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=47",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=45",
"results": [
{
"id": "oqmd-1016703",
"created_at": "2022-09-04T15:27:43.256009Z",
"updated_at": "2022-09-04T15:27:43.256023Z",
"structure_string": "Ac4 O4 F4\n1.0\n8.363839 0.000000 0.000000\n0.000000 4.159708 0.000000\n0.000000 0.000000 5.926821\nAc F O\n4 4 4\ndirect\n0.127474 0.250001 0.217891 Ac\n0.627473 0.250001 0.282107 Ac\n0.372526 0.750000 0.717892 Ac\n0.872528 0.750000 0.782109 Ac\n0.608162 0.750000 0.009614 F\n0.108162 0.750000 0.490388 F\n0.891838 0.250001 0.509614 F\n0.391838 0.250001 0.990386 F\n0.863377 0.250001 0.012190 O\n0.363379 0.250001 0.487810 O\n0.636621 0.750000 0.512189 O\n0.136621 0.750000 0.987811 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ac",
"F",
"O"
],
"chemical_system": "Ac-F-O",
"density": 8.439494178777105,
"density_atomic": 0.05819570387759645,
"volume": 206.20078803823233,
"volume_molar": 10.348084753242995,
"formula_full": "Ac4 O4 F4",
"formula_reduced": "AcOF",
"formula_anonymous": "ABC",
"formation_energy": -4.09312988666995,
"spacegroup": 62
},
{
"id": "oqmd-300023",
"created_at": "2022-09-04T14:49:45.686721Z",
"updated_at": "2022-09-04T14:49:45.686740Z",
"structure_string": "Y1 F3\n1.0\n-1.779817 1.779817 3.232060\n1.779817 -1.779817 3.232060\n1.779817 1.779817 -3.232060\nF Y\n3 1\ndirect\n0.500000 0.500000 0.000000 F\n0.750001 0.250000 0.500001 F\n0.250000 0.750001 0.500001 F\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Y"
],
"chemical_system": "F-Y",
"density": 5.915853851209768,
"density_atomic": 0.09767195582419182,
"volume": 40.95341355915863,
"volume_molar": 6.165680526393647,
"formula_full": "Y1 F3",
"formula_reduced": "YF3",
"formula_anonymous": "AB3",
"formation_energy": -4.09267604809833,
"spacegroup": 139
},
{
"id": "oqmd-321231",
"created_at": "2022-09-04T14:50:52.754533Z",
"updated_at": "2022-09-04T14:50:52.754560Z",
"structure_string": "Gd2 F6\n1.0\n5.045071 0.000000 0.000000\n-2.522535 4.369159 0.000000\n0.000000 0.000000 3.923722\nF Gd\n6 2\ndirect\n0.177960 0.355920 0.250000 F\n0.177962 0.822041 0.250000 F\n0.644080 0.822041 0.250000 F\n0.355920 0.177961 0.750002 F\n0.822041 0.177961 0.750002 F\n0.822041 0.644080 0.750002 F\n0.666667 0.333332 0.250000 Gd\n0.333333 0.666666 0.750002 Gd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Gd"
],
"chemical_system": "F-Gd",
"density": 8.226722565586984,
"density_atomic": 0.09249678234215972,
"volume": 86.4894950659665,
"volume_molar": 6.510648919357196,
"formula_full": "Gd2 F6",
"formula_reduced": "GdF3",
"formula_anonymous": "AB3",
"formation_energy": -4.09205622497333,
"spacegroup": 194
},
{
"id": "oqmd-1347824",
"created_at": "2022-09-04T15:46:05.778151Z",
"updated_at": "2022-09-04T15:46:05.778180Z",
"structure_string": "Ho2 O2 F2\n1.0\n3.785343 0.000000 0.000000\n0.000000 3.785343 0.000000\n0.000000 0.000000 5.479460\nF Ho O\n2 2 2\ndirect\n0.000000 0.500000 0.396245 F\n0.500000 0.000000 0.603755 F\n0.500000 0.000000 0.200881 Ho\n0.000000 0.500000 0.799119 Ho\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"Ho",
"O"
],
"chemical_system": "F-Ho-O",
"density": 8.456774395725041,
"density_atomic": 0.07641929257737322,
"volume": 78.5142049558376,
"volume_molar": 7.880393231725726,
"formula_full": "Ho2 O2 F2",
"formula_reduced": "HoOF",
"formula_anonymous": "ABC",
"formation_energy": -4.09179953278106,
"spacegroup": 129
},
{
"id": "oqmd-1021501",
"created_at": "2022-09-04T15:28:09.540663Z",
"updated_at": "2022-09-04T15:28:09.540690Z",
"structure_string": "Lu4 O4 F4\n1.0\n5.389081 0.000000 0.467002\n0.000000 5.518018 0.000000\n-0.429215 0.000000 4.558715\nF Lu O\n4 4 4\ndirect\n0.552437 0.251212 0.000000 F\n0.447565 0.748789 0.000000 F\n0.552438 0.248790 0.499922 F\n0.447563 0.751212 0.500079 F\n0.234317 0.036239 0.249119 Lu\n0.765682 0.536240 0.250883 Lu\n0.234319 0.463759 0.749117 Lu\n0.765681 0.963759 0.750882 Lu\n0.870248 0.909430 0.249490 O\n0.129754 0.409428 0.250510 O\n0.870247 0.590571 0.749490 O\n0.129751 0.090571 0.750509 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"Lu",
"O"
],
"chemical_system": "F-Lu-O",
"density": 10.204372274972338,
"density_atomic": 0.08780352510324176,
"volume": 136.6687725337915,
"volume_molar": 6.858654880790952,
"formula_full": "Lu4 O4 F4",
"formula_reduced": "LuOF",
"formula_anonymous": "ABC",
"formation_energy": -4.09153574666995,
"spacegroup": 57
},
{
"id": "oqmd-1016672",
"created_at": "2022-09-04T15:27:43.705290Z",
"updated_at": "2022-09-04T15:27:43.705309Z",
"structure_string": "Pm2 O2 F2\n1.0\n3.901326 0.000000 0.000000\n-1.950662 -3.378648 -0.000000\n-1.950662 -1.126216 -6.479942\nF O Pm\n2 2 2\ndirect\n0.370284 0.629715 0.110853 F\n0.629715 0.370284 0.889147 F\n0.122344 0.877658 0.367028 O\n0.877657 0.122344 0.632972 O\n0.758356 0.241645 0.275069 Pm\n0.241645 0.758357 0.724932 Pm\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Pm"
],
"chemical_system": "F-O-Pm",
"density": 6.998742086440768,
"density_atomic": 0.07024654065674893,
"volume": 85.41345871134439,
"volume_molar": 8.572864519302735,
"formula_full": "Pm2 O2 F2",
"formula_reduced": "PmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.09142172750329,
"spacegroup": 166
},
{
"id": "oqmd-1443907",
"created_at": "2022-09-04T15:50:35.694875Z",
"updated_at": "2022-09-04T15:50:35.694904Z",
"structure_string": "Er1 F3\n1.0\n-1.992173 2.002452 2.489818\n1.992173 -2.002452 2.489818\n1.992173 2.002452 -2.489818\nEr F\n1 3\ndirect\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.000000 F\n0.250629 0.750628 0.499999 F\n0.749371 0.249372 0.499999 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"F"
],
"chemical_system": "Er-F",
"density": 9.372877556617347,
"density_atomic": 0.10068000612765425,
"volume": 39.72983468960379,
"volume_molar": 5.981466421808124,
"formula_full": "Er1 F3",
"formula_reduced": "ErF3",
"formula_anonymous": "AB3",
"formation_energy": -4.09095183184833,
"spacegroup": 139
},
{
"id": "oqmd-1021449",
"created_at": "2022-09-04T15:28:10.065685Z",
"updated_at": "2022-09-04T15:28:10.065711Z",
"structure_string": "Y4 O4 F4\n1.0\n-4.360264 0.000000 3.663003\n4.360264 0.000000 3.663003\n0.000000 5.332149 -3.663003\nF O Y\n4 4 4\ndirect\n0.500000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.499999 F\n0.499999 0.000000 0.499999 F\n0.008356 0.758357 0.016714 O\n0.741643 0.491642 0.483285 O\n0.258357 0.508358 0.516715 O\n0.991643 0.241643 0.983287 O\n0.324874 0.175126 0.250001 Y\n0.925126 0.574874 0.250001 Y\n0.074874 0.425126 0.750000 Y\n0.675126 0.824873 0.750000 Y\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"O",
"Y"
],
"chemical_system": "F-O-Y",
"density": 4.83182134768143,
"density_atomic": 0.07045290645142839,
"volume": 170.3265429975275,
"volume_molar": 8.54775347579419,
"formula_full": "Y4 O4 F4",
"formula_reduced": "YOF",
"formula_anonymous": "ABC",
"formation_energy": -4.09013337333662,
"spacegroup": 70
},
{
"id": "oqmd-314162",
"created_at": "2022-09-04T14:50:39.266115Z",
"updated_at": "2022-09-04T14:50:39.266126Z",
"structure_string": "Er1 F3\n1.0\n0.000000 2.713452 2.713452\n2.713452 0.000000 2.713452\n2.713452 2.713452 0.000000\nEr F\n1 3\ndirect\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 F\n0.250001 0.250001 0.250001 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"F"
],
"chemical_system": "Er-F",
"density": 9.319514225165385,
"density_atomic": 0.10010679683252349,
"volume": 39.95732684057321,
"volume_molar": 6.015716165681448,
"formula_full": "Er1 F3",
"formula_reduced": "ErF3",
"formula_anonymous": "AB3",
"formation_energy": -4.08998363434833,
"spacegroup": 225
},
{
"id": "oqmd-1370894",
"created_at": "2022-09-04T15:49:42.083294Z",
"updated_at": "2022-09-04T15:49:42.083314Z",
"structure_string": "Rb1 Nd2 F7\n1.0\n3.582566 -5.704027 0.000000\n3.582566 5.704027 0.000000\n0.000000 0.000000 4.429976\nF Nd Rb\n7 2 1\ndirect\n0.730984 0.269017 0.000000 F\n0.269017 0.730984 0.000000 F\n0.326525 0.053471 0.500000 F\n0.053471 0.326525 0.500000 F\n0.500001 0.500001 0.500000 F\n0.946529 0.673475 0.500000 F\n0.673475 0.946529 0.500000 F\n0.696578 0.303423 0.500000 Nd\n0.303423 0.696578 0.500000 Nd\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"F",
"Nd",
"Rb"
],
"chemical_system": "F-Nd-Rb",
"density": 4.649422892060872,
"density_atomic": 0.05523226563670403,
"volume": 181.05359040992522,
"volume_molar": 10.903302065519556,
"formula_full": "Rb1 Nd2 F7",
"formula_reduced": "RbNd2F7",
"formula_anonymous": "AB2C7",
"formation_energy": -4.08980741839177,
"spacegroup": 65
},
{
"id": "oqmd-1025778",
"created_at": "2022-09-04T15:28:39.138752Z",
"updated_at": "2022-09-04T15:28:39.138778Z",
"structure_string": "Pm2 O2 F2\n1.0\n1.946842 3.372031 0.000000\n1.946843 -3.372031 0.000000\n0.000000 2.248020 -6.480550\nF O Pm\n2 2 2\ndirect\n0.630031 0.369967 0.109904 F\n0.369967 0.630031 0.890096 F\n0.877868 0.122131 0.366393 O\n0.122130 0.877869 0.633608 O\n0.241622 0.758377 0.275133 Pm\n0.758377 0.241622 0.724868 Pm\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Pm"
],
"chemical_system": "F-O-Pm",
"density": 7.025577995282145,
"density_atomic": 0.07051589331158369,
"volume": 85.08720117163114,
"volume_molar": 8.54011837216666,
"formula_full": "Pm2 O2 F2",
"formula_reduced": "PmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.08956067083662,
"spacegroup": 166
},
{
"id": "oqmd-1347989",
"created_at": "2022-09-04T15:46:22.112097Z",
"updated_at": "2022-09-04T15:46:22.112112Z",
"structure_string": "Sm4 O4 F4\n1.0\n5.697786 0.000000 0.000000\n0.000000 5.634974 0.000000\n-0.852323 0.000000 5.593364\nF O Sm\n4 4 4\ndirect\n0.937358 0.668149 0.158581 F\n0.062642 0.168149 0.341419 F\n0.937358 0.831851 0.658581 F\n0.062642 0.331851 0.841419 F\n0.537553 0.246980 0.009467 O\n0.462447 0.746980 0.490533 O\n0.537553 0.253020 0.509467 O\n0.462447 0.753020 0.990533 O\n0.302332 0.474893 0.216359 Sm\n0.697668 0.974893 0.283641 Sm\n0.302332 0.025107 0.716359 Sm\n0.697668 0.525107 0.783641 Sm\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"O",
"Sm"
],
"chemical_system": "F-O-Sm",
"density": 6.855653026936299,
"density_atomic": 0.0668205602862873,
"volume": 179.58544418943762,
"volume_molar": 9.012406861299311,
"formula_full": "Sm4 O4 F4",
"formula_reduced": "SmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.08912207666995,
"spacegroup": 14
}
]
}