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=-formula_reduced&page=3613",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3611",
"results": [
{
"id": "jvasp-858",
"created_at": "2022-09-04T14:36:52.012380Z",
"updated_at": "2022-09-04T14:36:52.012406Z",
"structure_string": "Co2\n1.0\n1.243960 -2.154601 0.000000\n1.243960 2.154601 0.000000\n0.000000 0.000000 4.021676\nCo\n2\ndirect\n0.666667 0.333333 0.750001 Co\n0.333333 0.666667 0.250000 Co\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 9.078805912999318,
"density_atomic": 0.09277258285368088,
"volume": 21.558093334044187,
"volume_molar": 6.491293628741589,
"formula_full": "Co2",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy_above_hull": 0.0115199999999999,
"spacegroup": 194
},
{
"id": "jvasp-106940",
"created_at": "2022-09-04T14:36:56.842899Z",
"updated_at": "2022-09-04T14:36:56.842927Z",
"structure_string": "Co4\n1.0\n2.482444 -0.000000 0.000000\n-1.241222 2.149859 0.000000\n-0.000000 -0.000000 8.048954\nCo\n4\ndirect\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.250000 Co\n0.000000 0.000000 0.500000 Co\n0.666666 0.333333 0.750000 Co\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 9.112555624053176,
"density_atomic": 0.0931174572672366,
"volume": 42.95649942975194,
"volume_molar": 6.467252153070649,
"formula_full": "Co4",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy_above_hull": 0.0075799999999999,
"spacegroup": 194
},
{
"id": "jvasp-14776",
"created_at": "2022-09-04T14:38:10.349298Z",
"updated_at": "2022-09-04T14:38:10.349319Z",
"structure_string": "Co2\n1.0\n1.243973 -2.154624 0.000000\n1.243973 2.154624 -0.000000\n0.000000 0.000000 4.021742\nCo\n2\ndirect\n0.666666 0.333332 0.750000 Co\n0.333332 0.666666 0.250000 Co\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 9.078465135981228,
"density_atomic": 0.09276910059351931,
"volume": 21.558902557040813,
"volume_molar": 6.491537291481185,
"formula_full": "Co2",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy_above_hull": 0.0115199999999999,
"spacegroup": 194
},
{
"id": "jvasp-78763",
"created_at": "2022-09-04T14:37:18.129239Z",
"updated_at": "2022-09-04T14:37:18.129262Z",
"structure_string": "Co2\n1.0\n-1.244070 -2.154701 0.000000\n-1.244070 2.154701 0.000000\n0.000000 0.000000 -4.020342\nCo\n2\ndirect\n0.666691 0.333308 0.750000 Co\n0.333308 0.666691 0.250000 Co\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 9.080593914102767,
"density_atomic": 0.09279085370142252,
"volume": 21.553848469111983,
"volume_molar": 6.490015470035144,
"formula_full": "Co2",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy_above_hull": 0.01241,
"spacegroup": 194
},
{
"id": "jvasp-120050",
"created_at": "2022-09-04T14:38:52.720647Z",
"updated_at": "2022-09-04T14:38:52.720672Z",
"structure_string": "C1 N1 O2\n1.0\n3.358235 0.000000 0.000000\n0.000000 3.358235 0.000000\n0.000000 0.000000 5.828083\nC N O\n1 1 2\ndirect\n0.500000 0.500000 0.663616 C\n0.000000 0.000000 0.137936 N\n0.000000 0.000000 0.344114 O\n0.500000 0.500000 0.864334 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"C",
"N",
"O"
],
"chemical_system": "C-N-O",
"density": 1.4657182039698116,
"density_atomic": 0.060857218100123324,
"volume": 65.72761826574347,
"volume_molar": 9.895524225396358,
"formula_full": "C1 N1 O2",
"formula_reduced": "CNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0160950625,
"spacegroup": 99
},
{
"id": "jvasp-117876",
"created_at": "2022-09-04T14:38:50.439994Z",
"updated_at": "2022-09-04T14:38:50.440024Z",
"structure_string": "C2 N2 Cl2\n1.0\n3.731143 0.000000 0.000000\n0.000000 5.429162 0.000000\n0.000000 0.000000 5.639953\nC N Cl\n2 2 2\ndirect\n0.499999 0.500000 0.565739 C\n0.000000 0.000000 0.434261 C\n0.000000 0.000000 0.641145 N\n0.499999 0.500000 0.358855 N\n0.499999 0.500000 0.852633 Cl\n0.000000 0.000000 0.147367 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 1.7868782088197677,
"density_atomic": 0.05251714043608645,
"volume": 114.24841394976602,
"volume_molar": 11.46700050687064,
"formula_full": "C2 N2 Cl2",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.457259105833333,
"spacegroup": 59
},
{
"id": "jvasp-117873",
"created_at": "2022-09-04T14:38:54.170451Z",
"updated_at": "2022-09-04T14:38:54.170475Z",
"structure_string": "C1 N1 Cl1\n1.0\n3.912672 0.000000 -0.000000\n-1.956336 3.388474 0.000000\n-0.000000 -0.000000 2.726418\nC N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.666666 0.333333 0.000000 N\n0.333332 0.666667 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 2.8238725789564385,
"density_atomic": 0.08299486337159044,
"volume": 36.146815334440504,
"volume_molar": 7.25604033232424,
"formula_full": "C1 N1 Cl1",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 4.480279105833333,
"spacegroup": 187
},
{
"id": "jvasp-14343",
"created_at": "2022-09-04T14:36:59.931307Z",
"updated_at": "2022-09-04T14:36:59.931334Z",
"structure_string": "C2 N2 Cl2\n1.0\n3.761984 0.000000 0.000000\n0.000000 5.670516 0.000000\n0.000000 0.000000 5.435558\nC N Cl\n2 2 2\ndirect\n0.500000 0.432224 0.500000 C\n0.000000 0.567777 0.000000 C\n0.000000 0.361910 0.000000 N\n0.500000 0.638091 0.500000 N\n0.500000 0.147843 0.500000 Cl\n0.000000 0.852158 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 1.760603146759912,
"density_atomic": 0.051744904747412536,
"volume": 115.95344564432743,
"volume_molar": 11.638132854619146,
"formula_full": "C2 N2 Cl2",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.460912439166666,
"spacegroup": 59
},
{
"id": "jvasp-32826",
"created_at": "2022-09-04T14:38:03.933697Z",
"updated_at": "2022-09-04T14:38:03.933717Z",
"structure_string": "C6 N6 Cl6\n1.0\n6.699167 0.027272 3.155423\n2.610993 6.169465 3.155423\n0.064854 0.043166 7.337303\nC N Cl\n6 6 6\ndirect\n0.845688 0.154312 0.249999 C\n0.492620 0.326245 0.262219 C\n0.507380 0.673755 0.737780 C\n0.673755 0.507380 0.237780 C\n0.154312 0.845688 0.750000 C\n0.326245 0.492620 0.762219 C\n0.332248 0.859064 0.738305 N\n0.667752 0.140936 0.261694 N\n0.859065 0.332248 0.238305 N\n0.140935 0.667752 0.761694 N\n0.485059 0.514941 0.250000 N\n0.514941 0.485059 0.749999 N\n0.077668 0.922331 0.250000 Cl\n0.922332 0.077668 0.749999 Cl\n0.323727 0.256079 0.778419 Cl\n0.743921 0.676272 0.721580 Cl\n0.676272 0.743920 0.221580 Cl\n0.256079 0.323728 0.278419 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 2.035262246719774,
"density_atomic": 0.059817257106652755,
"volume": 300.9165058823481,
"volume_molar": 10.067564196838154,
"formula_full": "C6 N6 Cl6",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3589657724999995,
"spacegroup": 15
},
{
"id": "jvasp-117874",
"created_at": "2022-09-04T14:38:29.174389Z",
"updated_at": "2022-09-04T14:38:29.174414Z",
"structure_string": "C1 N1 Cl1\n1.0\n3.729961 -0.000000 -0.000000\n-0.000000 3.729961 -0.000000\n0.000000 -0.000000 7.835852\nC N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.156456 C\n0.000000 0.000000 0.005209 N\n0.000000 0.000000 0.797964 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 0.9363114410488281,
"density_atomic": 0.027518607143322948,
"volume": 109.01714553993745,
"volume_molar": 21.883886523163653,
"formula_full": "C1 N1 Cl1",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.698362439166666,
"spacegroup": 99
},
{
"id": "jvasp-117875",
"created_at": "2022-09-04T14:38:47.034857Z",
"updated_at": "2022-09-04T14:38:47.034888Z",
"structure_string": "C1 N1 Cl1\n1.0\n3.743248 -0.602850 0.000000\n-0.317098 5.053305 0.000000\n0.000000 0.000000 3.604400\nC N Cl\n1 1 1\ndirect\n0.703093 0.037762 0.000000 C\n-0.502145 -0.170972 0.000000 N\n-0.017787 0.331128 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 1.5124093181715608,
"density_atomic": 0.04445037841259667,
"volume": 67.49098898896749,
"volume_molar": 13.548007857439076,
"formula_full": "C1 N1 Cl1",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.467482439166666,
"spacegroup": 6
},
{
"id": "jvasp-91795",
"created_at": "2022-09-04T14:35:54.882771Z",
"updated_at": "2022-09-04T14:35:54.882798Z",
"structure_string": "C2 N4 O2\n1.0\n0.000000 0.000000 6.226533\n4.218151 -0.000000 -0.000000\n-0.000000 4.218151 -0.000000\nC N O\n2 4 2\ndirect\n0.362024 0.000000 0.500000 C\n0.637976 0.500000 0.000000 C\n0.166555 0.889558 0.389558 N\n0.833445 0.610442 0.889558 N\n0.166555 0.110442 0.610442 N\n0.833445 0.389558 0.110442 N\n0.555214 0.000000 0.500000 O\n0.444785 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"C",
"N",
"O"
],
"chemical_system": "C-N-O",
"density": 1.67941795303182,
"density_atomic": 0.0722103496677199,
"volume": 110.78744303015375,
"volume_molar": 8.339719704600835,
"formula_full": "C2 N4 O2",
"formula_reduced": "CN2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.8214825,
"spacegroup": 113
}
]
}