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=density&page=68",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=density&page=66",
"results": [
{
"id": "oqmd-880308",
"created_at": "2022-09-04T15:32:46.016345Z",
"updated_at": "2022-09-04T15:32:46.016371Z",
"structure_string": "K1 Li1 Be1\n1.0\n0.000000 3.523861 3.523861\n3.523861 0.000000 3.523861\n3.523861 3.523861 0.000000\nBe K Li\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Li\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"K",
"Li"
],
"chemical_system": "Be-K-Li",
"density": 1.0445561949161788,
"density_atomic": 0.03427953732302288,
"volume": 87.51576696413387,
"volume_molar": 17.567742245912402,
"formula_full": "K1 Li1 Be1",
"formula_reduced": "KLiBe",
"formula_anonymous": "ABC",
"formation_energy": 0.917592221666667,
"spacegroup": 216
},
{
"id": "oqmd-1236728",
"created_at": "2022-09-04T15:40:28.472243Z",
"updated_at": "2022-09-04T15:40:28.472270Z",
"structure_string": "H4 S2\n1.0\n0.000000 3.783278 3.783278\n3.783278 0.000000 3.783278\n3.783278 3.783278 0.000000\nH S\n4 2\ndirect\n0.625000 0.625000 0.125000 H\n0.625000 0.125000 0.625000 H\n0.125000 0.625000 0.625000 H\n0.625000 0.625000 0.625000 H\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 1.0450934664402909,
"density_atomic": 0.055400857880736086,
"volume": 108.30157202468722,
"volume_molar": 10.870121854365745,
"formula_full": "H4 S2",
"formula_reduced": "H2S",
"formula_anonymous": "AB2",
"formation_energy": -0.0473176861272358,
"spacegroup": 227
},
{
"id": "oqmd-310213",
"created_at": "2022-09-04T14:50:10.734549Z",
"updated_at": "2022-09-04T14:50:10.734574Z",
"structure_string": "K3 Ca1\n1.0\n0.000000 4.996701 4.996701\n4.996701 0.000000 4.996701\n4.996701 4.996701 0.000000\nCa K\n1 3\ndirect\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"K"
],
"chemical_system": "Ca-K",
"density": 1.0473671849331894,
"density_atomic": 0.016031712238262923,
"volume": 249.5054764302213,
"volume_molar": 37.56392748634137,
"formula_full": "K3 Ca1",
"formula_reduced": "K3Ca",
"formula_anonymous": "AB3",
"formation_energy": 0.15277656125,
"spacegroup": 225
},
{
"id": "oqmd-1238350",
"created_at": "2022-09-04T15:40:45.246746Z",
"updated_at": "2022-09-04T15:40:45.246777Z",
"structure_string": "Mg4 In2\n1.0\n4.507327 2.602307 7.360434\n-4.507327 2.602307 7.360434\n0.000000 -5.204613 7.360434\nIn Mg\n2 4\ndirect\n0.500001 0.500001 0.500001 In\n0.750000 0.750000 0.750000 In\n0.625000 0.625000 0.125002 Mg\n0.625000 0.125002 0.625000 Mg\n0.125002 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"Mg"
],
"chemical_system": "In-Mg",
"density": 1.047787818142318,
"density_atomic": 0.011582946122415182,
"volume": 518.0029274580558,
"volume_molar": 51.991442387408014,
"formula_full": "Mg4 In2",
"formula_reduced": "Mg2In",
"formula_anonymous": "AB2",
"formation_energy": 0.73620370222222,
"spacegroup": 227
},
{
"id": "oqmd-1603176",
"created_at": "2022-09-04T15:59:50.809037Z",
"updated_at": "2022-09-04T15:59:50.809063Z",
"structure_string": "K5 O1\n1.0\n7.103842 0.000000 0.000000\n-3.551921 6.152108 0.000000\n0.000000 0.000000 7.665693\nK O\n5 1\ndirect\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 1.0482674871486302,
"density_atomic": 0.01790946380365902,
"volume": 335.0184051168613,
"volume_molar": 33.62546654674072,
"formula_full": "K5 O1",
"formula_reduced": "K5O",
"formula_anonymous": "AB5",
"formation_energy": 0.2933447531868743,
"spacegroup": 191
},
{
"id": "oqmd-1713224",
"created_at": "2022-09-04T16:00:22.080362Z",
"updated_at": "2022-09-04T16:00:22.080396Z",
"structure_string": "Li1 Be1 H3\n1.0\n3.109123 0.000000 0.000000\n0.000000 3.109123 0.000000\n0.000000 0.000000 3.109123\nBe H Li\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 Li\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"H",
"Li"
],
"chemical_system": "Be-H-Li",
"density": 1.0484868556748925,
"density_atomic": 0.16636282780773376,
"volume": 30.05479088019904,
"volume_molar": 3.619883623858459,
"formula_full": "Li1 Be1 H3",
"formula_reduced": "LiBeH3",
"formula_anonymous": "ABC3",
"formation_energy": -0.1061811853105048,
"spacegroup": 221
},
{
"id": "oqmd-1241001",
"created_at": "2022-09-04T15:40:56.537509Z",
"updated_at": "2022-09-04T15:40:56.537531Z",
"structure_string": "Mg4 Ni2\n1.0\n3.916627 2.261266 6.395826\n-3.916627 2.261266 6.395826\n0.000000 -4.522532 6.395826\nMg Ni\n4 2\ndirect\n0.375000 0.375000 0.375000 Mg\n0.875002 0.375000 0.375000 Mg\n0.375000 0.875002 0.375000 Mg\n0.375000 0.375000 0.875002 Mg\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 1.0485299002795723,
"density_atomic": 0.017653852495077886,
"volume": 339.86915896532355,
"volume_molar": 34.1123319211999,
"formula_full": "Mg4 Ni2",
"formula_reduced": "Mg2Ni",
"formula_anonymous": "AB2",
"formation_energy": 0.988178828888887,
"spacegroup": 227
},
{
"id": "oqmd-1237937",
"created_at": "2022-09-04T15:40:44.425487Z",
"updated_at": "2022-09-04T15:40:44.425516Z",
"structure_string": "H4 F2\n1.0\n2.274070 1.312935 3.713541\n-2.274070 1.312935 3.713541\n0.000000 -2.625870 3.713541\nF H\n2 4\ndirect\n0.500001 0.500001 0.500001 F\n0.750000 0.750000 0.750000 F\n0.625001 0.625001 0.124998 H\n0.625001 0.124998 0.625001 H\n0.124998 0.625001 0.625001 H\n0.625001 0.625001 0.625001 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"F",
"H"
],
"chemical_system": "F-H",
"density": 1.0490764683483922,
"density_atomic": 0.09019131562737712,
"volume": 66.52525199642093,
"volume_molar": 6.677073860281965,
"formula_full": "H4 F2",
"formula_reduced": "H2F",
"formula_anonymous": "AB2",
"formation_energy": 0.151305407166848,
"spacegroup": 227
},
{
"id": "oqmd-1343960",
"created_at": "2022-09-04T15:45:56.722104Z",
"updated_at": "2022-09-04T15:45:56.722133Z",
"structure_string": "H8 Cl8\n1.0\n5.817879 -5.782579 0.000000\n5.817879 5.782579 0.000000\n-5.804370 0.000000 6.857977\nCl H\n8 8\ndirect\n0.760616 0.242494 0.003256 Cl\n0.249350 0.250972 0.016957 Cl\n0.749028 0.750650 0.483043 Cl\n0.757506 0.239384 0.496744 Cl\n0.242494 0.760616 0.503256 Cl\n0.250972 0.249350 0.516957 Cl\n0.750650 0.749028 0.983043 Cl\n0.239384 0.757506 0.996744 Cl\n0.241286 0.555911 0.000998 H\n0.452764 0.249014 0.016714 H\n0.750986 0.547236 0.483286 H\n0.444089 0.758714 0.499002 H\n0.555911 0.241286 0.500998 H\n0.249014 0.452764 0.516714 H\n0.547236 0.750986 0.983286 H\n0.758714 0.444089 0.999002 H\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cl",
"H"
],
"chemical_system": "Cl-H",
"density": 1.049674546830619,
"density_atomic": 0.0346743000887399,
"volume": 461.43685551120393,
"volume_molar": 17.367735598376573,
"formula_full": "H8 Cl8",
"formula_reduced": "HCl",
"formula_anonymous": "AB",
"formation_energy": -0.672316616401649,
"spacegroup": 15
},
{
"id": "oqmd-1603102",
"created_at": "2022-09-04T16:00:02.929535Z",
"updated_at": "2022-09-04T16:00:02.929577Z",
"structure_string": "K5 N1\n1.0\n7.073116 0.000000 0.000000\n-3.536558 6.125498 0.000000\n0.000000 0.000000 7.645596\nK N\n5 1\ndirect\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"N"
],
"chemical_system": "K-N",
"density": 1.0501851297246347,
"density_atomic": 0.018112888828962278,
"volume": 331.2558287447818,
"volume_molar": 33.24782047119217,
"formula_full": "K5 N1",
"formula_reduced": "K5N",
"formula_anonymous": "AB5",
"formation_energy": 1.0229099216094155,
"spacegroup": 191
},
{
"id": "oqmd-881684",
"created_at": "2022-09-04T15:37:46.674583Z",
"updated_at": "2022-09-04T15:37:46.674593Z",
"structure_string": "Na1 Li1 Be1\n1.0\n0.000000 3.134045 3.134045\n3.134045 0.000000 3.134045\n3.134045 3.134045 0.000000\nBe Li Na\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Na\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Li",
"Na"
],
"chemical_system": "Be-Li-Na",
"density": 1.0503457420302345,
"density_atomic": 0.04872766212719319,
"volume": 61.566672174198274,
"volume_molar": 12.35877219859324,
"formula_full": "Na1 Li1 Be1",
"formula_reduced": "NaLiBe",
"formula_anonymous": "ABC",
"formation_energy": 0.745017566382784,
"spacegroup": 216
},
{
"id": "oqmd-1237248",
"created_at": "2022-09-04T15:40:41.956678Z",
"updated_at": "2022-09-04T15:40:41.956705Z",
"structure_string": "Sr4 Be2\n1.0\n4.686818 2.705936 7.653543\n-4.686818 2.705936 7.653543\n0.000000 -5.411872 7.653543\nBe Sr\n2 4\ndirect\n0.250001 0.250001 0.250001 Be\n0.499999 0.499999 0.499999 Be\n0.374999 0.374999 0.374999 Sr\n0.874999 0.374999 0.374999 Sr\n0.374999 0.874999 0.374999 Sr\n0.374999 0.374999 0.874999 Sr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"Sr"
],
"chemical_system": "Be-Sr",
"density": 1.0507087431337372,
"density_atomic": 0.010302481982711125,
"volume": 582.3839352564521,
"volume_molar": 58.45330057461803,
"formula_full": "Sr4 Be2",
"formula_reduced": "Sr2Be",
"formula_anonymous": "AB2",
"formation_energy": 1.10277293,
"spacegroup": 227
}
]
}