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=updated_at&page=555",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=553",
"results": [
{
"id": "jvasp-3165",
"created_at": "2022-09-04T14:35:59.032580Z",
"updated_at": "2022-09-04T14:35:59.032606Z",
"structure_string": "K4 Zn1 P2\n1.0\n5.370062 0.021277 7.593705\n2.429261 4.789228 7.593705\n0.034497 0.021277 9.300576\nK Zn P\n4 1 2\ndirect\n0.208425 0.208426 0.208425 K\n0.791574 0.791576 0.791573 K\n0.384729 0.384730 0.384728 K\n0.615271 0.615272 0.615270 K\n0.000000 0.000000 0.000000 Zn\n0.085094 0.085094 0.085094 P\n0.914905 0.914908 0.914905 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Zn",
"P"
],
"chemical_system": "K-P-Zn",
"density": 1.9881618055155201,
"density_atomic": 0.02953692097838118,
"volume": 236.99152681227258,
"volume_molar": 20.38851904844028,
"formula_full": "K4 Zn1 P2",
"formula_reduced": "K4ZnP2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0566199285714285,
"spacegroup": 166
},
{
"id": "jvasp-86700",
"created_at": "2022-09-04T14:35:59.034479Z",
"updated_at": "2022-09-04T14:35:59.034504Z",
"structure_string": "Nb4 Se8\n1.0\n3.497786 0.000000 0.000000\n-1.748893 3.018857 0.000000\n0.000000 0.000000 25.650955\nNb Se\n4 8\ndirect\n0.250180 0.000286 0.376630 Nb\n0.249893 -0.000286 0.623370 Nb\n0.749821 -0.000286 0.876630 Nb\n0.750108 0.000286 0.123370 Nb\n0.084156 0.668414 0.189044 Se\n0.415743 0.331587 0.810957 Se\n0.916364 0.332686 0.557984 Se\n0.416324 0.332686 0.942016 Se\n0.584259 0.668414 0.310956 Se\n0.083639 0.667315 0.057984 Se\n0.915846 0.331587 0.689044 Se\n0.583678 0.667315 0.442016 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Se"
],
"chemical_system": "Nb-Se",
"density": 6.150961146563751,
"density_atomic": 0.04430389719777338,
"volume": 270.85653314948314,
"volume_molar": 13.592801403264946,
"formula_full": "Nb4 Se8",
"formula_reduced": "NbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1622220444444444,
"spacegroup": 64
},
{
"id": "jvasp-66907",
"created_at": "2022-09-04T14:35:59.044625Z",
"updated_at": "2022-09-04T14:35:59.044654Z",
"structure_string": "Be2 Si1 Cl1\n1.0\n3.135391 0.000000 0.000000\n0.000000 3.135391 0.000000\n0.000000 0.000000 6.219792\nBe Si Cl\n2 1 1\ndirect\n0.000000 0.000000 0.013830 Be\n0.500000 0.500000 0.228577 Be\n0.500000 0.500000 0.871423 Si\n0.000000 0.000000 0.386170 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Cl"
],
"chemical_system": "Be-Cl-Si",
"density": 2.215043647743822,
"density_atomic": 0.06541852007976046,
"volume": 61.14476443556145,
"volume_molar": 9.205559454199825,
"formula_full": "Be2 Si1 Cl1",
"formula_reduced": "Be2SiCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7900237168749995,
"spacegroup": 99
},
{
"id": "jvasp-21532",
"created_at": "2022-09-04T14:35:59.051662Z",
"updated_at": "2022-09-04T14:35:59.051684Z",
"structure_string": "Zr4 P8 O28\n1.0\n8.508759 -0.000000 -0.000000\n-0.000000 8.508759 -0.000000\n-0.000000 -0.000000 8.508759\nZr P O\n4 8 28\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.392586 0.392586 0.392586 P\n0.107414 0.607414 0.892586 P\n0.892586 0.107414 0.607414 P\n0.607414 0.892586 0.107414 P\n0.892586 0.392586 0.107414 P\n0.107414 0.892586 0.392586 P\n0.392586 0.107414 0.892586 P\n0.607414 0.607414 0.607414 P\n0.078783 0.557072 0.723772 O\n0.276228 0.578783 0.942929 O\n0.921217 0.057072 0.776228 O\n0.776228 0.921217 0.057072 O\n0.578783 0.942929 0.276228 O\n0.578783 0.557072 0.776228 O\n0.942929 0.276228 0.578783 O\n0.557072 0.723772 0.078783 O\n0.057072 0.776228 0.921217 O\n0.557072 0.776228 0.578783 O\n0.223772 0.421217 0.442928 O\n0.723772 0.078783 0.557072 O\n0.421217 0.442928 0.223772 O\n0.276228 0.921217 0.442928 O\n0.078783 0.942929 0.223772 O\n0.223772 0.078783 0.942929 O\n0.921217 0.442928 0.276228 O\n0.421217 0.057072 0.723772 O\n0.776228 0.578783 0.557072 O\n0.057072 0.723772 0.421217 O\n0.442928 0.276228 0.921217 O\n0.942929 0.223772 0.078783 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.442928 0.223772 0.421217 O\n0.723772 0.421217 0.057072 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Zr",
"P",
"O"
],
"chemical_system": "O-P-Zr",
"density": 2.85910711117021,
"density_atomic": 0.0649323801198602,
"volume": 616.0254702840565,
"volume_molar": 9.274480234489465,
"formula_full": "Zr4 P8 O28",
"formula_reduced": "ZrP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.97821,
"spacegroup": 205
},
{
"id": "jvasp-75624",
"created_at": "2022-09-04T14:35:59.052128Z",
"updated_at": "2022-09-04T14:35:59.052153Z",
"structure_string": "Zn2 Tc1 As1\n1.0\n0.000000 3.131669 3.131669\n3.131669 0.000000 3.131669\n3.131669 3.131669 0.000000\nZn Tc As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Tc\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Tc",
"As"
],
"chemical_system": "As-Tc-Zn",
"density": 8.210941511975143,
"density_atomic": 0.06511820727271586,
"volume": 61.42675247873379,
"volume_molar": 9.248013746415346,
"formula_full": "Zn2 Tc1 As1",
"formula_reduced": "Zn2TcAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2413410125,
"spacegroup": 216
},
{
"id": "jvasp-71333",
"created_at": "2022-09-04T14:35:59.053069Z",
"updated_at": "2022-09-04T14:35:59.053096Z",
"structure_string": "Na1 Be2 Tc1\n1.0\n3.034120 0.000000 0.000000\n0.000000 3.034120 -0.000000\n0.000000 0.000000 6.288005\nNa Be Tc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.660850 Be\n0.000000 0.000000 0.339151 Be\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Tc"
],
"chemical_system": "Be-Na-Tc",
"density": 3.9877660254376712,
"density_atomic": 0.06910056629439262,
"volume": 57.88664571804808,
"volume_molar": 8.715038215958419,
"formula_full": "Na1 Be2 Tc1",
"formula_reduced": "NaBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.154950675,
"spacegroup": 123
},
{
"id": "jvasp-74153",
"created_at": "2022-09-04T14:35:59.054338Z",
"updated_at": "2022-09-04T14:35:59.054355Z",
"structure_string": "Be1 Cr1 Tc2\n1.0\n3.000694 0.000000 -0.000000\n0.000000 3.000694 0.000000\n0.000000 0.000000 5.462524\nBe Cr Tc\n1 1 2\ndirect\n0.000000 0.000000 0.509619 Be\n0.499999 0.499999 0.724523 Cr\n0.000000 0.000000 0.973062 Tc\n0.499999 0.499999 0.292793 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Tc"
],
"chemical_system": "Be-Cr-Tc",
"density": 8.67679702402594,
"density_atomic": 0.08132483924030245,
"volume": 49.18546458088422,
"volume_molar": 7.405044776301979,
"formula_full": "Be1 Cr1 Tc2",
"formula_reduced": "BeCrTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.379744125,
"spacegroup": 99
},
{
"id": "jvasp-70964",
"created_at": "2022-09-04T14:35:59.054952Z",
"updated_at": "2022-09-04T14:35:59.054984Z",
"structure_string": "Hf1 Be1 P2\n1.0\n3.559677 0.000000 -0.000000\n0.000000 3.559677 0.000000\n-0.000000 0.000000 5.304508\nHf Be P\n1 1 2\ndirect\n0.500000 0.500000 0.805651 Hf\n0.000000 0.000000 0.468147 Be\n0.000000 0.000000 0.886842 P\n0.500000 0.500000 0.339361 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"P"
],
"chemical_system": "Be-Hf-P",
"density": 6.16262583350622,
"density_atomic": 0.05951051348749549,
"volume": 67.21501404689594,
"volume_molar": 10.119456894394617,
"formula_full": "Hf1 Be1 P2",
"formula_reduced": "HfBeP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.187220025,
"spacegroup": 99
},
{
"id": "jvasp-98192",
"created_at": "2022-09-04T14:35:59.061733Z",
"updated_at": "2022-09-04T14:35:59.061755Z",
"structure_string": "Ba2 Yb1 Sb1 O6\n1.0\n5.694782 0.000000 3.287884\n1.898261 5.369092 3.287884\n0.000000 0.000000 6.575767\nYb Ba Sb O\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 -0.000000 -0.000000 O\n-0.000000 -0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Yb",
"density": 5.495920250044642,
"density_atomic": 0.04973654740149065,
"volume": 201.05939238758438,
"volume_molar": 12.108079620781055,
"formula_full": "Ba2 Yb1 Sb1 O6",
"formula_reduced": "Ba2YbSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6887069739999998,
"spacegroup": 225
},
{
"id": "jvasp-65307",
"created_at": "2022-09-04T14:35:59.067368Z",
"updated_at": "2022-09-04T14:35:59.067383Z",
"structure_string": "Be1 Tc1 Pb4\n1.0\n-0.000000 4.433581 4.433581\n4.433581 0.000000 4.433581\n4.433581 4.433581 -0.000000\nBe Tc Pb\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tc\n0.125956 0.624681 0.624681 Pb\n0.624681 0.624681 0.624681 Pb\n0.624681 0.125956 0.624681 Pb\n0.624681 0.624681 0.125956 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Pb"
],
"chemical_system": "Be-Pb-Tc",
"density": 8.91546202111641,
"density_atomic": 0.034423681343026986,
"volume": 174.29861554349375,
"volume_molar": 17.49417995126739,
"formula_full": "Be1 Tc1 Pb4",
"formula_reduced": "BeTcPb4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7448068133333332,
"spacegroup": 216
},
{
"id": "jvasp-66463",
"created_at": "2022-09-04T14:35:59.067627Z",
"updated_at": "2022-09-04T14:35:59.067661Z",
"structure_string": "Ba1 Cr1 Te1\n1.0\n0.000000 3.959473 3.959473\n3.959473 -0.000000 3.959473\n3.959473 3.959473 0.000000\nBa Cr Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Te"
],
"chemical_system": "Ba-Cr-Te",
"density": 4.23897484808745,
"density_atomic": 0.024164571678843293,
"volume": 124.14869337934832,
"volume_molar": 24.921363556683858,
"formula_full": "Ba1 Cr1 Te1",
"formula_reduced": "BaCrTe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6604603788888883,
"spacegroup": 216
},
{
"id": "jvasp-68824",
"created_at": "2022-09-04T14:35:59.068418Z",
"updated_at": "2022-09-04T14:35:59.068442Z",
"structure_string": "Mn1 Be2 Bi1\n1.0\n3.033138 0.000000 0.000000\n-0.000000 3.033138 0.000000\n-0.000000 -0.000000 6.675877\nMn Be Bi\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.649157 Be\n0.000000 0.000000 0.350843 Be\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Mn",
"density": 7.622851392513434,
"density_atomic": 0.0651279374806002,
"volume": 61.417575233232114,
"volume_molar": 9.24663207981034,
"formula_full": "Mn1 Be2 Bi1",
"formula_reduced": "MnBe2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3174609353448274,
"spacegroup": 123
}
]
}