000000 0.061433 -0.000000 Mg\n0.333399 0.728218 0.568612 H\n0.666598 0.394819 0.431388 H\n0.333347 0.728133 0.776482 O\n0.666650 0.394784 0.223517 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.3866198723941237,
"density_atomic": 0.12322221947323356,
"volume": 40.57709738856071,
"volume_molar": 4.88721984212282,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5711732099999995,
"spacegroup": 164
},
{
"id": "jvasp-13094",
"created_at": "2022-09-04T14:36:30.850409Z",
"updated_at": "2022-09-04T14:36:30.850430Z",
"structure_string": "Mg4 H2 O5\n1.0\n1.519999 -2.632716 -0.000000\n1.519999 2.632716 -0.000000\n0.000000 0.000000 12.055698\nMg H O\n4 2 5\ndirect\n0.333333 0.666667 0.899229 Mg\n0.666667 0.333333 0.100771 Mg\n-0.000000 -0.000000 0.696857 Mg\n-0.000000 -0.000000 0.303143 Mg\n0.666667 0.333333 0.472461 H\n0.333333 0.666667 0.527539 H\n0.333333 0.666667 0.201733 O\n0.666667 0.333333 0.798267 O\n0.333333 0.666667 0.608205 O\n0.666667 0.333333 0.391796 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 3.084587610437404,
"density_atomic": 0.114004767771003,
"volume": 96.48719272947669,
"volume_molar": 5.28235869231052,
"formula_full": "Mg4 H2 O5",
"formula_reduced": "Mg4H2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.2926476090909091,
"spacegroup": 164
},
{
"id": "jvasp-115069",
"created_at": "2022-09-04T14:38:42.658298Z",
"updated_at": "2022-09-04T14:38:42.658324Z",
"structure_string": "Mg1 H2 O2\n1.0\n3.377028 0.000000 -0.000000\n-1.688514 2.924592 -0.000000\n-0.000000 0.000000 4.418551\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.968399 Mg\n0.333334 0.666666 0.020259 H\n0.666667 0.333333 0.427667 H\n0.333334 0.666666 0.796048 O\n0.666667 0.333333 0.207091 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.2191385021405767,
"density_atomic": 0.11457508366339128,
"volume": 43.639505555059756,
"volume_molar": 5.256064902987436,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6209912099999997,
"spacegroup": 156
},
{
"id": "jvasp-115068",
"created_at": "2022-09-04T14:38:42.985025Z",
"updated_at": "2022-09-04T14:38:42.985047Z",
"structure_string": "Mg1 H1 O2\n1.0\n2.982523 0.000000 -0.000000\n-0.000000 2.982523 -0.000000\n-0.000000 0.000000 4.087927\nMg H O\n1 1 2\ndirect\n0.499999 0.499999 0.545415 Mg\n0.000000 0.000000 0.841171 H\n0.000000 0.000000 0.599418 O\n0.499999 0.499999 0.056548 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.6171098783444213,
"density_atomic": 0.1099991316070537,
"volume": 36.36392343795103,
"volume_molar": 5.474716638230105,
"formula_full": "Mg1 H1 O2",
"formula_reduced": "MgHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2379165125,
"spacegroup": 99
},
{
"id": "jvasp-115064",
"created_at": "2022-09-04T14:38:42.976109Z",
"updated_at": "2022-09-04T14:38:42.976135Z",
"structure_string": "Mg1 H1 O1\n1.0\n5.602714 1.146180 0.000000\n1.067904 3.056281 0.000000\n0.000000 0.000000 3.369085\nMg H O\n1 1 1\ndirect\n0.294590 0.187485 0.000000 Mg\n-0.117272 0.060642 0.000000 H\n0.082288 -0.120296 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 1.2806622279280837,
"density_atomic": 0.05600502081409578,
"volume": 53.56662592731216,
"volume_molar": 10.752858712417977,
"formula_full": "Mg1 H1 O1",
"formula_reduced": "MgHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8374875166666669,
"spacegroup": 6
},
{
"id": "jvasp-30085",
"created_at": "2022-09-04T14:37:51.674576Z",
"updated_at": "2022-09-04T14:37:51.674605Z",
"structure_string": "Mg5 H8 O9\n1.0\n3.129561 -0.000007 -0.000006\n-1.564787 2.710290 -0.000000\n-0.000006 -0.000004 21.503773\nMg H O\n5 8 9\ndirect\n-0.000000 0.000001 0.500000 Mg\n0.000015 0.000008 0.281109 Mg\n-0.000016 -0.000007 0.718891 Mg\n0.333369 0.666684 0.056540 Mg\n0.666629 0.333316 0.943460 Mg\n0.666681 0.333342 0.812955 H\n0.333316 0.666659 0.187045 H\n0.666652 0.333326 0.375456 H\n0.333345 0.666674 0.624544 H\n0.666673 0.333337 0.150591 H\n0.333348 0.666675 0.405674 H\n0.666650 0.333326 0.594326 H\n0.333325 0.666664 0.849409 H\n0.333328 0.666664 0.232228 O\n0.666672 0.333336 0.549060 O\n0.333326 0.666664 0.450940 O\n0.666711 0.333355 0.105326 O\n0.333287 0.666646 0.894674 O\n0.000000 0.000000 0.000000 O\n0.666675 0.333338 0.330190 O\n0.333323 0.666663 0.669810 O\n0.666669 0.333336 0.767772 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.4907211335584476,
"density_atomic": 0.12061724123854682,
"volume": 182.3951515894002,
"volume_molar": 4.992769440058662,
"formula_full": "Mg5 H8 O9",
"formula_reduced": "Mg5H8O9",
"formula_anonymous": "A5B8C9",
"energy_above_hull": 2.106671670454545,
"spacegroup": 164
},
{
"id": "jvasp-13096",
"created_at": "2022-09-04T14:36:33.620427Z",
"updated_at": "2022-09-04T14:36:33.620455Z",
"structure_string": "Mg3 H4 O5\n1.0\n1.553099 -2.690045 -0.000000\n1.553099 2.690045 -0.000000\n-0.000000 -0.000000 12.112118\nMg H O\n3 4 5\ndirect\n0.333333 0.666668 0.899450 Mg\n0.666668 0.333333 0.100550 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.732025 H\n0.333333 0.666668 0.267975 H\n0.333333 0.666668 0.667480 H\n0.666668 0.333333 0.332520 H\n0.666668 0.333333 0.412710 O\n0.333333 0.666668 0.587290 O\n0.333333 0.666668 0.187644 O\n0.000000 0.000000 0.000000 O\n0.666668 0.333333 0.812356 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.57504235300796,
"density_atomic": 0.11856935899688797,
"volume": 101.206585761461,
"volume_molar": 5.079002544121082,
"formula_full": "Mg3 H4 O5",
"formula_reduced": "Mg3H4O5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.8427787208333333,
"spacegroup": 164
},
{
"id": "jvasp-13095",
"created_at": "2022-09-04T14:36:32.647024Z",
"updated_at": "2022-09-04T14:36:32.647051Z",
"structure_string": "Mg6 H4 O8\n1.0\n1.526590 -2.644130 0.000000\n1.526590 2.644130 -0.000000\n-0.000000 0.000000 19.437726\nMg H O\n6 4 8\ndirect\n0.333333 0.666667 0.752752 Mg\n0.666667 0.333333 0.627383 Mg\n0.333333 0.666667 0.372618 Mg\n0.666667 0.333333 0.247248 Mg\n0.000000 0.000000 0.121885 Mg\n0.000000 0.000000 0.878116 Mg\n0.666667 0.333333 0.477369 H\n0.333333 0.666667 0.522631 H\n0.666667 0.333333 0.017033 H\n0.333333 0.666667 0.982967 H\n0.000000 0.000000 0.690227 O\n0.666667 0.333333 0.067076 O\n0.000000 0.000000 0.309773 O\n0.333333 0.666667 0.572580 O\n0.666667 0.333333 0.427420 O\n0.333333 0.666667 0.932924 O\n0.666667 0.333333 0.815281 O\n0.333333 0.666667 0.184719 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.9402868995228526,
"density_atomic": 0.1147075058393119,
"volume": 156.92085594830485,
"volume_molar": 5.249997126113196,
"formula_full": "Mg6 H4 O8",
"formula_reduced": "Mg3(HO2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.3472379055555552,
"spacegroup": 164
},
{
"id": "jvasp-13356",
"created_at": "2022-09-04T14:36:58.251966Z",
"updated_at": "2022-09-04T14:36:58.251991Z",
"structure_string": "Mg3 H2 O6\n1.0\n3.134821 -0.000000 -0.000000\n-4.702230 8.730755 -1.108243\n-1.567410 2.467224 4.640300\nMg H O\n3 2 6\ndirect\n0.022786 0.708898 0.918880 Mg\n-0.000000 0.333333 0.000000 Mg\n0.977212 0.957768 0.081120 Mg\n0.709603 0.945953 0.581348 H\n0.290395 0.720713 0.418653 H\n0.312849 0.798372 0.230582 O\n0.687149 0.868294 0.769419 O\n0.339421 0.539621 0.059979 O\n0.795324 0.113847 0.249105 O\n0.660578 0.127045 0.940021 O\n0.204674 0.552818 0.750895 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.093561187650889,
"density_atomic": 0.0811367979568254,
"volume": 135.57350397107527,
"volume_molar": 7.422206584002129,
"formula_full": "Mg3 H2 O6",
"formula_reduced": "Mg3(HO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 1.7309071045454545,
"spacegroup": 12
},
{
"id": "jvasp-54769",
"created_at": "2022-09-04T14:37:02.155278Z",
"updated_at": "2022-09-04T14:37:02.155290Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.693731 -2.933627 -0.000000\n1.693731 2.933627 0.000000\n0.000000 0.000000 4.484293\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.967883 Mg\n0.333333 0.666667 0.021668 H\n0.666667 0.333333 0.423649 H\n0.333333 0.666667 0.800396 O\n0.666667 0.333333 0.205867 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.173156095716218,
"density_atomic": 0.11220099206972418,
"volume": 44.56288583342373,
"volume_molar": 5.367279423213752,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6235172099999997,
"spacegroup": 156
},
{
"id": "jvasp-8705",
"created_at": "2022-09-04T14:37:04.864419Z",
"updated_at": "2022-09-04T14:37:04.864449Z",
"structure_string": "Mg2 H2 O3\n1.0\n1.538489 -2.664741 0.000000\n1.538489 2.664741 -0.000000\n0.000000 -0.000000 7.384250\nMg H O\n2 2 3\ndirect\n0.333334 0.666667 0.165365 Mg\n0.666667 0.333334 0.834635 Mg\n0.333334 0.666667 0.559763 H\n0.666667 0.333334 0.440237 H\n0.333334 0.666667 0.691292 O\n0.666667 0.333334 0.308708 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.7048692430975176,
"density_atomic": 0.11561448611201192,
"volume": 60.54604604840021,
"volume_molar": 5.20881159664154,
"formula_full": "Mg2 H2 O3",
"formula_reduced": "Mg2H2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.431244085714286,
"spacegroup": 164
}
]
}