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=29",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=27",
"results": [
{
"id": "oqmd-1472592",
"created_at": "2022-09-04T15:52:14.500739Z",
"updated_at": "2022-09-04T15:52:14.500768Z",
"structure_string": "Y2 F6\n1.0\n2.896047 1.672033 3.176329\n-2.896047 1.672033 3.176329\n0.000000 -3.344067 3.176329\nF Y\n6 2\ndirect\n0.750541 0.372298 0.127358 F\n0.627702 0.872643 0.249459 F\n0.127358 0.750542 0.372298 F\n0.872642 0.249458 0.627703 F\n0.372298 0.127358 0.750542 F\n0.249459 0.627702 0.872642 F\n0.249603 0.249603 0.249603 Y\n0.750398 0.750398 0.750398 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Y"
],
"chemical_system": "F-Y",
"density": 5.2506161736631505,
"density_atomic": 0.08668874584502136,
"volume": 92.2841820125311,
"volume_molar": 6.94685417501153,
"formula_full": "Y2 F6",
"formula_reduced": "YF3",
"formula_anonymous": "AB3",
"formation_energy": -4.2039396880983295,
"spacegroup": 167
},
{
"id": "oqmd-23364",
"created_at": "2022-09-04T14:49:18.026619Z",
"updated_at": "2022-09-04T14:49:18.026645Z",
"structure_string": "Ca1 F2\n1.0\n2.102694 2.640114 1.621939\n3.227109 0.999975 -1.614939\n-3.227109 0.988582 -1.621939\nCa F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.748045 0.748046 0.251955 F\n0.251954 0.251955 0.748044 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"F"
],
"chemical_system": "Ca-F",
"density": 3.417766350675213,
"density_atomic": 0.07908672850325678,
"volume": 37.93303954754508,
"volume_molar": 7.61460345366544,
"formula_full": "Ca1 F2",
"formula_reduced": "CaF2",
"formula_anonymous": "AB2",
"formation_energy": -4.20238149942074,
"spacegroup": 225
},
{
"id": "oqmd-1440696",
"created_at": "2022-09-04T15:50:40.775321Z",
"updated_at": "2022-09-04T15:50:40.775348Z",
"structure_string": "Ho2 F6\n1.0\n3.838166 0.000000 0.000000\n0.000000 4.886499 0.000000\n0.000000 0.000000 4.376599\nF Ho\n6 2\ndirect\n0.499999 0.251231 0.165683 F\n0.499999 0.748769 0.165683 F\n0.000000 0.500000 0.388039 F\n0.499999 0.000000 0.611961 F\n0.000000 0.248769 0.834317 F\n0.000000 0.751231 0.834317 F\n0.000000 0.000000 0.272394 Ho\n0.499999 0.500000 0.727606 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Ho"
],
"chemical_system": "F-Ho",
"density": 8.979001272209214,
"density_atomic": 0.0974611792732644,
"volume": 82.08396470936776,
"volume_molar": 6.179014870233565,
"formula_full": "Ho2 F6",
"formula_reduced": "HoF3",
"formula_anonymous": "AB3",
"formation_energy": -4.20120191768166,
"spacegroup": 59
},
{
"id": "oqmd-1343713",
"created_at": "2022-09-04T15:45:56.271887Z",
"updated_at": "2022-09-04T15:45:56.271915Z",
"structure_string": "Sr4 F8\n1.0\n11.428689 0.000000 0.000000\n0.000000 4.731111 0.000000\n0.000000 0.000000 7.828423\nF Sr\n8 4\ndirect\n0.391325 0.250000 0.120466 F\n0.125067 0.750000 0.122949 F\n0.625067 0.750000 0.377051 F\n0.891325 0.250000 0.379534 F\n0.108675 0.750000 0.620466 F\n0.374933 0.250000 0.622949 F\n0.874933 0.250000 0.877051 F\n0.608675 0.750000 0.879534 F\n0.669816 0.250000 0.132564 Sr\n0.169816 0.250000 0.367436 Sr\n0.830184 0.750000 0.632564 Sr\n0.330184 0.750000 0.867436 Sr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"F",
"Sr"
],
"chemical_system": "F-Sr",
"density": 1.9711650957894398,
"density_atomic": 0.028349630942723424,
"volume": 423.2859335715646,
"volume_molar": 21.242395614133095,
"formula_full": "Sr4 F8",
"formula_reduced": "SrF2",
"formula_anonymous": "AB2",
"formation_energy": -4.2010843360874,
"spacegroup": 62
},
{
"id": "oqmd-1441196",
"created_at": "2022-09-04T15:55:08.589920Z",
"updated_at": "2022-09-04T15:55:08.589940Z",
"structure_string": "Sr4 F8\n1.0\n5.679638 0.000000 0.000000\n0.000000 5.719452 0.000000\n0.000000 0.000000 5.706644\nF Sr\n8 4\ndirect\n0.749821 0.498184 0.000219 F\n0.750179 0.998184 0.000219 F\n0.250179 0.498184 0.499781 F\n0.249821 0.998184 0.499781 F\n0.750179 0.001816 0.500219 F\n0.749821 0.501816 0.500219 F\n0.249821 0.001816 0.999781 F\n0.250179 0.501816 0.999781 F\n0.000000 0.249751 0.250000 Sr\n0.500000 0.749751 0.250000 Sr\n0.500000 0.250249 0.750000 Sr\n0.000000 0.750249 0.750000 Sr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"F",
"Sr"
],
"chemical_system": "F-Sr",
"density": 4.500916752018246,
"density_atomic": 0.06473294859786258,
"volume": 185.3770029007489,
"volume_molar": 9.303053376126984,
"formula_full": "Sr4 F8",
"formula_reduced": "SrF2",
"formula_anonymous": "AB2",
"formation_energy": -4.200743461087404,
"spacegroup": 225
},
{
"id": "oqmd-1347734",
"created_at": "2022-09-04T15:49:30.827208Z",
"updated_at": "2022-09-04T15:49:30.827236Z",
"structure_string": "Cs1 Dy3 F10\n1.0\n6.730788 -3.892040 0.000000\n6.730788 3.892040 0.000000\n-0.009244 0.000000 4.088617\nCs Dy F\n1 3 10\ndirect\n0.505306 0.505306 0.509194 Cs\n0.489369 0.012444 0.042506 Dy\n0.012444 0.489369 0.042506 Dy\n0.011705 0.011705 0.046813 Dy\n0.688073 0.688073 0.058274 F\n0.687427 0.138227 0.062160 F\n0.138227 0.687427 0.062160 F\n0.171155 0.171155 0.276301 F\n0.962006 0.586730 0.541658 F\n0.586730 0.962006 0.541658 F\n0.962806 0.962806 0.545321 F\n0.313383 0.313383 0.837831 F\n0.886595 0.312675 0.843659 F\n0.312675 0.886595 0.843659 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cs",
"Dy",
"F"
],
"chemical_system": "Cs-Dy-F",
"density": 6.281932443829072,
"density_atomic": 0.06535493742291405,
"volume": 214.2148788148249,
"volume_molar": 9.214515379351555,
"formula_full": "Cs1 Dy3 F10",
"formula_reduced": "CsDy3F10",
"formula_anonymous": "AB3C10",
"formation_energy": -4.19975479223651,
"spacegroup": 156
},
{
"id": "oqmd-3274",
"created_at": "2022-09-04T14:49:28.036794Z",
"updated_at": "2022-09-04T14:49:28.036809Z",
"structure_string": "Y3 F9\n1.0\n5.261207 0.000000 0.000000\n0.000000 5.261207 0.000000\n0.000000 0.000000 5.261207\nF Y\n9 3\ndirect\n0.239422 0.239422 0.239422 F\n0.760576 0.239422 0.239422 F\n0.239422 0.760576 0.239422 F\n0.760576 0.760576 0.239422 F\n0.500001 0.500001 0.500001 F\n0.239422 0.239422 0.760576 F\n0.760576 0.239422 0.760576 F\n0.239422 0.760576 0.760576 F\n0.760576 0.760576 0.760576 F\n0.500001 0.500001 0.000000 Y\n0.500001 0.000000 0.500001 Y\n0.000000 0.500001 0.500001 Y\n",
"nsites": 12,
"nelements": 2,
"elements": [
"F",
"Y"
],
"chemical_system": "F-Y",
"density": 4.990828314747916,
"density_atomic": 0.08239959521388443,
"volume": 145.6317833704356,
"volume_molar": 7.308459154888254,
"formula_full": "Y3 F9",
"formula_reduced": "YF3",
"formula_anonymous": "AB3",
"formation_energy": -4.198114604765,
"spacegroup": 221
},
{
"id": "oqmd-1021470",
"created_at": "2022-09-04T15:28:10.236365Z",
"updated_at": "2022-09-04T15:28:10.236385Z",
"structure_string": "Lu4 O4 F4\n1.0\n-4.214658 0.000000 3.579014\n4.214658 0.000000 3.579014\n0.000000 5.170151 -3.579014\nF Lu O\n4 4 4\ndirect\n0.500001 0.000000 0.000000 F\n0.499999 0.499999 0.000000 F\n0.000000 0.000000 0.500001 F\n0.500001 0.000000 0.500001 F\n0.325249 0.174750 0.250000 Lu\n0.924751 0.575250 0.250000 Lu\n0.075249 0.424751 0.749999 Lu\n0.674750 0.825249 0.749999 Lu\n0.009189 0.759188 0.018377 O\n0.740811 0.490812 0.481622 O\n0.259189 0.509188 0.518377 O\n0.990811 0.240811 0.981623 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"Lu",
"O"
],
"chemical_system": "F-Lu-O",
"density": 8.941216860532926,
"density_atomic": 0.07693470386148367,
"volume": 155.9764241324082,
"volume_molar": 7.827599844723527,
"formula_full": "Lu4 O4 F4",
"formula_reduced": "LuOF",
"formula_anonymous": "ABC",
"formation_energy": -4.19741271750329,
"spacegroup": 70
},
{
"id": "oqmd-1018325",
"created_at": "2022-09-04T15:27:52.683397Z",
"updated_at": "2022-09-04T15:27:52.683413Z",
"structure_string": "Tm2 O2 F2\n1.0\n3.817328 0.000000 0.000000\n0.000000 3.680665 0.000000\n0.000000 0.000000 5.358317\nF O Tm\n2 2 2\ndirect\n0.000000 0.000000 0.489239 F\n0.500002 0.500002 0.510759 F\n0.500002 0.500002 0.013732 O\n0.000000 0.000000 0.986267 O\n0.000000 0.500002 0.211369 Tm\n0.500002 0.000000 0.788630 Tm\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Tm"
],
"chemical_system": "F-O-Tm",
"density": 8.99601824079121,
"density_atomic": 0.07969610159906086,
"volume": 75.28599115406047,
"volume_molar": 7.5563805997644495,
"formula_full": "Tm2 O2 F2",
"formula_reduced": "TmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.19697173333662,
"spacegroup": 59
},
{
"id": "oqmd-1440692",
"created_at": "2022-09-04T15:50:40.754817Z",
"updated_at": "2022-09-04T15:50:40.754849Z",
"structure_string": "Er2 F6\n1.0\n3.803449 0.000000 0.000000\n0.000000 4.848721 0.000000\n0.000000 0.000000 4.422762\nEr F\n2 6\ndirect\n0.499999 0.500000 0.267484 Er\n0.000000 0.000000 0.732515 Er\n0.000000 0.249264 0.161564 F\n0.000000 0.750736 0.161564 F\n0.499999 0.000000 0.394335 F\n0.000000 0.500000 0.605665 F\n0.499999 0.250736 0.838435 F\n0.499999 0.749264 0.838435 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"F"
],
"chemical_system": "Er-F",
"density": 9.13106292067482,
"density_atomic": 0.0980825221766064,
"volume": 81.56397105689514,
"volume_molar": 6.139871433114857,
"formula_full": "Er2 F6",
"formula_reduced": "ErF3",
"formula_anonymous": "AB3",
"formation_energy": -4.19659228559833,
"spacegroup": 59
},
{
"id": "oqmd-1036516",
"created_at": "2022-09-04T15:30:19.715435Z",
"updated_at": "2022-09-04T15:30:19.715462Z",
"structure_string": "Tm2 O2 F2\n1.0\n3.817112 -0.000222 0.000000\n-0.000284 5.350514 0.000000\n0.000000 0.000000 3.674735\nF O Tm\n2 2 2\ndirect\n0.250008 0.490849 0.249999 F\n0.749992 0.509152 0.750000 F\n0.249998 0.988203 0.249999 O\n0.750002 0.011796 0.750000 O\n0.749969 0.788683 0.249999 Tm\n0.250029 0.211317 0.750000 Tm\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Tm"
],
"chemical_system": "F-O-Tm",
"density": 9.024186610134626,
"density_atomic": 0.0799456463604191,
"volume": 75.05099118156089,
"volume_molar": 7.532793884547973,
"formula_full": "Tm2 O2 F2",
"formula_reduced": "TmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.19577964833662,
"spacegroup": 59
},
{
"id": "oqmd-1016727",
"created_at": "2022-09-04T15:27:43.907528Z",
"updated_at": "2022-09-04T15:27:43.907549Z",
"structure_string": "Tm2 O2 F2\n1.0\n3.745247 0.000000 0.000000\n0.000000 3.745247 0.000000\n0.000000 0.000000 5.326254\nF O Tm\n2 2 2\ndirect\n0.000000 0.000000 0.000000 F\n0.499999 0.499999 0.000000 F\n0.000000 0.000000 0.499999 O\n0.499999 0.499999 0.499999 O\n0.499999 0.000000 0.287996 Tm\n0.000000 0.499999 0.712005 Tm\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"O",
"Tm"
],
"chemical_system": "F-O-Tm",
"density": 9.065289893920863,
"density_atomic": 0.08030978206946308,
"volume": 74.71069956098704,
"volume_molar": 7.498639150572235,
"formula_full": "Tm2 O2 F2",
"formula_reduced": "TmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.19529830666995,
"spacegroup": 129
}
]
}