HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=9",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=7",
"results": [
{
"id": "oqmd-1742352",
"created_at": "2022-09-04T16:02:38.307856Z",
"updated_at": "2022-09-04T16:02:38.307883Z",
"structure_string": "Ca2 Yb2 F8\n1.0\n-2.667560 2.667560 5.249883\n2.667560 -2.667560 5.249883\n2.667560 2.667560 -5.249883\nCa F Yb\n2 8 2\ndirect\n0.250000 0.250000 0.000000 Ca\n0.750000 0.750000 0.000000 Ca\n0.627316 0.127316 0.000379 F\n0.873063 0.373063 0.000379 F\n0.127316 0.126937 0.500000 F\n0.373063 0.372684 0.500000 F\n0.626937 0.627316 0.500000 F\n0.872684 0.873063 0.500000 F\n0.126937 0.626937 0.999621 F\n0.372684 0.872684 0.999621 F\n0.500000 0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"F",
"Yb"
],
"chemical_system": "Ca-F-Yb",
"density": 6.425495449421993,
"density_atomic": 0.08030512027055652,
"volume": 149.4300731954665,
"volume_molar": 7.499074454668351,
"formula_full": "Ca2 Yb2 F8",
"formula_reduced": "CaYbF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.37568249275407,
"spacegroup": 123
},
{
"id": "oqmd-1479427",
"created_at": "2022-09-04T15:52:36.007519Z",
"updated_at": "2022-09-04T15:52:36.007551Z",
"structure_string": "Lu4 F12\n1.0\n5.140410 0.000000 0.000000\n0.000000 5.140410 0.000000\n0.000000 0.000000 9.022521\nF Lu\n12 4\ndirect\n0.185570 0.185570 0.000000 F\n0.814430 0.814430 0.000000 F\n0.713163 0.286837 0.166817 F\n0.286837 0.713163 0.166817 F\n0.213163 0.213163 0.333183 F\n0.786837 0.786837 0.333183 F\n0.685570 0.314430 0.500000 F\n0.314430 0.685570 0.500000 F\n0.213163 0.213163 0.666817 F\n0.786837 0.786837 0.666817 F\n0.713163 0.286837 0.833183 F\n0.286837 0.713163 0.833183 F\n0.000000 0.000000 0.181011 Lu\n0.500000 0.500000 0.318989 Lu\n0.500000 0.500000 0.681011 Lu\n0.000000 0.000000 0.818989 Lu\n",
"nsites": 16,
"nelements": 2,
"elements": [
"F",
"Lu"
],
"chemical_system": "F-Lu",
"density": 6.462534948674131,
"density_atomic": 0.06711144062284242,
"volume": 238.40942544979657,
"volume_molar": 8.973344491058757,
"formula_full": "Lu4 F12",
"formula_reduced": "LuF3",
"formula_anonymous": "AB3",
"formation_energy": -4.3721862793483295,
"spacegroup": 136
},
{
"id": "oqmd-1604",
"created_at": "2022-09-04T15:17:07.741991Z",
"updated_at": "2022-09-04T15:17:07.742018Z",
"structure_string": "Ce6 F18\n1.0\n7.056814 -0.000034 -0.000062\n-3.528436 6.111431 0.000000\n-0.000063 -0.000036 7.232206\nCe F\n6 18\ndirect\n0.342386 0.342383 0.249999 Ce\n0.000000 0.657617 0.250000 Ce\n0.657613 0.000000 0.250001 Ce\n0.342387 0.000000 0.749998 Ce\n0.000000 0.342383 0.749999 Ce\n0.657614 0.657617 0.750002 Ce\n0.688558 0.633110 0.082332 F\n0.366881 0.055443 0.082332 F\n0.944549 0.311432 0.082340 F\n0.333333 0.666673 0.174381 F\n0.000000 0.000000 0.250000 F\n0.666668 0.333340 0.325619 F\n0.055452 0.366884 0.417660 F\n0.633119 0.688562 0.417668 F\n0.311442 0.944552 0.417668 F\n0.688557 0.055448 0.582332 F\n0.366882 0.311438 0.582332 F\n0.944548 0.633116 0.582341 F\n0.333333 0.666660 0.674382 F\n0.000000 0.000000 0.749999 F\n0.666667 0.333327 0.825618 F\n0.055452 0.688568 0.917660 F\n0.633118 0.944557 0.917667 F\n0.311443 0.366890 0.917667 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ce",
"F"
],
"chemical_system": "Ce-F",
"density": 6.296373865288452,
"density_atomic": 0.0769467140593426,
"volume": 311.9041572261396,
"volume_molar": 7.8263780768541,
"formula_full": "Ce6 F18",
"formula_reduced": "CeF3",
"formula_anonymous": "AB3",
"formation_energy": -4.37195159789,
"spacegroup": 165
},
{
"id": "oqmd-1442467",
"created_at": "2022-09-04T15:50:41.988934Z",
"updated_at": "2022-09-04T15:50:41.988953Z",
"structure_string": "Gd2 F6\n1.0\n1.948478 -3.388344 0.000000\n1.948478 3.388344 0.000000\n0.000000 0.000000 6.928624\nF Gd\n6 2\ndirect\n0.666614 0.333387 0.078609 F\n0.999641 0.000360 0.250001 F\n0.666614 0.333387 0.421391 F\n0.333387 0.666614 0.578608 F\n0.000360 0.999641 0.750000 F\n0.333387 0.666614 0.921392 F\n0.332236 0.667765 0.250001 Gd\n0.667765 0.332236 0.750000 Gd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Gd"
],
"chemical_system": "F-Gd",
"density": 7.7773245348183275,
"density_atomic": 0.08744399594932752,
"volume": 91.48712742537384,
"volume_molar": 6.886854488545721,
"formula_full": "Gd2 F6",
"formula_reduced": "GdF3",
"formula_anonymous": "AB3",
"formation_energy": -4.37115420622333,
"spacegroup": 194
},
{
"id": "oqmd-1343996",
"created_at": "2022-09-04T15:45:55.973569Z",
"updated_at": "2022-09-04T15:45:55.973597Z",
"structure_string": "Nd4 F12\n1.0\n6.248956 0.000000 0.000000\n0.000000 6.731066 0.000000\n0.000000 0.000000 4.293459\nF Nd\n12 4\ndirect\n0.979288 0.750000 0.088709 F\n0.666194 0.062143 0.121070 F\n0.666194 0.437857 0.121070 F\n0.166194 0.062143 0.378930 F\n0.166194 0.437857 0.378930 F\n0.479288 0.750000 0.411291 F\n0.520712 0.250000 0.588709 F\n0.833806 0.562143 0.621070 F\n0.833806 0.937857 0.621070 F\n0.333806 0.562143 0.878930 F\n0.333806 0.937857 0.878930 F\n0.020712 0.250000 0.911291 F\n0.369002 0.250000 0.062579 Nd\n0.869002 0.250000 0.437421 Nd\n0.130998 0.750000 0.562579 Nd\n0.630998 0.750000 0.937421 Nd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"F",
"Nd"
],
"chemical_system": "F-Nd",
"density": 7.401482894357226,
"density_atomic": 0.08859747544015803,
"volume": 180.59205322173074,
"volume_molar": 6.797192278991712,
"formula_full": "Nd4 F12",
"formula_reduced": "NdF3",
"formula_anonymous": "AB3",
"formation_energy": -4.37091172934833,
"spacegroup": 62
},
{
"id": "oqmd-1710706",
"created_at": "2022-09-04T16:00:14.377803Z",
"updated_at": "2022-09-04T16:00:14.377834Z",
"structure_string": "Lu2 F6\n1.0\n2.420646 1.397561 5.149939\n-2.420646 1.397561 5.149939\n0.000000 -2.795122 5.149939\nF Lu\n6 2\ndirect\n0.750000 0.428943 0.071057 F\n0.571057 0.928943 0.250000 F\n0.071057 0.750000 0.428943 F\n0.928943 0.250000 0.571057 F\n0.428943 0.071057 0.750000 F\n0.250000 0.571057 0.928943 F\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Lu"
],
"chemical_system": "F-Lu",
"density": 7.369549495496171,
"density_atomic": 0.07653050812290912,
"volume": 104.53347555398275,
"volume_molar": 7.868941298976289,
"formula_full": "Lu2 F6",
"formula_reduced": "LuF3",
"formula_anonymous": "AB3",
"formation_energy": -4.370783200598329,
"spacegroup": 167
},
{
"id": "oqmd-1343738",
"created_at": "2022-09-04T15:45:55.930035Z",
"updated_at": "2022-09-04T15:45:55.930070Z",
"structure_string": "Pr4 F12\n1.0\n6.585448 0.000000 0.000000\n0.000000 6.966149 0.000000\n0.000000 0.000000 4.341189\nF Pr\n12 4\ndirect\n0.517627 0.250000 0.075823 F\n0.833572 0.564380 0.106960 F\n0.833572 0.935620 0.106960 F\n0.333572 0.564380 0.393040 F\n0.333572 0.935620 0.393040 F\n0.017627 0.250000 0.424177 F\n0.982373 0.750000 0.575823 F\n0.666428 0.064380 0.606960 F\n0.666428 0.435620 0.606960 F\n0.166428 0.064380 0.893040 F\n0.166428 0.435620 0.893040 F\n0.482373 0.750000 0.924177 F\n0.131902 0.750000 0.065234 Pr\n0.631902 0.750000 0.434766 Pr\n0.368098 0.250000 0.565234 Pr\n0.868098 0.250000 0.934766 Pr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"F",
"Pr"
],
"chemical_system": "F-Pr",
"density": 6.60046268641167,
"density_atomic": 0.08034025475483367,
"volume": 199.1529657059914,
"volume_molar": 7.495794951580831,
"formula_full": "Pr4 F12",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"formation_energy": -4.37035588684833,
"spacegroup": 62
},
{
"id": "oqmd-1736514",
"created_at": "2022-09-04T16:02:20.171438Z",
"updated_at": "2022-09-04T16:02:20.171473Z",
"structure_string": "Yb4 F8\n1.0\n4.478206 0.000000 0.000000\n0.000000 4.478206 0.000000\n0.000000 0.000000 7.227045\nF Yb\n8 4\ndirect\n0.875181 0.249901 0.035979 F\n0.624819 0.749901 0.214021 F\n0.250099 0.375181 0.285979 F\n0.750099 0.124819 0.464021 F\n0.124819 0.750099 0.535979 F\n0.375181 0.250099 0.714021 F\n0.749901 0.624819 0.785979 F\n0.249901 0.875181 0.964021 F\n0.430846 0.430846 0.000000 Yb\n0.069154 0.930846 0.250000 Yb\n0.569154 0.569154 0.500000 Yb\n0.930846 0.069154 0.750000 Yb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"F",
"Yb"
],
"chemical_system": "F-Yb",
"density": 9.671601657457542,
"density_atomic": 0.08279657122785157,
"volume": 144.93353797196102,
"volume_molar": 7.273418054266284,
"formula_full": "Yb4 F8",
"formula_reduced": "YbF2",
"formula_anonymous": "AB2",
"formation_energy": -4.369888963587404,
"spacegroup": 92
},
{
"id": "oqmd-1753930",
"created_at": "2022-09-04T16:02:46.514428Z",
"updated_at": "2022-09-04T16:02:46.514455Z",
"structure_string": "Sr1 Er2 F8\n1.0\n3.356920 -5.008624 0.000000\n3.356920 5.008624 0.000000\n-0.815840 0.000000 4.013464\nEr F Sr\n2 8 1\ndirect\n0.677398 0.322602 0.500000 Er\n0.322602 0.677398 0.500000 Er\n0.751583 0.248417 0.000000 F\n0.248417 0.751583 0.000000 F\n0.379924 0.379924 0.198963 F\n0.944601 0.676956 0.424099 F\n0.676956 0.944601 0.424099 F\n0.323044 0.055399 0.575901 F\n0.055399 0.323044 0.575901 F\n0.620076 0.620076 0.801037 F\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Er",
"F",
"Sr"
],
"chemical_system": "Er-F-Sr",
"density": 7.0639389523876135,
"density_atomic": 0.0815049332272863,
"volume": 134.96115590114255,
"volume_molar": 7.388682526990774,
"formula_full": "Sr1 Er2 F8",
"formula_reduced": "SrEr2F8",
"formula_anonymous": "AB2C8",
"formation_energy": -4.369296711186259,
"spacegroup": 12
},
{
"id": "oqmd-1364131",
"created_at": "2022-09-04T15:48:52.191992Z",
"updated_at": "2022-09-04T15:48:52.192028Z",
"structure_string": "Ba1 Ho2 F8\n1.0\n3.404054 -5.126069 0.000000\n3.404054 5.126069 0.000000\n-0.737493 0.000000 4.095205\nBa F Ho\n1 8 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.742129 0.257869 0.000000 F\n0.257869 0.742129 0.000000 F\n0.390543 0.390543 0.209313 F\n0.948575 0.674199 0.432218 F\n0.674199 0.948575 0.432218 F\n0.325801 0.051425 0.567781 F\n0.051425 0.325801 0.567781 F\n0.609457 0.609457 0.790688 F\n0.675918 0.324083 0.499999 Ho\n0.324083 0.675918 0.499999 Ho\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"F",
"Ho"
],
"chemical_system": "Ba-F-Ho",
"density": 7.19409030280768,
"density_atomic": 0.07696728267274441,
"volume": 142.91786871014625,
"volume_molar": 7.824286568106367,
"formula_full": "Ba1 Ho2 F8",
"formula_reduced": "BaHo2F8",
"formula_anonymous": "AB2C8",
"formation_energy": -4.36809789179232,
"spacegroup": 12
},
{
"id": "oqmd-1473414",
"created_at": "2022-09-04T15:52:12.587108Z",
"updated_at": "2022-09-04T15:52:12.587126Z",
"structure_string": "Pr2 F6\n1.0\n1.895323 -3.846182 0.000000\n1.895323 3.846182 0.000000\n0.000000 0.000000 7.135624\nF Pr\n6 2\ndirect\n0.654651 0.345347 0.071919 F\n0.960335 0.039664 0.250001 F\n0.654651 0.345347 0.428080 F\n0.345347 0.654651 0.571919 F\n0.039664 0.960335 0.750000 F\n0.345347 0.654651 0.928080 F\n0.267629 0.732370 0.250001 Pr\n0.732370 0.267629 0.750000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Pr"
],
"chemical_system": "F-Pr",
"density": 6.317658487271872,
"density_atomic": 0.07689798676786318,
"volume": 104.0339329578303,
"volume_molar": 7.831337351105715,
"formula_full": "Pr2 F6",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"formation_energy": -4.367369137473329,
"spacegroup": 63
},
{
"id": "oqmd-1749418",
"created_at": "2022-09-04T16:03:07.035147Z",
"updated_at": "2022-09-04T16:03:07.035173Z",
"structure_string": "Ce4 F12\n1.0\n6.858888 0.000000 0.000000\n0.000000 7.174711 0.000000\n0.000000 0.000000 4.350955\nCe F\n4 12\ndirect\n0.863463 0.250000 0.056807 Ce\n0.363463 0.250000 0.443193 Ce\n0.636537 0.750000 0.556807 Ce\n0.136537 0.750000 0.943193 Ce\n0.483653 0.750000 0.061911 F\n0.168347 0.070121 0.083541 F\n0.168347 0.429879 0.083541 F\n0.668347 0.070121 0.416459 F\n0.668347 0.429879 0.416459 F\n0.983653 0.750000 0.438089 F\n0.016347 0.250000 0.561911 F\n0.331653 0.570121 0.583541 F\n0.331653 0.929879 0.583541 F\n0.831653 0.570121 0.916459 F\n0.831653 0.929879 0.916459 F\n0.516347 0.250000 0.938089 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ce",
"F"
],
"chemical_system": "Ce-F",
"density": 6.114735794577112,
"density_atomic": 0.07472695186155325,
"volume": 214.11284150386902,
"volume_molar": 8.058860437874184,
"formula_full": "Ce4 F12",
"formula_reduced": "CeF3",
"formula_anonymous": "AB3",
"formation_energy": -4.367334317473329,
"spacegroup": 62
}
]
}