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=67",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=65",
"results": [
{
"id": "oqmd-20979",
"created_at": "2022-09-04T15:17:42.186937Z",
"updated_at": "2022-09-04T15:17:42.186973Z",
"structure_string": "Zr6 F24\n1.0\n-4.434699 -4.951298 -3.834348\n4.434699 -4.951298 3.834348\n-0.560740 0.000000 7.659188\nF Zr\n24 6\ndirect\n0.000000 0.500000 0.000000 F\n0.839994 0.065365 0.049637 F\n0.400643 0.172920 0.077410 F\n0.745541 0.317639 0.108879 F\n0.964085 0.724116 0.142849 F\n0.501205 0.739873 0.217200 F\n0.387730 0.387731 0.250000 F\n0.739873 0.501205 0.282800 F\n0.724116 0.964085 0.357151 F\n0.317639 0.745541 0.391122 F\n0.172920 0.400643 0.422589 F\n0.065365 0.839994 0.450363 F\n0.500000 0.000000 0.500000 F\n0.934636 0.160007 0.549637 F\n0.827079 0.599356 0.577410 F\n0.682361 0.254458 0.608879 F\n0.275884 0.035915 0.642849 F\n0.260127 0.498795 0.717199 F\n0.612268 0.612269 0.749999 F\n0.498795 0.260127 0.782801 F\n0.035915 0.275884 0.857152 F\n0.254458 0.682361 0.891121 F\n0.599356 0.827079 0.922590 F\n0.160007 0.934636 0.950362 F\n0.221906 0.633423 0.167185 Zr\n0.787298 0.787299 0.250000 Zr\n0.633423 0.221906 0.332815 Zr\n0.366576 0.778094 0.667184 Zr\n0.212701 0.212702 0.749999 Zr\n0.778094 0.366576 0.832816 Zr\n",
"nsites": 30,
"nelements": 2,
"elements": [
"F",
"Zr"
],
"chemical_system": "F-Zr",
"density": 4.6583323133248395,
"density_atomic": 0.08388211157202087,
"volume": 357.6447878787852,
"volume_molar": 7.179290848954621,
"formula_full": "Zr6 F24",
"formula_reduced": "ZrF4",
"formula_anonymous": "AB4",
"formation_energy": -3.95960915697155,
"spacegroup": 15
},
{
"id": "oqmd-1753668",
"created_at": "2022-09-04T16:02:46.487786Z",
"updated_at": "2022-09-04T16:02:46.487812Z",
"structure_string": "Tm2 Pb1 F8\n1.0\n3.366403 -5.032950 0.000000\n3.366403 5.032950 0.000000\n-0.781289 0.000000 4.038085\nF Pb Tm\n8 1 2\ndirect\n0.747447 0.252553 0.000000 F\n0.252553 0.747447 0.000000 F\n0.385174 0.385174 0.206877 F\n0.946969 0.674188 0.424755 F\n0.674188 0.946969 0.424755 F\n0.325812 0.053031 0.575245 F\n0.053031 0.325812 0.575245 F\n0.614826 0.614826 0.793123 F\n0.000000 0.000000 0.000000 Pb\n0.677148 0.322852 0.500000 Tm\n0.322852 0.677148 0.500000 Tm\n",
"nsites": 11,
"nelements": 3,
"elements": [
"F",
"Pb",
"Tm"
],
"chemical_system": "F-Pb-Tm",
"density": 8.459065217799361,
"density_atomic": 0.08038934905218333,
"volume": 136.83404741664899,
"volume_molar": 7.491217220941587,
"formula_full": "Tm2 Pb1 F8",
"formula_reduced": "Tm2PbF8",
"formula_anonymous": "AB2C8",
"formation_energy": -3.9591151411862593,
"spacegroup": 12
},
{
"id": "oqmd-49480",
"created_at": "2022-09-04T15:19:14.533914Z",
"updated_at": "2022-09-04T15:19:14.533934Z",
"structure_string": "Ba6 Mg7 F26\n1.0\n-5.780546 0.000000 0.000000\n2.890273 5.987799 7.409593\n2.890273 5.987799 -7.409593\nBa F Mg\n6 26 7\ndirect\n0.741500 0.389827 0.093174 Ba\n0.500000 0.647649 0.352352 Ba\n0.741500 0.093174 0.389827 Ba\n0.258500 0.906827 0.610173 Ba\n0.500000 0.352352 0.647649 Ba\n0.258500 0.610173 0.906827 Ba\n0.000000 0.910901 0.089099 F\n0.500000 0.908772 0.091228 F\n0.118950 0.644668 0.127205 F\n0.652923 0.644668 0.127205 F\n0.278393 0.407577 0.149209 F\n0.421958 0.163426 0.163426 F\n0.904894 0.163426 0.163426 F\n0.347077 0.872795 0.355332 F\n0.881051 0.872795 0.355332 F\n0.000000 0.631129 0.368871 F\n0.136569 0.387154 0.387154 F\n0.637739 0.387154 0.387154 F\n0.278393 0.149209 0.407577 F\n0.721607 0.850791 0.592424 F\n0.362260 0.612845 0.612845 F\n0.863431 0.612845 0.612845 F\n0.000000 0.368871 0.631129 F\n0.118950 0.127205 0.644668 F\n0.652923 0.127205 0.644668 F\n0.095107 0.836575 0.836575 F\n0.578042 0.836575 0.836575 F\n0.721607 0.592424 0.850791 F\n0.347077 0.355332 0.872795 F\n0.881051 0.355332 0.872795 F\n0.500000 0.091228 0.908772 F\n0.000000 0.089099 0.910901 F\n0.254964 0.000000 0.000000 Mg\n0.745035 0.000000 0.000000 Mg\n0.000000 0.779632 0.220368 Mg\n0.266627 0.266627 0.266627 Mg\n0.000000 0.500000 0.500000 Mg\n0.733372 0.733372 0.733372 Mg\n0.000000 0.220368 0.779632 Mg\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Ba",
"F",
"Mg"
],
"chemical_system": "Ba-F-Mg",
"density": 4.817345532818244,
"density_atomic": 0.0760333600328722,
"volume": 512.9327440368119,
"volume_molar": 7.920392782058286,
"formula_full": "Ba6 Mg7 F26",
"formula_reduced": "Ba6Mg7F26",
"formula_anonymous": "A6B7C26",
"formation_energy": -3.95812317491219,
"spacegroup": 71
},
{
"id": "oqmd-1472551",
"created_at": "2022-09-04T15:52:19.475116Z",
"updated_at": "2022-09-04T15:52:19.475131Z",
"structure_string": "Ba4 F8\n1.0\n4.147216 0.000000 0.000000\n-2.073608 3.591594 0.000000\n0.000000 0.000000 14.710106\nBa F\n4 8\ndirect\n0.000000 0.000000 0.000116 Ba\n0.333333 0.666667 0.242414 Ba\n0.333333 0.666667 0.499767 Ba\n0.000000 0.000000 0.742163 Ba\n0.666667 0.333333 0.077728 F\n0.000000 0.000000 0.178985 F\n0.666667 0.333333 0.316937 F\n0.000000 0.000000 0.434571 F\n0.666667 0.333333 0.577224 F\n0.333333 0.666667 0.678563 F\n0.666667 0.333333 0.816501 F\n0.333333 0.666667 0.935061 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"F"
],
"chemical_system": "Ba-F",
"density": 5.314841099524293,
"density_atomic": 0.05476732775765693,
"volume": 219.1087367471987,
"volume_molar": 10.995863786978457,
"formula_full": "Ba4 F8",
"formula_reduced": "BaF2",
"formula_anonymous": "AB2",
"formation_energy": -3.957643136920737,
"spacegroup": 186
},
{
"id": "oqmd-346679",
"created_at": "2022-09-04T14:51:07.581892Z",
"updated_at": "2022-09-04T14:51:07.581910Z",
"structure_string": "Ho1 F3\n1.0\n3.438684 0.000000 0.000000\n0.000000 3.438684 0.000000\n0.000000 0.000000 3.438684\nF Ho\n3 1\ndirect\n0.500002 0.500002 0.000000 F\n0.500002 0.000000 0.500002 F\n0.000000 0.500002 0.500002 F\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Ho"
],
"chemical_system": "F-Ho",
"density": 9.063158156922878,
"density_atomic": 0.09837464715009209,
"volume": 40.660882817674796,
"volume_molar": 6.121638993847577,
"formula_full": "Ho1 F3",
"formula_reduced": "HoF3",
"formula_anonymous": "AB3",
"formation_energy": -3.95739262518166,
"spacegroup": 221
},
{
"id": "oqmd-1729948",
"created_at": "2022-09-04T16:01:46.318630Z",
"updated_at": "2022-09-04T16:01:46.318651Z",
"structure_string": "Ho1 Hf1 F6\n1.0\n0.000000 4.150180 4.150180\n4.150180 0.000000 4.150180\n4.150180 4.150180 0.000000\nF Hf Ho\n6 1 1\ndirect\n0.743444 0.256556 0.256556 F\n0.256556 0.743444 0.256556 F\n0.743444 0.743444 0.256556 F\n0.256556 0.256556 0.743444 F\n0.743444 0.256556 0.743444 F\n0.256556 0.743444 0.743444 F\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Hf",
"Ho"
],
"chemical_system": "F-Hf-Ho",
"density": 5.312814580903076,
"density_atomic": 0.05595761447139254,
"volume": 142.96535110677164,
"volume_molar": 10.761968352097506,
"formula_full": "Ho1 Hf1 F6",
"formula_reduced": "HoHfF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.957122376639996,
"spacegroup": 225
},
{
"id": "oqmd-1442354",
"created_at": "2022-09-04T15:50:42.168876Z",
"updated_at": "2022-09-04T15:50:42.168907Z",
"structure_string": "Sc2 F6\n1.0\n4.573930 0.000000 0.000000\n-2.286965 3.961139 0.000000\n0.000000 0.000000 5.644773\nF Sc\n6 2\ndirect\n0.320768 0.000000 0.249999 F\n0.000000 0.320769 0.249999 F\n0.679232 0.679231 0.249999 F\n0.679232 0.000000 0.750000 F\n0.320767 0.320769 0.750000 F\n0.000000 0.679231 0.750000 F\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500001 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 3.310663364613444,
"density_atomic": 0.07822289930576797,
"volume": 102.27184201813522,
"volume_molar": 7.698692855221159,
"formula_full": "Sc2 F6",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -3.95654319184833,
"spacegroup": 193
},
{
"id": "oqmd-1386448",
"created_at": "2022-09-04T15:49:03.194007Z",
"updated_at": "2022-09-04T15:49:03.194057Z",
"structure_string": "Sr2 Mg2 F8\n1.0\n1.961758 -6.737690 0.000000\n1.961758 6.737690 0.000000\n0.000000 0.000000 5.496077\nF Mg Sr\n8 2 2\ndirect\n0.293823 0.706178 0.000942 F\n0.666419 0.333582 0.010114 F\n0.467081 0.532920 0.128373 F\n0.079719 0.920283 0.310984 F\n0.706178 0.293823 0.500943 F\n0.333582 0.666419 0.510115 F\n0.532920 0.467081 0.628374 F\n0.920283 0.079719 0.810984 F\n0.589239 0.410762 0.297987 Mg\n0.410762 0.589239 0.797987 Mg\n0.850831 0.149170 0.250599 Sr\n0.149170 0.850831 0.750599 Sr\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"Mg",
"Sr"
],
"chemical_system": "F-Mg-Sr",
"density": 4.295459505233412,
"density_atomic": 0.0825927609604032,
"volume": 145.29118363960572,
"volume_molar": 7.29136632553929,
"formula_full": "Sr2 Mg2 F8",
"formula_reduced": "SrMgF4",
"formula_anonymous": "ABC4",
"formation_energy": -3.95597241261518,
"spacegroup": 36
},
{
"id": "oqmd-1712636",
"created_at": "2022-09-04T16:00:28.653130Z",
"updated_at": "2022-09-04T16:00:28.653147Z",
"structure_string": "La1 Zr1 F6\n1.0\n0.000000 4.354565 4.354565\n4.354565 0.000000 4.354565\n4.354565 4.354565 0.000000\nF La Zr\n6 1 1\ndirect\n0.738619 0.261381 0.261381 F\n0.261381 0.738619 0.261381 F\n0.738619 0.738619 0.261381 F\n0.738619 0.261381 0.738619 F\n0.261381 0.738619 0.738619 F\n0.261381 0.261381 0.738619 F\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"La",
"Zr"
],
"chemical_system": "F-La-Zr",
"density": 3.460146950469718,
"density_atomic": 0.0484424007962034,
"volume": 165.14458136903463,
"volume_molar": 12.431548934445,
"formula_full": "La1 Zr1 F6",
"formula_reduced": "LaZrF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.95588257684833,
"spacegroup": 225
},
{
"id": "oqmd-1441639",
"created_at": "2022-09-04T15:50:47.189753Z",
"updated_at": "2022-09-04T15:50:47.189783Z",
"structure_string": "Ba4 F8\n1.0\n5.008013 0.000000 0.000000\n0.000000 5.008013 0.000000\n0.000000 0.000000 8.519820\nBa F\n4 8\ndirect\n0.429722 0.429722 0.000000 Ba\n0.070278 0.929722 0.250000 Ba\n0.570278 0.570278 0.500000 Ba\n0.929722 0.070278 0.750000 Ba\n0.901923 0.269845 0.040274 F\n0.598077 0.769845 0.209726 F\n0.230155 0.401923 0.290274 F\n0.730155 0.098077 0.459726 F\n0.098077 0.730155 0.540274 F\n0.401923 0.230155 0.709726 F\n0.769845 0.598077 0.790274 F\n0.269845 0.901923 0.959726 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"F"
],
"chemical_system": "Ba-F",
"density": 5.44990165206553,
"density_atomic": 0.05615907313811962,
"volume": 213.6787402186424,
"volume_molar": 10.723362091801148,
"formula_full": "Ba4 F8",
"formula_reduced": "BaF2",
"formula_anonymous": "AB2",
"formation_energy": -3.955144179420737,
"spacegroup": 92
},
{
"id": "oqmd-1729971",
"created_at": "2022-09-04T16:01:44.913506Z",
"updated_at": "2022-09-04T16:01:44.913530Z",
"structure_string": "La1 Hf1 F6\n1.0\n0.000000 4.305256 4.305256\n4.305256 0.000000 4.305256\n4.305256 4.305256 0.000000\nF Hf La\n6 1 1\ndirect\n0.733062 0.266938 0.266938 F\n0.266938 0.733062 0.266938 F\n0.733062 0.733062 0.266938 F\n0.266938 0.266938 0.733062 F\n0.733062 0.266938 0.733062 F\n0.266938 0.733062 0.733062 F\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 La\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Hf",
"La"
],
"chemical_system": "F-Hf-La",
"density": 4.4883642534176715,
"density_atomic": 0.05012599994997585,
"volume": 159.59781366922843,
"volume_molar": 12.01400623630432,
"formula_full": "La1 Hf1 F6",
"formula_reduced": "LaHfF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.9548827312233295,
"spacegroup": 225
},
{
"id": "oqmd-1370945",
"created_at": "2022-09-04T15:50:10.719319Z",
"updated_at": "2022-09-04T15:50:10.719341Z",
"structure_string": "Li2 Ce2 F8\n1.0\n-2.602181 2.602181 5.699156\n2.602181 -2.602181 5.699156\n2.602181 2.602181 -5.699156\nCe F Li\n2 8 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Ce\n0.062025 0.680004 0.081426 F\n0.430005 0.848579 0.117980 F\n0.319995 0.401421 0.382020 F\n0.687975 0.569995 0.418574 F\n0.151421 0.269401 0.581426 F\n0.019401 0.937975 0.617980 F\n0.730599 0.312025 0.882020 F\n0.598578 0.980598 0.918574 F\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"F",
"Li"
],
"chemical_system": "Ce-F-Li",
"density": 4.798847784247022,
"density_atomic": 0.07773841951767999,
"volume": 154.36382775020078,
"volume_molar": 7.746672491367528,
"formula_full": "Li2 Ce2 F8",
"formula_reduced": "LiCeF4",
"formula_anonymous": "ABC4",
"formation_energy": -3.9537667898374,
"spacegroup": 88
}
]
}