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=-energy_above_hull&page=712",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=710",
"results": [
{
"id": "jvasp-106773",
"created_at": "2022-09-04T14:37:03.545936Z",
"updated_at": "2022-09-04T14:37:03.545962Z",
"structure_string": "Mn1 Cr3 Te4\n1.0\n4.131136 -0.000000 0.000000\n0.000000 6.114707 -0.000043\n-0.000000 -0.000629 7.166022\nMn Cr Te\n1 3 4\ndirect\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.754399 0.168201 Te\n-0.000000 0.750929 0.665169 Te\n-0.000000 0.249071 0.334831 Te\n0.500000 0.245602 0.831799 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"Te"
],
"chemical_system": "Cr-Mn-Te",
"density": 6.616946307804824,
"density_atomic": 0.044194345438175964,
"volume": 181.01863305547317,
"volume_molar": 13.626496105535605,
"formula_full": "Mn1 Cr3 Te4",
"formula_reduced": "MnCr3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.241142563505747,
"spacegroup": 10
},
{
"id": "jvasp-40794",
"created_at": "2022-09-04T14:37:52.589147Z",
"updated_at": "2022-09-04T14:37:52.589177Z",
"structure_string": "Ta1 Al1 Pt1\n1.0\n3.757893 0.000001 2.169624\n1.252634 3.542973 2.169621\n0.000006 -0.000000 4.339237\nTa Al Pt\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Al\n0.500000 0.499999 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Al",
"Pt"
],
"chemical_system": "Al-Pt-Ta",
"density": 11.583595077968795,
"density_atomic": 0.051927333089408556,
"volume": 57.77304208622838,
"volume_molar": 11.597246385889045,
"formula_full": "Ta1 Al1 Pt1",
"formula_reduced": "TaAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 3.241107799999999,
"spacegroup": 216
},
{
"id": "jvasp-68251",
"created_at": "2022-09-04T14:36:17.936675Z",
"updated_at": "2022-09-04T14:36:17.936703Z",
"structure_string": "Ca1 Be1 Nb2\n1.0\n-2.126160 2.126160 4.065072\n2.126160 -2.126160 4.065072\n2.126160 2.126160 -4.065072\nCa Be Nb\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Ca\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Nb\n0.250000 0.750000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Nb"
],
"chemical_system": "Be-Ca-Nb",
"density": 5.306613203146134,
"density_atomic": 0.05441766102574264,
"volume": 73.50554809968354,
"volume_molar": 11.06651893243112,
"formula_full": "Ca1 Be1 Nb2",
"formula_reduced": "CaBeNb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.24104133,
"spacegroup": 119
},
{
"id": "jvasp-105934",
"created_at": "2022-09-04T14:35:52.275191Z",
"updated_at": "2022-09-04T14:35:52.275219Z",
"structure_string": "Fe2 Co1 Si1\n1.0\n3.432651 -0.000000 1.981843\n1.144217 3.236334 1.981843\n-0.000000 -0.000000 3.963684\nFe Co Si\n2 1 1\ndirect\n0.750001 0.749999 0.749998 Fe\n0.500001 0.499999 0.499999 Fe\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.249999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Si",
"density": 7.493487006296268,
"density_atomic": 0.09084017898812533,
"volume": 44.03337867181968,
"volume_molar": 6.629380112502,
"formula_full": "Fe2 Co1 Si1",
"formula_reduced": "Fe2CoSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.240842625,
"spacegroup": 216
},
{
"id": "jvasp-103700",
"created_at": "2022-09-04T14:36:53.924803Z",
"updated_at": "2022-09-04T14:36:53.924819Z",
"structure_string": "Mn1 Cr3 Te4\n1.0\n6.442877 0.003969 3.588899\n5.111142 3.922614 3.588899\n0.014211 0.004829 7.170638\nMn Cr Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Cr\n0.243627 0.243627 0.753464 Cr\n0.756373 0.756372 0.246536 Cr\n0.871619 0.871618 0.790828 Te\n0.375457 0.375456 0.295153 Te\n0.624544 0.624543 0.704848 Te\n0.128382 0.128382 0.209173 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"Te"
],
"chemical_system": "Cr-Mn-Te",
"density": 6.622949468744508,
"density_atomic": 0.04423444033330553,
"volume": 180.854554499168,
"volume_molar": 13.614144803513513,
"formula_full": "Mn1 Cr3 Te4",
"formula_reduced": "MnCr3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.240825063505747,
"spacegroup": 12
},
{
"id": "jvasp-14714",
"created_at": "2022-09-04T14:35:58.449475Z",
"updated_at": "2022-09-04T14:35:58.449500Z",
"structure_string": "Nb1 Ru1\n1.0\n3.058094 0.000000 0.000000\n0.000000 3.058094 0.000000\n0.000000 0.000000 3.449152\nNb Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.499999 0.499999 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Ru"
],
"chemical_system": "Nb-Ru",
"density": 9.98582504356822,
"density_atomic": 0.06200347077090797,
"volume": 32.25625880508612,
"volume_molar": 9.712586545760903,
"formula_full": "Nb1 Ru1",
"formula_reduced": "NbRu",
"formula_anonymous": "AB",
"energy_above_hull": 3.24077495,
"spacegroup": 123
},
{
"id": "jvasp-30159",
"created_at": "2022-09-04T14:36:50.405576Z",
"updated_at": "2022-09-04T14:36:50.405608Z",
"structure_string": "Mn2 P4 H16 O20\n1.0\n5.273410 0.000000 -0.341566\n0.000000 10.255596 0.000000\n0.132836 0.000000 7.174987\nMn P H O\n2 4 16 20\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.255999 0.716237 0.161253 P\n0.755999 0.783763 0.661253 P\n0.744002 0.283763 0.838746 P\n0.244002 0.216237 0.338747 P\n0.152562 0.106234 0.599202 H\n0.847439 0.893766 0.400798 H\n0.347439 0.606235 0.900799 H\n0.173836 0.450529 0.779606 H\n0.673836 0.049471 0.279606 H\n0.826164 0.549471 0.220394 H\n0.326165 0.950529 0.720394 H\n0.652561 0.393766 0.099201 H\n0.116518 0.274090 0.989663 H\n0.383483 0.774090 0.510338 H\n0.883483 0.725910 0.010337 H\n0.059113 0.576314 0.677099 H\n0.559113 0.923687 0.177099 H\n0.940887 0.423687 0.322900 H\n0.440888 0.076313 0.822901 H\n0.616517 0.225910 0.489662 H\n0.529976 0.172962 0.382964 O\n0.426914 0.643022 0.021672 O\n0.926914 0.856979 0.521672 O\n0.274389 0.034113 0.780458 O\n0.073086 0.143022 0.478327 O\n0.029977 0.327038 0.882964 O\n0.774388 0.465887 0.280457 O\n0.573087 0.356979 0.978327 O\n0.470024 0.827039 0.617036 O\n0.834568 0.831362 0.856730 O\n0.165432 0.168638 0.143270 O\n0.665433 0.331362 0.643270 O\n0.334568 0.668639 0.356730 O\n0.226197 0.363863 0.363335 O\n0.726197 0.136138 0.863335 O\n0.773804 0.636138 0.636665 O\n0.273804 0.863863 0.136665 O\n0.725612 0.965887 0.219541 O\n0.970024 0.672962 0.117036 O\n0.225612 0.534114 0.719542 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Mn-O-P",
"density": 2.435808729898229,
"density_atomic": 0.1081073574871004,
"volume": 388.502697469148,
"volume_molar": 5.570518880473584,
"formula_full": "Mn2 P4 H16 O20",
"formula_reduced": "MnP2(H4O5)2",
"formula_anonymous": "AB2C8D10",
"energy_above_hull": 3.240698249589491,
"spacegroup": 14
},
{
"id": "jvasp-109622",
"created_at": "2022-09-04T14:38:18.657336Z",
"updated_at": "2022-09-04T14:38:18.657353Z",
"structure_string": "Zr6 Sn2\n1.0\n6.286840 -0.000000 0.000000\n-3.143420 5.444563 0.000000\n-0.000000 -0.000000 5.193955\nZr Sn\n6 2\ndirect\n0.167163 0.334327 0.250000 Zr\n0.665672 0.832836 0.250000 Zr\n0.167163 0.832836 0.250000 Zr\n0.832837 0.665672 0.750001 Zr\n0.334328 0.167163 0.750001 Zr\n0.832837 0.167163 0.750001 Zr\n0.333333 0.666666 0.750001 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.329840963916234,
"density_atomic": 0.04499832718969978,
"volume": 177.78438665673818,
"volume_molar": 13.38303251721429,
"formula_full": "Zr6 Sn2",
"formula_reduced": "Zr3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2405887999999994,
"spacegroup": 194
},
{
"id": "jvasp-30440",
"created_at": "2022-09-04T14:38:05.576755Z",
"updated_at": "2022-09-04T14:38:05.576774Z",
"structure_string": "Pa2 P6\n1.0\n5.600431 -0.000000 0.000000\n-2.800216 4.850116 -0.000000\n0.000000 0.000000 5.469420\nPa P\n2 6\ndirect\n0.333332 0.666666 0.750001 Pa\n0.666667 0.333332 0.250001 Pa\n0.188228 0.376457 0.250001 P\n0.623541 0.811770 0.250001 P\n0.188229 0.811770 0.250001 P\n0.811771 0.623543 0.750001 P\n0.376457 0.188230 0.750001 P\n0.811771 0.188230 0.750001 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"P"
],
"chemical_system": "P-Pa",
"density": 7.241888488351939,
"density_atomic": 0.053848689193867386,
"volume": 148.56443341077815,
"volume_molar": 11.183449124116912,
"formula_full": "Pa2 P6",
"formula_reduced": "PaP3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2404274,
"spacegroup": 194
},
{
"id": "jvasp-103257",
"created_at": "2022-09-04T14:37:05.068195Z",
"updated_at": "2022-09-04T14:37:05.068220Z",
"structure_string": "Hf2 H6\n1.0\n4.731555 0.000000 0.000000\n-2.365778 4.097647 -0.000000\n-0.000000 0.000000 3.232076\nHf H\n2 6\ndirect\n0.333333 0.666667 0.750001 Hf\n0.666668 0.333333 0.250000 Hf\n0.180544 0.361087 0.250000 H\n0.638914 0.819457 0.250000 H\n0.180544 0.819457 0.250000 H\n0.819457 0.638914 0.750001 H\n0.361087 0.180544 0.750001 H\n0.819457 0.180544 0.750001 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"H"
],
"chemical_system": "H-Hf",
"density": 9.619860853744983,
"density_atomic": 0.12766445259735304,
"volume": 62.66427213871021,
"volume_molar": 4.71716334302824,
"formula_full": "Hf2 H6",
"formula_reduced": "HfH3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.24037575,
"spacegroup": 194
},
{
"id": "jvasp-74234",
"created_at": "2022-09-04T14:36:00.195954Z",
"updated_at": "2022-09-04T14:36:00.195975Z",
"structure_string": "La1 Ta1 Be2\n1.0\n-1.990110 1.990110 4.473060\n1.990110 -1.990110 4.473060\n1.990110 1.990110 -4.473060\nLa Ta Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 La\n0.750000 0.250000 0.500000 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ta",
"Be"
],
"chemical_system": "Be-La-Ta",
"density": 7.917530876567038,
"density_atomic": 0.056447032107965846,
"volume": 70.8628930631681,
"volume_molar": 10.668657917180647,
"formula_full": "La1 Ta1 Be2",
"formula_reduced": "LaTaBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2403215999999992,
"spacegroup": 119
},
{
"id": "jvasp-32216",
"created_at": "2022-09-04T14:36:02.911053Z",
"updated_at": "2022-09-04T14:36:02.911077Z",
"structure_string": "Zn2 H8 C4 O12\n1.0\n5.209607 -0.000000 1.793026\n2.559194 5.625834 1.029031\n0.075055 0.023285 8.246655\nZn H C O\n2 8 4 12\ndirect\n0.435761 0.749999 0.750000 Zn\n0.564239 0.250000 0.250000 Zn\n0.180377 0.190408 0.641564 H\n0.647772 0.311516 0.650719 H\n0.110008 0.188483 0.849281 H\n0.352228 0.688483 0.349281 H\n0.819623 0.809591 0.358436 H\n0.487648 0.690408 0.141564 H\n0.889992 0.811516 0.150719 H\n0.512351 0.309591 0.858436 H\n0.116993 0.248128 0.149717 C\n0.985163 0.748127 0.649717 C\n0.883007 0.751870 0.850283 C\n0.014836 0.251871 0.350283 C\n0.818767 0.746092 0.575962 O\n0.049377 0.752578 0.925191 O\n0.359176 0.246093 0.075962 O\n0.227148 0.747419 0.574809 O\n0.640823 0.753905 0.924038 O\n0.772852 0.252579 0.425191 O\n0.374660 0.625121 0.240082 O\n0.739863 0.874878 0.259918 O\n0.260136 0.125121 0.740082 O\n0.950623 0.247420 0.074809 O\n0.181232 0.253906 0.424038 O\n0.625340 0.374878 0.759918 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.611671627975519,
"density_atomic": 0.1079191693339313,
"volume": 240.92105378933115,
"volume_molar": 5.580232684488014,
"formula_full": "Zn2 H8 C4 O12",
"formula_reduced": "ZnH4(CO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 3.240247030769231,
"spacegroup": 15
}
]
}