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=1072",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1070",
"results": [
{
"id": "jvasp-106309",
"created_at": "2022-09-04T14:36:37.138398Z",
"updated_at": "2022-09-04T14:36:37.138427Z",
"structure_string": "Ni1 H6 Cl2\n1.0\n4.459344 0.244684 0.761082\n0.941929 4.365591 0.761082\n-0.083870 -0.071587 5.855769\nNi H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.245895 0.091495 0.787316 H\n0.754105 0.908504 0.212684 H\n0.908504 0.754104 0.212684 H\n0.091495 0.245894 0.787316 H\n0.481955 0.481954 0.443933 H\n0.518045 0.518044 0.556067 H\n0.803308 0.803307 0.765927 Cl\n0.196691 0.196691 0.234073 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"H",
"Cl"
],
"chemical_system": "Cl-H-Ni",
"density": 1.9915181131556439,
"density_atomic": 0.07957329674788143,
"volume": 113.10326915969607,
"volume_molar": 7.568042303287297,
"formula_full": "Ni1 H6 Cl2",
"formula_reduced": "Ni(H3Cl)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.1831867261111118,
"spacegroup": 12
},
{
"id": "jvasp-36282",
"created_at": "2022-09-04T14:37:19.703024Z",
"updated_at": "2022-09-04T14:37:19.703041Z",
"structure_string": "Ir1 N1\n1.0\n2.324992 2.324992 0.000000\n2.324992 0.000000 -2.324992\n-0.000000 2.324992 -2.324992\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.749999 0.749999 0.749999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 13.623644037602357,
"density_atomic": 0.07956748141647017,
"volume": 25.135896780892796,
"volume_molar": 7.568595427168365,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy_above_hull": 3.603077175,
"spacegroup": 216
},
{
"id": "jvasp-69644",
"created_at": "2022-09-04T14:36:02.759175Z",
"updated_at": "2022-09-04T14:36:02.759206Z",
"structure_string": "Na1 Be2 Rh1\n1.0\n-1.801321 1.801321 3.873374\n1.801321 -1.801321 3.873374\n1.801321 1.801321 -3.873374\nNa Be Rh\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n0.749999 0.250000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Rh"
],
"chemical_system": "Be-Na-Rh",
"density": 4.753762633829744,
"density_atomic": 0.07956614974066231,
"volume": 50.272634946363354,
"volume_molar": 7.568722100577379,
"formula_full": "Na1 Be2 Rh1",
"formula_reduced": "NaBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.54326605,
"spacegroup": 119
},
{
"id": "jvasp-90277",
"created_at": "2022-09-04T14:36:15.938552Z",
"updated_at": "2022-09-04T14:36:15.938581Z",
"structure_string": "Ni3 P3 W3\n1.0\n0.000000 0.000000 -3.817316\n-2.924699 -5.065729 0.000000\n-2.924757 5.065762 0.000000\nNi P W\n3 3 3\ndirect\n0.000000 0.253646 -0.000000 Ni\n0.000000 0.746318 0.746324 Ni\n0.000000 -0.000006 0.253677 Ni\n0.000000 0.333325 0.666675 P\n0.000000 0.666651 0.333326 P\n0.500000 -0.000010 0.000000 P\n0.500000 0.585929 -0.000000 W\n0.500000 0.414052 0.414056 W\n0.500000 -0.000004 0.585944 W\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"P",
"W"
],
"chemical_system": "Ni-P-W",
"density": 12.045424141009658,
"density_atomic": 0.0795656382659518,
"volume": 113.11415576051922,
"volume_molar": 7.56877075487124,
"formula_full": "Ni3 P3 W3",
"formula_reduced": "NiPW",
"formula_anonymous": "ABC",
"energy_above_hull": 3.424429300000001,
"spacegroup": 189
},
{
"id": "jvasp-35395",
"created_at": "2022-09-04T14:37:56.363035Z",
"updated_at": "2022-09-04T14:37:56.363060Z",
"structure_string": "Ta4 C3\n1.0\n4.447647 -0.000000 0.000000\n0.000000 4.447647 -0.000000\n-0.000000 0.000000 4.447647\nTa C\n4 3\ndirect\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.340719942432282,
"density_atomic": 0.07956225931228325,
"volume": 87.9814130532025,
"volume_molar": 7.569092195286955,
"formula_full": "Ta4 C3",
"formula_reduced": "Ta4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 7.258275257142856,
"spacegroup": 221
},
{
"id": "jvasp-74961",
"created_at": "2022-09-04T14:36:04.044282Z",
"updated_at": "2022-09-04T14:36:04.044311Z",
"structure_string": "Zr1 Be2 Ni1\n1.0\n-2.071248 2.071248 2.929920\n2.071248 -2.071248 2.929920\n2.071248 2.071248 -2.929920\nZr Be Ni\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Zr\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Ni"
],
"chemical_system": "Be-Ni-Zr",
"density": 5.546612808557784,
"density_atomic": 0.07955729960272916,
"volume": 50.27822739049809,
"volume_molar": 7.569564062721674,
"formula_full": "Zr1 Be2 Ni1",
"formula_reduced": "ZrBe2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.202442275,
"spacegroup": 216
},
{
"id": "jvasp-44226",
"created_at": "2022-09-04T14:38:11.200326Z",
"updated_at": "2022-09-04T14:38:11.200346Z",
"structure_string": "V2 O2 F6\n1.0\n0.000000 4.921653 0.350057\n5.545491 0.000000 0.000000\n0.000000 -2.796767 -4.804546\nV O F\n2 2 6\ndirect\n0.000014 0.275468 0.058115 V\n0.000014 0.724532 0.558116 V\n0.000111 0.522200 0.771154 O\n0.000111 0.477800 0.271154 O\n-0.000140 0.000746 0.722351 F\n0.583951 0.252546 0.766224 F\n-0.000140 0.999254 0.222351 F\n0.416065 0.747722 0.682156 F\n0.583951 0.747454 0.266224 F\n0.416065 0.252277 0.182155 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2744437273853855,
"density_atomic": 0.07955373582191408,
"volume": 125.70119927976246,
"volume_molar": 7.569903157635403,
"formula_full": "V2 O2 F6",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8029637094999998,
"spacegroup": 39
},
{
"id": "jvasp-8290",
"created_at": "2022-09-04T14:37:05.814290Z",
"updated_at": "2022-09-04T14:37:05.814300Z",
"structure_string": "Mg1 Ni2 N2\n1.0\n3.495126 0.000000 0.000000\n0.000000 3.495069 0.000000\n0.000000 0.000000 5.145173\nMg Ni N\n1 2 2\ndirect\n0.000000 0.000000 0.250000 Mg\n0.500001 0.500000 0.980272 Ni\n0.500001 0.500000 0.519728 Ni\n0.500001 0.000000 0.496540 N\n0.000000 0.500000 0.003459 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"N"
],
"chemical_system": "Mg-N-Ni",
"density": 4.483587756947188,
"density_atomic": 0.0795520602535442,
"volume": 62.85192343308596,
"volume_molar": 7.570062599015722,
"formula_full": "Mg1 Ni2 N2",
"formula_reduced": "Mg(NiN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.45923607,
"spacegroup": 115
},
{
"id": "jvasp-65230",
"created_at": "2022-09-04T14:35:58.958206Z",
"updated_at": "2022-09-04T14:35:58.958221Z",
"structure_string": "Li4 Be1 Pd1\n1.0\n0.000000 3.353483 3.353483\n3.353483 0.000000 3.353483\n3.353483 3.353483 0.000000\nLi Be Pd\n4 1 1\ndirect\n0.126925 0.624358 0.624358 Li\n0.624358 0.624358 0.624358 Li\n0.624358 0.126925 0.624358 Li\n0.624358 0.624358 0.126925 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Be",
"Pd"
],
"chemical_system": "Be-Li-Pd",
"density": 3.1525516688521944,
"density_atomic": 0.0795486708279485,
"volume": 75.42552172841548,
"volume_molar": 7.570385145749276,
"formula_full": "Li4 Be1 Pd1",
"formula_reduced": "Li4BePd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1748703,
"spacegroup": 216
},
{
"id": "jvasp-7842",
"created_at": "2022-09-04T14:36:59.300762Z",
"updated_at": "2022-09-04T14:36:59.300792Z",
"structure_string": "Al1 Cr2\n1.0\n2.802135 -0.000000 -0.919656\n-0.301830 2.785831 -0.919656\n0.027108 0.030204 4.811386\nAl Cr\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.315076 0.315075 0.630154 Cr\n0.684922 0.684923 0.369845 Cr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cr"
],
"chemical_system": "Al-Cr",
"density": 5.766642151117678,
"density_atomic": 0.07954464260497396,
"volume": 37.71467067742421,
"volume_molar": 7.5707685178831055,
"formula_full": "Al1 Cr2",
"formula_reduced": "AlCr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2902492000000008,
"spacegroup": 139
},
{
"id": "jvasp-13793",
"created_at": "2022-09-04T14:38:39.236960Z",
"updated_at": "2022-09-04T14:38:39.236986Z",
"structure_string": "Ta4 Zn6 O16\n1.0\n5.793257 -0.239160 2.103138\n-0.154042 5.796145 2.103138\n-0.215493 -0.212351 9.584484\nTa Zn O\n4 6 16\ndirect\n0.223970 0.939351 0.872340 Ta\n0.776032 0.060650 0.127659 Ta\n0.939351 0.223969 0.372340 Ta\n0.060650 0.776032 0.627659 Ta\n0.365902 0.318719 0.494430 Zn\n0.681282 0.634099 0.005570 Zn\n0.634099 0.681282 0.505569 Zn\n0.318719 0.365902 0.994430 Zn\n0.762331 0.237670 0.750000 Zn\n0.237671 0.762331 0.250000 Zn\n0.985359 0.715807 0.855537 O\n0.284194 0.014642 0.644463 O\n0.141427 0.938590 0.395858 O\n0.820279 0.573964 0.645463 O\n0.938591 0.141427 0.895858 O\n0.715807 0.985359 0.355537 O\n0.014642 0.284194 0.144463 O\n0.420484 0.691635 0.908044 O\n0.308367 0.579518 0.591955 O\n0.579518 0.308366 0.091955 O\n0.691635 0.420484 0.408045 O\n0.573965 0.820279 0.145463 O\n0.179722 0.426037 0.354537 O\n0.426037 0.179722 0.854536 O\n0.858574 0.061411 0.604141 O\n0.061411 0.858574 0.104142 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"O"
],
"chemical_system": "O-Ta-Zn",
"density": 6.971094235415033,
"density_atomic": 0.0795419842629132,
"volume": 326.871403082694,
"volume_molar": 7.571021537625696,
"formula_full": "Ta4 Zn6 O16",
"formula_reduced": "Ta2Zn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.461259046153846,
"spacegroup": 15
},
{
"id": "jvasp-65194",
"created_at": "2022-09-04T14:35:57.305024Z",
"updated_at": "2022-09-04T14:35:57.305038Z",
"structure_string": "Be1 In1 Co4\n1.0\n-0.000000 3.353580 3.353580\n3.353580 -0.000000 3.353580\n3.353580 3.353580 0.000000\nBe In Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 In\n0.122732 0.625756 0.625756 Co\n0.625756 0.625756 0.625756 Co\n0.625756 0.122732 0.625756 Co\n0.625756 0.625756 0.122732 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"In",
"Co"
],
"chemical_system": "Be-Co-In",
"density": 7.915312002417841,
"density_atomic": 0.0795417683554689,
"volume": 75.43206700140543,
"volume_molar": 7.57104208833691,
"formula_full": "Be1 In1 Co4",
"formula_reduced": "BeInCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.722391611666666,
"spacegroup": 216
}
]
}