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=22",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=20",
"results": [
{
"id": "oqmd-642438",
"created_at": "2022-09-04T15:16:15.161461Z",
"updated_at": "2022-09-04T15:16:15.161481Z",
"structure_string": "Sc1 F3\n1.0\n3.975044 0.000000 0.000000\n0.000000 3.975044 0.000000\n0.000000 0.000000 3.975044\nF Sc\n3 1\ndirect\n0.499999 0.000000 0.000000 F\n0.000000 0.499999 0.000000 F\n0.000000 0.000000 0.499999 F\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 2.6953507257457288,
"density_atomic": 0.06368456263699719,
"volume": 62.80957008058689,
"volume_molar": 9.456201802509469,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26615894309833,
"spacegroup": 221
},
{
"id": "oqmd-642437",
"created_at": "2022-09-04T15:16:11.108433Z",
"updated_at": "2022-09-04T15:16:11.108457Z",
"structure_string": "Sc1 F3\n1.0\n3.975044 0.000000 0.000000\n0.000000 3.975044 0.000000\n0.000000 0.000000 3.975044\nF Sc\n3 1\ndirect\n0.499999 0.000000 0.000000 F\n0.000000 0.499999 0.000000 F\n0.000000 0.000000 0.499999 F\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 2.6953507257457288,
"density_atomic": 0.06368456263699719,
"volume": 62.80957008058689,
"volume_molar": 9.456201802509469,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26615894309833,
"spacegroup": 221
},
{
"id": "oqmd-642444",
"created_at": "2022-09-04T15:16:10.180915Z",
"updated_at": "2022-09-04T15:16:10.180939Z",
"structure_string": "Sc1 F3\n1.0\n3.974981 0.000000 0.000000\n0.000000 3.974981 0.000000\n0.000000 0.000000 3.974981\nF Sc\n3 1\ndirect\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 2.695478884688147,
"density_atomic": 0.06368759072017685,
"volume": 62.80658374367992,
"volume_molar": 9.455752198979205,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26612426059833,
"spacegroup": 221
},
{
"id": "oqmd-642442",
"created_at": "2022-09-04T15:16:13.002252Z",
"updated_at": "2022-09-04T15:16:13.002277Z",
"structure_string": "Sc1 F3\n1.0\n3.974657 0.000000 0.000000\n0.000000 3.974657 0.000000\n0.000000 0.000000 3.974657\nF Sc\n3 1\ndirect\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 2.696138116177886,
"density_atomic": 0.0637031667521565,
"volume": 62.79122693479898,
"volume_molar": 9.45344017736157,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26594544559833,
"spacegroup": 221
},
{
"id": "oqmd-642439",
"created_at": "2022-09-04T15:16:11.671687Z",
"updated_at": "2022-09-04T15:16:11.671732Z",
"structure_string": "Sc1 F3\n1.0\n3.974653 0.000000 0.000000\n0.000000 3.974653 0.000000\n0.000000 0.000000 3.974653\nF Sc\n3 1\ndirect\n0.500001 0.000000 0.000000 F\n0.000000 0.500001 0.000000 F\n0.000000 0.000000 0.500001 F\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 2.696146256181543,
"density_atomic": 0.06370335908058626,
"volume": 62.791037360210545,
"volume_molar": 9.453411636240169,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26593426059833,
"spacegroup": 221
},
{
"id": "oqmd-642443",
"created_at": "2022-09-04T15:16:19.312541Z",
"updated_at": "2022-09-04T15:16:19.312554Z",
"structure_string": "Sc1 F3\n1.0\n3.974539 0.000000 0.000000\n0.000000 3.974539 0.000000\n0.000000 0.000000 3.974539\nF Sc\n3 1\ndirect\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 2.6963782600611252,
"density_atomic": 0.06370884076631278,
"volume": 62.78563464483996,
"volume_molar": 9.45259823842897,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26587115059833,
"spacegroup": 221
},
{
"id": "oqmd-642440",
"created_at": "2022-09-04T15:16:15.183406Z",
"updated_at": "2022-09-04T15:16:15.183422Z",
"structure_string": "Sc1 F3\n1.0\n3.974538 0.000000 0.000000\n0.000000 3.974538 0.000000\n0.000000 0.000000 3.974538\nF Sc\n3 1\ndirect\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 2.6963802953006466,
"density_atomic": 0.06370888885405793,
"volume": 62.78558725397108,
"volume_molar": 9.452591103566892,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26587059809833,
"spacegroup": 221
},
{
"id": "oqmd-642441",
"created_at": "2022-09-04T15:16:19.760342Z",
"updated_at": "2022-09-04T15:16:19.760368Z",
"structure_string": "Sc1 F3\n1.0\n3.974536 0.000000 0.000000\n0.000000 3.974536 0.000000\n0.000000 0.000000 3.974536\nF Sc\n3 1\ndirect\n0.500001 0.000000 0.000000 F\n0.000000 0.500001 0.000000 F\n0.000000 0.000000 0.500001 F\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Sc"
],
"chemical_system": "F-Sc",
"density": 2.6963843657858333,
"density_atomic": 0.06370898502969338,
"volume": 62.78549247230491,
"volume_molar": 9.452576833853515,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26586949309833,
"spacegroup": 221
},
{
"id": "oqmd-1385000",
"created_at": "2022-09-04T15:49:31.547590Z",
"updated_at": "2022-09-04T15:49:31.547612Z",
"structure_string": "Cs1 Tm3 F10\n1.0\n6.691853 -3.865268 0.000000\n6.691853 3.865268 0.000000\n-0.004266 0.000000 4.155344\nCs F Tm\n1 10 3\ndirect\n0.504960 0.504960 0.448468 Cs\n0.710304 0.710304 0.052845 F\n0.709888 0.093338 0.056722 F\n0.093338 0.709888 0.056722 F\n0.171450 0.171450 0.232221 F\n0.986192 0.537587 0.530009 F\n0.537587 0.986192 0.530009 F\n0.988190 0.988190 0.532028 F\n0.331802 0.331802 0.904613 F\n0.848957 0.331916 0.909393 F\n0.331916 0.848957 0.909393 F\n0.484670 0.014371 0.029677 Tm\n0.014371 0.484670 0.029677 Tm\n0.014279 0.014279 0.031923 Tm\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cs",
"F",
"Tm"
],
"chemical_system": "Cs-F-Tm",
"density": 6.409188987713967,
"density_atomic": 0.06512759691388845,
"volume": 214.96263739794924,
"volume_molar": 9.246680432509217,
"formula_full": "Cs1 Tm3 F10",
"formula_reduced": "CsTm3F10",
"formula_anonymous": "AB3C10",
"formation_energy": -4.26439292509365,
"spacegroup": 156
},
{
"id": "oqmd-1712518",
"created_at": "2022-09-04T16:00:27.237940Z",
"updated_at": "2022-09-04T16:00:27.237975Z",
"structure_string": "Pr1 F3\n1.0\n3.142645 1.814407 2.643314\n-3.142645 1.814407 2.643314\n0.000000 -3.628814 2.643314\nF Pr\n3 1\ndirect\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Pr"
],
"chemical_system": "F-Pr",
"density": 3.6338845280115195,
"density_atomic": 0.0442313247722957,
"volume": 90.43364675582588,
"volume_molar": 13.61510375509252,
"formula_full": "Pr1 F3",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"formation_energy": -4.26285318622333,
"spacegroup": 221
},
{
"id": "oqmd-643325",
"created_at": "2022-09-04T15:30:56.999265Z",
"updated_at": "2022-09-04T15:30:56.999280Z",
"structure_string": "Rb4 Th8 F36\n1.0\n8.803917 0.000000 0.000000\n0.000000 11.584052 0.000000\n0.000000 0.000000 7.087659\nF Rb Th\n36 4 8\ndirect\n0.286563 0.097797 0.031260 F\n0.286563 0.402204 0.031260 F\n0.992904 0.601742 0.073217 F\n0.992904 0.898258 0.073217 F\n0.278632 0.609178 0.147545 F\n0.278632 0.890822 0.147545 F\n0.823109 0.250000 0.165465 F\n0.562290 0.079262 0.189747 F\n0.562290 0.420738 0.189747 F\n0.062289 0.079262 0.310253 F\n0.062289 0.420738 0.310253 F\n0.323108 0.250000 0.334534 F\n0.778632 0.609178 0.352455 F\n0.778632 0.890822 0.352455 F\n0.492903 0.601742 0.426783 F\n0.492903 0.898258 0.426783 F\n0.786564 0.097797 0.468740 F\n0.786564 0.402204 0.468740 F\n0.213437 0.597796 0.531260 F\n0.213437 0.902204 0.531260 F\n0.507097 0.101742 0.573217 F\n0.507097 0.398258 0.573217 F\n0.221367 0.109178 0.647544 F\n0.221367 0.390822 0.647544 F\n0.676892 0.750000 0.665465 F\n0.937711 0.579262 0.689747 F\n0.937711 0.920737 0.689747 F\n0.437711 0.579262 0.810253 F\n0.437711 0.920737 0.810253 F\n0.176892 0.750000 0.834534 F\n0.721368 0.109178 0.852455 F\n0.721368 0.390822 0.852455 F\n0.007097 0.101742 0.926783 F\n0.007097 0.398258 0.926783 F\n0.713437 0.597796 0.968740 F\n0.713437 0.902204 0.968740 F\n0.530779 0.750000 0.133076 Rb\n0.030779 0.750000 0.366924 Rb\n0.969221 0.250000 0.633076 Rb\n0.469221 0.250000 0.866924 Rb\n0.825038 0.050349 0.151628 Th\n0.825038 0.449650 0.151628 Th\n0.325038 0.050349 0.348372 Th\n0.325038 0.449650 0.348372 Th\n0.674962 0.550350 0.651628 Th\n0.674962 0.949650 0.651628 Th\n0.174962 0.550350 0.848372 Th\n0.174962 0.949650 0.848372 Th\n",
"nsites": 48,
"nelements": 3,
"elements": [
"F",
"Rb",
"Th"
],
"chemical_system": "F-Rb-Th",
"density": 6.6209701825814475,
"density_atomic": 0.066405184055176,
"volume": 722.8351322709511,
"volume_molar": 9.068781068351846,
"formula_full": "Rb4 Th8 F36",
"formula_reduced": "RbTh2F9",
"formula_anonymous": "AB2C9",
"formation_energy": -4.261620864765,
"spacegroup": 62
},
{
"id": "oqmd-1729743",
"created_at": "2022-09-04T16:01:38.579110Z",
"updated_at": "2022-09-04T16:01:38.579129Z",
"structure_string": "Lu1 Sc1 F6\n1.0\n4.880515 0.000000 0.000000\n2.439521 4.250056 0.000000\n2.439592 1.403373 4.713644\nF Lu Sc\n6 1 1\ndirect\n0.938409 0.577518 0.244993 F\n0.240670 0.937106 0.245704 F\n0.577317 0.238960 0.246013 F\n0.422683 0.761040 0.753987 F\n0.759330 0.062894 0.754296 F\n0.061591 0.422482 0.755007 F\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Lu",
"Sc"
],
"chemical_system": "F-Lu-Sc",
"density": 5.6710799791150714,
"density_atomic": 0.08182252989904233,
"volume": 97.77258182887881,
"volume_molar": 7.36000312802658,
"formula_full": "Lu1 Sc1 F6",
"formula_reduced": "LuScF6",
"formula_anonymous": "ABC6",
"formation_energy": -4.258355613098329,
"spacegroup": 148
}
]
}