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=598",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=596",
"results": [
{
"id": "jvasp-37204",
"created_at": "2022-09-04T14:38:07.377976Z",
"updated_at": "2022-09-04T14:38:07.378007Z",
"structure_string": "Mg3 Pb1\n1.0\n-2.285093 2.285093 4.605935\n2.285093 -2.285093 4.605935\n2.285093 2.285093 -4.605935\nMg Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 4.835038172151726,
"density_atomic": 0.04157903784193366,
"volume": 96.20232231458431,
"volume_molar": 14.483598160432892,
"formula_full": "Mg3 Pb1",
"formula_reduced": "Mg3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.086892582,
"spacegroup": 139
},
{
"id": "jvasp-99318",
"created_at": "2022-09-04T14:36:32.820433Z",
"updated_at": "2022-09-04T14:36:32.820455Z",
"structure_string": "Er4 Pt4 F28\n1.0\n5.375335 0.000000 0.000000\n0.000000 8.304495 -2.592377\n0.000000 0.054789 11.046861\nEr Pt F\n4 4 28\ndirect\n0.236795 0.423128 0.236705 Er\n0.736795 0.076872 0.263295 Er\n0.263204 0.923127 0.736705 Er\n0.763204 0.576872 0.763295 Er\n0.259595 0.270896 0.541668 Pt\n0.759594 0.229104 0.958332 Pt\n0.740405 0.729104 0.458332 Pt\n0.240405 0.770896 0.041668 Pt\n0.900642 0.304079 0.269174 F\n0.953528 0.350286 0.635668 F\n0.099357 0.695920 0.730825 F\n0.599356 0.804079 0.769174 F\n0.559591 0.575357 0.321156 F\n0.059591 0.924642 0.178843 F\n0.440408 0.424642 0.678843 F\n0.940408 0.075358 0.821156 F\n0.453529 0.149714 0.864331 F\n0.400643 0.195920 0.230826 F\n0.571427 0.386406 0.089917 F\n0.246709 0.432132 0.449936 F\n0.071428 0.113594 0.410083 F\n0.428572 0.613593 0.910083 F\n0.928571 0.886406 0.589917 F\n0.575998 0.192822 0.456826 F\n0.075998 0.307178 0.043174 F\n0.424001 0.807178 0.543174 F\n0.046471 0.649713 0.364331 F\n0.924001 0.692822 0.956825 F\n0.709137 0.886202 0.363149 F\n0.790862 0.386202 0.863149 F\n0.290862 0.113798 0.636850 F\n0.253291 0.932132 0.949936 F\n0.753290 0.567867 0.550063 F\n0.746708 0.067868 0.050064 F\n0.209137 0.613798 0.136850 F\n0.546471 0.850286 0.135668 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Er",
"Pt",
"F"
],
"chemical_system": "Er-F-Pt",
"density": 6.661557671912634,
"density_atomic": 0.07289084319384802,
"volume": 493.889196812562,
"volume_molar": 8.261861841801643,
"formula_full": "Er4 Pt4 F28",
"formula_reduced": "ErPtF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.086923708611111,
"spacegroup": 14
},
{
"id": "jvasp-115933",
"created_at": "2022-09-04T14:38:41.221304Z",
"updated_at": "2022-09-04T14:38:41.221332Z",
"structure_string": "Mg1 Co1 F3\n1.0\n3.894617 0.000000 0.000000\n0.000000 3.894617 0.000000\n-0.000000 -0.000000 3.894617\nMg Co F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Co",
"F"
],
"chemical_system": "Co-F-Mg",
"density": 3.941906418362088,
"density_atomic": 0.08464001637141863,
"volume": 59.07371258127979,
"volume_molar": 7.115004247604997,
"formula_full": "Mg1 Co1 F3",
"formula_reduced": "MgCoF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0869734975,
"spacegroup": 221
},
{
"id": "jvasp-78513",
"created_at": "2022-09-04T14:37:11.328357Z",
"updated_at": "2022-09-04T14:37:11.328388Z",
"structure_string": "Mg1 F2\n1.0\n0.000000 2.809567 0.000000\n0.000000 -1.404784 3.475985\n3.195940 0.000000 0.000000\nMg F\n1 2\ndirect\n0.012182 0.024363 0.500000 Mg\n0.563735 0.127468 0.000000 F\n0.299086 0.598169 0.500000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"F"
],
"chemical_system": "F-Mg",
"density": 3.314620653744101,
"density_atomic": 0.09611813831652401,
"volume": 31.211590783425105,
"volume_molar": 6.265353101376823,
"formula_full": "Mg1 F2",
"formula_reduced": "MgF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0870633333333332,
"spacegroup": 38
},
{
"id": "jvasp-113062",
"created_at": "2022-09-04T14:38:46.428733Z",
"updated_at": "2022-09-04T14:38:46.428759Z",
"structure_string": "Rb2 Co2 Ni2 F12\n1.0\n6.132339 0.022148 -3.502013\n-2.014935 5.782891 -3.516871\n-0.064440 -0.022148 7.061552\nRb Co Ni F\n2 2 2 12\ndirect\n0.377615 0.627614 0.750000 Rb\n0.622386 0.372386 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.085180 0.934438 0.769303 F\n0.665136 0.315876 0.730697 F\n0.085707 0.335706 0.750000 F\n0.685393 0.935392 0.750000 F\n0.914821 0.684123 0.849259 F\n0.334865 0.684123 0.269303 F\n0.914821 0.065562 0.230698 F\n0.665136 0.934438 0.349259 F\n0.914294 0.664294 0.250001 F\n0.314608 0.064608 0.250000 F\n0.334865 0.065562 0.650741 F\n0.085179 0.315876 0.150741 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Co",
"Ni",
"F"
],
"chemical_system": "Co-F-Ni-Rb",
"density": 4.232527209846038,
"density_atomic": 0.07234653362762075,
"volume": 248.80252166121596,
"volume_molar": 8.324021149371065,
"formula_full": "Rb2 Co2 Ni2 F12",
"formula_reduced": "RbCoNiF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0870861105555554,
"spacegroup": 74
},
{
"id": "jvasp-15102",
"created_at": "2022-09-04T14:36:42.779968Z",
"updated_at": "2022-09-04T14:36:42.779988Z",
"structure_string": "Li1 Ag2 Sn1\n1.0\n4.083012 -0.000000 2.357328\n1.361004 3.849500 2.357328\n-0.000000 0.000000 4.714656\nLi Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.749999 0.750000 0.750002 Ag\n0.250000 0.250000 0.250001 Ag\n0.499999 0.500000 0.500001 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Sn"
],
"chemical_system": "Ag-Li-Sn",
"density": 7.65000281282014,
"density_atomic": 0.053979020630661144,
"volume": 74.10286354339526,
"volume_molar": 11.156446874434966,
"formula_full": "Li1 Ag2 Sn1",
"formula_reduced": "LiAg2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.087096555,
"spacegroup": 225
},
{
"id": "jvasp-40898",
"created_at": "2022-09-04T14:37:36.285012Z",
"updated_at": "2022-09-04T14:37:36.285036Z",
"structure_string": "Er2 Mg2 Sn2\n1.0\n4.352634 -0.000000 0.000000\n-0.000000 4.352634 0.000000\n-2.176318 -2.176318 7.874905\nEr Mg Sn\n2 2 2\ndirect\n0.666897 0.666897 0.333798 Er\n0.333101 0.333101 0.666202 Er\n0.499999 -0.000000 -0.000000 Mg\n-0.000000 0.499999 -0.000000 Mg\n0.137501 0.137501 0.275003 Sn\n0.862496 0.862496 0.724997 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Sn"
],
"chemical_system": "Er-Mg-Sn",
"density": 6.9067677750669905,
"density_atomic": 0.040216255070478935,
"volume": 149.1934042462434,
"volume_molar": 14.974394680574324,
"formula_full": "Er2 Mg2 Sn2",
"formula_reduced": "ErMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0871302499999999,
"spacegroup": 139
},
{
"id": "jvasp-93461",
"created_at": "2022-09-04T14:36:07.424872Z",
"updated_at": "2022-09-04T14:36:07.424901Z",
"structure_string": "Ho2 I2 O2\n1.0\n1.947101 1.124159 10.639053\n-1.947101 1.124159 10.639053\n0.000000 -2.248318 10.639053\nHo I O\n2 2 2\ndirect\n0.377067 0.377067 0.377068 Ho\n0.622932 0.622932 0.622932 Ho\n0.111508 0.111508 0.111508 I\n0.888492 0.888492 0.888492 I\n0.306555 0.306555 0.306555 O\n0.693444 0.693444 0.693445 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"I",
"O"
],
"chemical_system": "Ho-I-O",
"density": 7.316872754070496,
"density_atomic": 0.042941855480622904,
"volume": 139.72381800566214,
"volume_molar": 14.023941659245331,
"formula_full": "Ho2 I2 O2",
"formula_reduced": "HoIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0872217805555557,
"spacegroup": 166
},
{
"id": "jvasp-115980",
"created_at": "2022-09-04T14:38:40.223855Z",
"updated_at": "2022-09-04T14:38:40.223894Z",
"structure_string": "Cu2 I2\n1.0\n4.041752 0.000000 -0.000000\n0.000000 4.041752 0.000000\n0.000000 -0.000000 5.771779\nCu I\n2 2\ndirect\n-0.000000 0.000000 0.250063 Cu\n0.500000 0.500000 0.749939 Cu\n-0.000000 0.000000 0.750028 I\n0.500000 0.500000 0.249972 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 6.708294563925018,
"density_atomic": 0.04242393745466742,
"volume": 94.28639206990736,
"volume_molar": 14.195148119938247,
"formula_full": "Cu2 I2",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.08723,
"spacegroup": 225
},
{
"id": "jvasp-92251",
"created_at": "2022-09-04T14:35:52.164347Z",
"updated_at": "2022-09-04T14:35:52.164377Z",
"structure_string": "Li2 Bi1 F5\n1.0\n1.994541 4.400553 0.003758\n-3.549467 4.283856 0.001758\n-0.995345 -2.195753 4.998711\nLi Bi F\n2 1 5\ndirect\n0.232682 0.499255 0.498970 Li\n0.733054 0.500305 0.500787 Li\n0.024906 -0.000319 -0.000315 Bi\n0.921443 0.746789 0.624218 F\n0.297879 0.624594 0.253093 F\n0.668423 0.375741 0.747179 F\n0.044980 0.252697 0.375432 F\n0.576619 0.000953 0.000637 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Bi",
"F"
],
"chemical_system": "Bi-F-Li",
"density": 4.368060134010702,
"density_atomic": 0.06620659436550949,
"volume": 120.8338848519238,
"volume_molar": 9.09598328944896,
"formula_full": "Li2 Bi1 F5",
"formula_reduced": "Li2BiF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0873250353124999,
"spacegroup": 79
},
{
"id": "jvasp-18107",
"created_at": "2022-09-04T14:37:27.146160Z",
"updated_at": "2022-09-04T14:37:27.146186Z",
"structure_string": "Sm1 In1 Cu2\n1.0\n4.117317 -0.000000 2.377133\n1.372439 3.881843 2.377133\n-0.000000 -0.000000 4.754268\nSm In Cu\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Sm\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.750001 0.749999 0.749999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"In",
"Cu"
],
"chemical_system": "Cu-In-Sm",
"density": 8.572317767658646,
"density_atomic": 0.05264099141318927,
"volume": 75.98641082959912,
"volume_molar": 11.440021546575858,
"formula_full": "Sm1 In1 Cu2",
"formula_reduced": "SmInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.087381105625,
"spacegroup": 225
},
{
"id": "jvasp-78458",
"created_at": "2022-09-04T14:36:32.300645Z",
"updated_at": "2022-09-04T14:36:32.300670Z",
"structure_string": "Ag1 Br1\n1.0\n-0.000000 0.000000 3.565431\n3.566097 0.000000 -0.000000\n0.000000 3.566097 0.000000\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Br"
],
"chemical_system": "Ag-Br",
"density": 6.876731246722897,
"density_atomic": 0.0441094512933937,
"volume": 45.34175650241066,
"volume_molar": 13.652721998158112,
"formula_full": "Ag1 Br1",
"formula_reduced": "AgBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.087405,
"spacegroup": 221
}
]
}