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=35",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=33",
"results": [
{
"id": "oqmd-1385778",
"created_at": "2022-09-04T15:49:34.273449Z",
"updated_at": "2022-09-04T15:49:34.273481Z",
"structure_string": "Cs1 Gd3 F10\n1.0\n6.751883 -3.899537 0.000000\n6.751883 3.899537 0.000000\n-0.001910 0.000000 4.068262\nCs F Gd\n1 10 3\ndirect\n0.505498 0.505498 0.464152 Cs\n0.895497 0.307871 0.180401 F\n0.307871 0.895497 0.180401 F\n0.309398 0.309398 0.185227 F\n0.955165 0.955165 0.447262 F\n0.954800 0.600904 0.454130 F\n0.600904 0.954800 0.454130 F\n0.171501 0.171501 0.722402 F\n0.680659 0.151755 0.932177 F\n0.151755 0.680659 0.932177 F\n0.681440 0.681440 0.937646 F\n0.011097 0.011097 0.947319 Gd\n0.490427 0.011896 0.954440 Gd\n0.011896 0.490427 0.954440 Gd\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cs",
"F",
"Gd"
],
"chemical_system": "Cs-F-Gd",
"density": 6.159456247435193,
"density_atomic": 0.06535083973054086,
"volume": 214.22831072601022,
"volume_molar": 9.215093156921796,
"formula_full": "Cs1 Gd3 F10",
"formula_reduced": "CsGd3F10",
"formula_anonymous": "AB3C10",
"formation_energy": -4.1644594509865,
"spacegroup": 156
},
{
"id": "oqmd-1554637",
"created_at": "2022-09-04T15:56:59.790927Z",
"updated_at": "2022-09-04T15:56:59.790964Z",
"structure_string": "Sr1 Ca1 F4\n1.0\n3.861910 0.000000 0.000000\n0.000000 3.861910 0.000000\n0.000000 0.000000 5.492600\nCa F Sr\n1 4 1\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.263984 F\n0.000000 0.500000 0.263984 F\n0.500000 0.000000 0.736016 F\n0.000000 0.500000 0.736016 F\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"F",
"Sr"
],
"chemical_system": "Ca-F-Sr",
"density": 4.128953336462421,
"density_atomic": 0.07324348170385109,
"volume": 81.91855248307407,
"volume_molar": 8.222084231808658,
"formula_full": "Sr1 Ca1 F4",
"formula_reduced": "SrCaF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.163569456087404,
"spacegroup": 123
},
{
"id": "oqmd-1560933",
"created_at": "2022-09-04T15:57:20.523025Z",
"updated_at": "2022-09-04T15:57:20.523051Z",
"structure_string": "Sr1 Ca1 F4\n1.0\n3.861910 0.000000 0.000000\n0.000000 3.861910 0.000000\n0.000000 0.000000 5.492600\nCa F Sr\n1 4 1\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.263984 F\n0.000000 0.500000 0.263984 F\n0.500000 0.000000 0.736016 F\n0.000000 0.500000 0.736016 F\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"F",
"Sr"
],
"chemical_system": "Ca-F-Sr",
"density": 4.128953336462421,
"density_atomic": 0.07324348170385109,
"volume": 81.91855248307407,
"volume_molar": 8.222084231808658,
"formula_full": "Sr1 Ca1 F4",
"formula_reduced": "SrCaF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.163569456087404,
"spacegroup": 123
},
{
"id": "oqmd-1285726",
"created_at": "2022-09-04T15:42:49.670581Z",
"updated_at": "2022-09-04T15:42:49.670608Z",
"structure_string": "Sr2 Hf2 F12\n1.0\n3.773000 -5.446500 0.000000\n3.773000 5.446500 0.000000\n0.000000 0.000000 5.330000\nF Hf Sr\n12 2 2\ndirect\n0.393697 0.185487 0.252434 F\n0.106303 0.314513 0.252434 F\n0.814513 0.606303 0.252434 F\n0.685487 0.893697 0.252434 F\n0.298761 0.701239 0.460535 F\n0.201239 0.798761 0.460535 F\n0.798761 0.201239 0.539465 F\n0.701239 0.298761 0.539465 F\n0.314513 0.106303 0.747566 F\n0.185487 0.393697 0.747566 F\n0.893697 0.685487 0.747566 F\n0.606303 0.814513 0.747566 F\n0.250000 0.250000 0.000000 Hf\n0.750000 0.750000 0.000000 Hf\n0.250000 0.750000 0.412940 Sr\n0.750000 0.250000 0.587060 Sr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"F",
"Hf",
"Sr"
],
"chemical_system": "F-Hf-Sr",
"density": 5.762566150462807,
"density_atomic": 0.07303961323048384,
"volume": 219.05921037000005,
"volume_molar": 8.2450337476412,
"formula_full": "Sr2 Hf2 F12",
"formula_reduced": "SrHfF6",
"formula_anonymous": "ABC6",
"formation_energy": -4.16299057309833,
"spacegroup": 67
},
{
"id": "oqmd-1374575",
"created_at": "2022-09-04T15:49:53.113821Z",
"updated_at": "2022-09-04T15:49:53.113848Z",
"structure_string": "Rb1 Gd2 F7\n1.0\n3.475687 -5.576201 0.000000\n3.475687 5.576201 0.000000\n0.000000 0.000000 4.336868\nF Gd Rb\n7 2 1\ndirect\n0.716218 0.283782 0.000000 F\n0.283782 0.716218 0.000000 F\n0.327431 0.049968 0.499999 F\n0.049968 0.327431 0.499999 F\n0.500000 0.500000 0.499999 F\n0.950032 0.672568 0.499999 F\n0.672568 0.950032 0.499999 F\n0.695172 0.304829 0.499999 Gd\n0.304829 0.695172 0.499999 Gd\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"F",
"Gd",
"Rb"
],
"chemical_system": "F-Gd-Rb",
"density": 5.264482440838198,
"density_atomic": 0.05948599372959407,
"volume": 168.10679914766283,
"volume_molar": 10.123628071802736,
"formula_full": "Rb1 Gd2 F7",
"formula_reduced": "RbGd2F7",
"formula_anonymous": "AB2C7",
"formation_energy": -4.16111910989177,
"spacegroup": 65
},
{
"id": "oqmd-1443908",
"created_at": "2022-09-04T15:50:34.310512Z",
"updated_at": "2022-09-04T15:50:34.310531Z",
"structure_string": "Sm1 F3\n1.0\n-2.043350 2.052354 2.559892\n2.043350 -2.052354 2.559892\n2.043350 2.052354 -2.559892\nF Sm\n3 1\ndirect\n0.500000 0.500000 0.000000 F\n0.750472 0.250473 0.499999 F\n0.249526 0.749526 0.500000 F\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sm"
],
"chemical_system": "F-Sm",
"density": 8.01839376778137,
"density_atomic": 0.09315009938457496,
"volume": 42.94144640131617,
"volume_molar": 6.464985866668036,
"formula_full": "Sm1 F3",
"formula_reduced": "SmF3",
"formula_anonymous": "AB3",
"formation_energy": -4.16047087372333,
"spacegroup": 139
},
{
"id": "oqmd-1363480",
"created_at": "2022-09-04T15:49:11.720784Z",
"updated_at": "2022-09-04T15:49:11.720811Z",
"structure_string": "Cs1 Y3 F10\n1.0\n6.736064 -3.886627 0.000000\n6.736064 3.886627 0.000000\n-0.009142 0.000000 4.070884\nCs F Y\n1 10 3\ndirect\n0.495098 0.495098 0.479849 Cs\n0.689505 0.108749 0.166455 F\n0.108749 0.689505 0.166455 F\n0.688724 0.688724 0.168669 F\n0.040278 0.040278 0.454427 F\n0.407248 0.040488 0.457176 F\n0.040488 0.407248 0.457176 F\n0.828659 0.828659 0.719033 F\n0.855813 0.315641 0.936114 F\n0.315641 0.855813 0.936114 F\n0.315183 0.315183 0.939555 F\n0.988498 0.988498 0.952810 Y\n0.988092 0.510123 0.956237 Y\n0.510123 0.988092 0.956237 Y\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cs",
"F",
"Y"
],
"chemical_system": "Cs-F-Y",
"density": 4.5931852581679,
"density_atomic": 0.06567956149242984,
"volume": 213.15611252388803,
"volume_molar": 9.168972239094662,
"formula_full": "Cs1 Y3 F10",
"formula_reduced": "CsY3F10",
"formula_anonymous": "AB3C10",
"formation_energy": -4.15939493402222,
"spacegroup": 156
},
{
"id": "oqmd-1348262",
"created_at": "2022-09-04T15:46:06.386485Z",
"updated_at": "2022-09-04T15:46:06.386513Z",
"structure_string": "Er2 O2 F2\n1.0\n3.588946 0.000000 0.000000\n0.000000 3.874415 0.000000\n0.000000 0.000000 5.390879\nEr F O\n2 2 2\ndirect\n0.000000 0.000000 0.288304 Er\n0.499999 0.500001 0.711697 Er\n0.499999 0.000000 0.012972 F\n0.000000 0.500001 0.987028 F\n0.000000 0.500001 0.477123 O\n0.499999 0.000000 0.522878 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"F",
"O"
],
"chemical_system": "Er-F-O",
"density": 8.960857817196906,
"density_atomic": 0.08004212407746801,
"volume": 74.96052946062447,
"volume_molar": 7.523714330933457,
"formula_full": "Er2 O2 F2",
"formula_reduced": "ErOF",
"formula_anonymous": "ABC",
"formation_energy": -4.15924325166995,
"spacegroup": 59
},
{
"id": "oqmd-1442951",
"created_at": "2022-09-04T15:50:41.768102Z",
"updated_at": "2022-09-04T15:50:41.768129Z",
"structure_string": "Sc2 F6\n1.0\n2.399588 1.385403 4.652426\n-2.399588 1.385403 4.652426\n0.000000 -2.770805 4.652426\nF Sc\n6 2\ndirect\n0.425140 0.750000 0.074860 F\n0.925140 0.574859 0.250000 F\n0.750000 0.074859 0.425141 F\n0.250000 0.925140 0.574859 F\n0.074860 0.425141 0.749999 F\n0.574860 0.250000 0.925140 F\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 3.6486119476809704,
"density_atomic": 0.08620779993516332,
"volume": 92.79902753598607,
"volume_molar": 6.985610077660301,
"formula_full": "Sc2 F6",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.15884577809833,
"spacegroup": 167
},
{
"id": "oqmd-13756",
"created_at": "2022-09-04T15:01:59.188387Z",
"updated_at": "2022-09-04T15:01:59.188409Z",
"structure_string": "La2 O2 F2\n1.0\n4.040372 0.000000 0.000000\n0.000000 4.040372 0.000000\n0.000000 0.000000 5.774531\nF La O\n2 2 2\ndirect\n0.000000 0.000000 0.000000 F\n0.500001 0.500001 0.000000 F\n0.500001 0.000000 0.283578 La\n0.000000 0.500001 0.716424 La\n0.000000 0.000000 0.500001 O\n0.500001 0.500001 0.500001 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"La",
"O"
],
"chemical_system": "F-La-O",
"density": 6.12671144964196,
"density_atomic": 0.06364903560377258,
"volume": 94.26694282300123,
"volume_molar": 9.461479978249752,
"formula_full": "La2 O2 F2",
"formula_reduced": "LaOF",
"formula_anonymous": "ABC",
"formation_energy": -4.15823440666995,
"spacegroup": 129
},
{
"id": "oqmd-1016709",
"created_at": "2022-09-04T15:27:44.517406Z",
"updated_at": "2022-09-04T15:27:44.517429Z",
"structure_string": "La2 O2 F2\n1.0\n4.039951 0.000000 0.000000\n0.000000 4.039951 0.000000\n0.000000 0.000000 5.775032\nF La O\n2 2 2\ndirect\n0.000000 0.000000 0.000000 F\n0.500001 0.500001 0.000000 F\n0.500001 0.000000 0.283585 La\n0.000000 0.500001 0.716415 La\n0.000000 0.000000 0.500001 O\n0.500001 0.500001 0.500001 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"La",
"O"
],
"chemical_system": "F-La-O",
"density": 6.127456815438555,
"density_atomic": 0.06365677904240444,
"volume": 94.25547585439644,
"volume_molar": 9.46032904993261,
"formula_full": "La2 O2 F2",
"formula_reduced": "LaOF",
"formula_anonymous": "ABC",
"formation_energy": -4.15817940500329,
"spacegroup": 129
},
{
"id": "oqmd-2321",
"created_at": "2022-09-04T15:15:50.364636Z",
"updated_at": "2022-09-04T15:15:50.364664Z",
"structure_string": "Sm2 Zr2 F14\n1.0\n5.845526 0.000000 0.033422\n0.000000 5.490444 0.000000\n-1.715578 0.000000 7.941231\nF Sm Zr\n14 2 2\ndirect\n0.600126 0.768073 0.018805 F\n0.066288 0.599928 0.032613 F\n0.824149 0.408563 0.252395 F\n0.009544 0.908460 0.277025 F\n0.511178 0.056032 0.288924 F\n0.407204 0.575839 0.312399 F\n0.193036 0.256666 0.475507 F\n0.806964 0.756667 0.524493 F\n0.592794 0.075839 0.687601 F\n0.488823 0.556032 0.711076 F\n0.990457 0.408459 0.722976 F\n0.175851 0.908562 0.747605 F\n0.933712 0.099928 0.967388 F\n0.399874 0.268073 0.981195 F\n0.169007 0.263104 0.189162 Sm\n0.830994 0.763104 0.810837 Sm\n0.697637 0.748949 0.274361 Zr\n0.302363 0.248949 0.725639 Zr\n",
"nsites": 18,
"nelements": 3,
"elements": [
"F",
"Sm",
"Zr"
],
"chemical_system": "F-Sm-Zr",
"density": 4.8748399557792315,
"density_atomic": 0.07053708540945083,
"volume": 255.18491295060355,
"volume_molar": 8.537552586760453,
"formula_full": "Sm2 Zr2 F14",
"formula_reduced": "SmZrF7",
"formula_anonymous": "ABC7",
"formation_energy": -4.15799107849086,
"spacegroup": 4
}
]
}