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=created_at&page=544",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=542",
"results": [
{
"id": "jvasp-92746",
"created_at": "2022-09-04T14:35:58.670257Z",
"updated_at": "2022-09-04T14:35:58.670283Z",
"structure_string": "Y2 Ga1 Ni2\n1.0\n0.000000 -0.000000 4.169664\n-4.104305 2.704399 2.084832\n-4.104305 -2.704399 2.084832\nY Ga Ni\n2 1 2\ndirect\n0.203699 0.296301 0.296301 Y\n0.796301 0.703698 0.703698 Y\n0.000000 0.000000 0.000000 Ga\n0.500000 0.271978 0.728020 Ni\n0.500000 0.728020 0.271978 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Y",
"density": 6.546468759809288,
"density_atomic": 0.05401676301086422,
"volume": 92.56385835253337,
"volume_molar": 11.148651685753153,
"formula_full": "Y2 Ga1 Ni2",
"formula_reduced": "Y2GaNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.463567605,
"spacegroup": 71
},
{
"id": "jvasp-105862",
"created_at": "2022-09-04T14:35:58.670346Z",
"updated_at": "2022-09-04T14:35:58.670374Z",
"structure_string": "Ta1 Ag1 O3\n1.0\n3.988403 0.000000 -0.000000\n-0.000000 3.988403 0.000000\n0.000000 -0.000000 3.988403\nTa Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"O"
],
"chemical_system": "Ag-O-Ta",
"density": 8.815409490736812,
"density_atomic": 0.07880847098971422,
"volume": 63.44495632522272,
"volume_molar": 7.641489150050871,
"formula_full": "Ta1 Ag1 O3",
"formula_reduced": "TaAgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.479625392,
"spacegroup": 221
},
{
"id": "jvasp-86527",
"created_at": "2022-09-04T14:35:58.670737Z",
"updated_at": "2022-09-04T14:35:58.670768Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242110 0.018154 -0.832651\n-0.494071 6.775537 -2.004865\n0.006859 -0.022367 9.109070\nTi Tl P S\n2 2 2 10\ndirect\n0.502336 0.276917 0.000818 Ti\n0.497664 0.723082 0.999182 Ti\n0.725279 0.685059 0.450929 Tl\n0.274722 0.314940 0.549070 Tl\n0.277292 0.895436 0.729093 P\n0.722708 0.104564 0.270906 P\n0.155971 0.692602 0.826389 S\n0.332399 0.543734 0.132522 S\n0.397101 0.061706 0.175279 S\n0.602899 0.938293 0.824720 S\n0.159285 0.163871 0.831310 S\n0.772791 0.188061 0.501786 S\n0.667601 0.456265 0.867478 S\n0.227209 0.811938 0.498213 S\n0.840715 0.836128 0.168690 S\n0.844029 0.307397 0.173610 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Tl",
"P",
"S"
],
"chemical_system": "P-S-Ti-Tl",
"density": 3.825270008468006,
"density_atomic": 0.041549071194223984,
"volume": 385.0868272170731,
"volume_molar": 14.494044239518832,
"formula_full": "Ti2 Tl2 P2 S10",
"formula_reduced": "TiTlPS5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.178690804166667,
"spacegroup": 2
},
{
"id": "jvasp-66495",
"created_at": "2022-09-04T14:35:58.678610Z",
"updated_at": "2022-09-04T14:35:58.678645Z",
"structure_string": "Ba4 Pb1 W1\n1.0\n-0.000000 4.924169 4.924169\n4.924169 0.000000 4.924169\n4.924169 4.924169 -0.000000\nBa Pb W\n4 1 1\ndirect\n0.125305 0.624898 0.624898 Ba\n0.624898 0.624898 0.624898 Ba\n0.624898 0.125305 0.624898 Ba\n0.624898 0.624898 0.125305 Ba\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"W"
],
"chemical_system": "Ba-Pb-W",
"density": 6.538962666851239,
"density_atomic": 0.025125945044454732,
"volume": 238.79698810867984,
"volume_molar": 23.967817924241935,
"formula_full": "Ba4 Pb1 W1",
"formula_reduced": "Ba4PbW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4999424499999998,
"spacegroup": 216
},
{
"id": "jvasp-71236",
"created_at": "2022-09-04T14:35:58.680045Z",
"updated_at": "2022-09-04T14:35:58.680067Z",
"structure_string": "Be1 Cu1 Sn2\n1.0\n3.092437 0.000000 -0.000000\n0.000000 3.092437 0.000000\n0.000000 -0.000000 8.157123\nBe Cu Sn\n1 1 2\ndirect\n0.000000 0.000000 0.572905 Be\n0.500000 0.500000 0.675304 Cu\n0.000000 0.000000 0.920706 Sn\n0.500000 0.500000 0.331085 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Sn"
],
"chemical_system": "Be-Cu-Sn",
"density": 6.59844333729528,
"density_atomic": 0.05127684062332942,
"volume": 78.0079262172818,
"volume_molar": 11.744367801904133,
"formula_full": "Be1 Cu1 Sn2",
"formula_reduced": "BeCuSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6090724875,
"spacegroup": 99
},
{
"id": "jvasp-15705",
"created_at": "2022-09-04T14:35:58.680839Z",
"updated_at": "2022-09-04T14:35:58.680857Z",
"structure_string": "Sr2 Ag2 As2\n1.0\n2.279620 -3.948417 -0.000000\n2.279620 3.948417 0.000000\n-0.000000 -0.000000 8.340817\nSr Ag As\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.750000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Ag",
"As"
],
"chemical_system": "Ag-As-Sr",
"density": 5.981050371683041,
"density_atomic": 0.0399601574092798,
"volume": 150.14955868533795,
"volume_molar": 15.070362957583095,
"formula_full": "Sr2 Ag2 As2",
"formula_reduced": "SrAgAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1562017733333335,
"spacegroup": 194
},
{
"id": "jvasp-67315",
"created_at": "2022-09-04T14:35:58.682518Z",
"updated_at": "2022-09-04T14:35:58.682545Z",
"structure_string": "Be2 Re1 Os1\n1.0\n2.801811 0.000000 0.000000\n0.000000 2.801811 0.000000\n0.000000 0.000000 5.861641\nBe Re Os\n2 1 1\ndirect\n0.000000 0.000000 0.039638 Be\n0.500000 0.500000 0.222021 Be\n0.500000 0.500000 0.770462 Re\n0.000000 0.000000 0.467879 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Os"
],
"chemical_system": "Be-Os-Re",
"density": 14.234974100056416,
"density_atomic": 0.08692868361639472,
"volume": 46.014731082912675,
"volume_molar": 6.927679690371184,
"formula_full": "Be2 Re1 Os1",
"formula_reduced": "Be2ReOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.1046438,
"spacegroup": 99
},
{
"id": "jvasp-68781",
"created_at": "2022-09-04T14:35:58.686627Z",
"updated_at": "2022-09-04T14:35:58.686645Z",
"structure_string": "Na2 Ti1 Be2\n1.0\n-1.799980 1.799980 6.524850\n1.799980 -1.799980 6.524850\n1.799980 1.799980 -6.524850\nNa Ti Be\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n0.575440 0.575440 0.000000 Be\n0.424560 0.424560 0.000000 Be\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Be"
],
"chemical_system": "Be-Na-Ti",
"density": 2.196849758701586,
"density_atomic": 0.05912948844293699,
"volume": 84.56017685363976,
"volume_molar": 10.184665754062253,
"formula_full": "Na2 Ti1 Be2",
"formula_reduced": "Na2TiBe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4292757066666668,
"spacegroup": 139
},
{
"id": "jvasp-63927",
"created_at": "2022-09-04T14:35:58.686934Z",
"updated_at": "2022-09-04T14:35:58.686964Z",
"structure_string": "Ba4 Zn1 Fe1\n1.0\n-0.000000 4.918515 4.918515\n4.918515 -0.000000 4.918515\n4.918515 4.918515 0.000000\nBa Zn Fe\n4 1 1\ndirect\n0.126289 0.624569 0.624569 Ba\n0.624569 0.624569 0.624569 Ba\n0.624569 0.126289 0.624569 Ba\n0.624569 0.624569 0.126289 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Fe"
],
"chemical_system": "Ba-Fe-Zn",
"density": 4.6790322657884795,
"density_atomic": 0.02521269406995708,
"volume": 237.97536206769252,
"volume_molar": 23.88535212972682,
"formula_full": "Ba4 Zn1 Fe1",
"formula_reduced": "Ba4ZnFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3442399633333333,
"spacegroup": 216
},
{
"id": "jvasp-62045",
"created_at": "2022-09-04T14:35:58.689832Z",
"updated_at": "2022-09-04T14:35:58.689855Z",
"structure_string": "Au4 Br4\n1.0\n-3.556681 3.556681 4.550173\n3.556681 -3.556681 4.550173\n3.556681 3.556681 -4.550173\nAu Br\n4 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.500000 -0.000000 0.000000 Au\n0.183779 0.433779 0.250000 Br\n0.433779 0.183779 0.750000 Br\n0.816220 0.566221 0.750000 Br\n0.566221 0.816220 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Au",
"Br"
],
"chemical_system": "Au-Br",
"density": 7.98744998602285,
"density_atomic": 0.03474659536377989,
"volume": 230.23838497682738,
"volume_molar": 17.33159953356905,
"formula_full": "Au4 Br4",
"formula_reduced": "AuBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0793208374999999,
"spacegroup": 141
},
{
"id": "jvasp-74056",
"created_at": "2022-09-04T14:35:58.694555Z",
"updated_at": "2022-09-04T14:35:58.694582Z",
"structure_string": "Be1 V2 Tc1\n1.0\n3.048876 0.000000 0.000000\n0.000000 3.048876 0.000000\n0.000000 0.000000 5.349935\nBe V Tc\n1 2 1\ndirect\n0.000000 0.000000 0.502647 Be\n0.000000 0.000000 0.999603 V\n0.500001 0.500001 0.274849 V\n0.500001 0.500001 0.722900 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Tc"
],
"chemical_system": "Be-Tc-V",
"density": 6.9750848023853935,
"density_atomic": 0.08043257313118432,
"volume": 49.73109580214548,
"volume_molar": 7.48719147673913,
"formula_full": "Be1 V2 Tc1",
"formula_reduced": "BeV2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.958389,
"spacegroup": 99
},
{
"id": "jvasp-98216",
"created_at": "2022-09-04T14:35:58.697717Z",
"updated_at": "2022-09-04T14:35:58.697734Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.277238 0.000000 0.000000\n0.000000 5.352945 0.000000\n0.000000 0.000000 7.483877\nCa Cr O\n4 4 12\ndirect\n0.008353 0.957891 0.750000 Ca\n0.508353 0.542109 0.250000 Ca\n0.491647 0.457890 0.750000 Ca\n0.991647 0.042108 0.250000 Ca\n0.500000 0.000000 0.500000 Cr\n0.000000 0.499999 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.499999 0.500000 Cr\n0.791110 0.790196 0.462077 O\n0.291109 0.709802 0.537924 O\n0.927379 0.514045 0.750000 O\n0.291109 0.709802 0.962076 O\n0.791110 0.790196 0.037923 O\n0.208891 0.209803 0.537924 O\n0.708891 0.290198 0.462077 O\n0.072621 0.485954 0.250000 O\n0.572621 0.014045 0.750000 O\n0.427379 0.985955 0.250000 O\n0.708891 0.290198 0.037923 O\n0.208891 0.209803 0.962076 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.400836615841389,
"density_atomic": 0.0946027786061826,
"volume": 211.41028091000422,
"volume_molar": 6.365712348755932,
"formula_full": "Ca4 Cr4 O12",
"formula_reduced": "CaCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9337896639999996,
"spacegroup": 62
}
]
}