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_atomic&page=63",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density_atomic&page=61",
"results": [
{
"id": "oqmd-1368734",
"created_at": "2022-09-04T15:46:59.507012Z",
"updated_at": "2022-09-04T15:46:59.507040Z",
"structure_string": "Li1 Ni1 H3\n1.0\n3.208984 0.000000 0.000000\n0.000000 3.208984 0.000000\n0.000000 0.000000 3.208984\nH Li Ni\n3 1 1\ndirect\n0.499999 0.499999 0.000000 H\n0.499999 0.000000 0.499999 H\n0.000000 0.499999 0.499999 H\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.499999 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"H",
"Li",
"Ni"
],
"chemical_system": "H-Li-Ni",
"density": 3.4501579858652263,
"density_atomic": 0.15130990172989256,
"volume": 33.04476404277651,
"volume_molar": 3.980004408931736,
"formula_full": "Li1 Ni1 H3",
"formula_reduced": "LiNiH3",
"formula_anonymous": "ABC3",
"formation_energy": -0.250865033310505,
"spacegroup": 221
},
{
"id": "oqmd-1277540",
"created_at": "2022-09-04T15:42:01.583256Z",
"updated_at": "2022-09-04T15:42:01.583273Z",
"structure_string": "Fe8 Co12 Si12 O48\n1.0\n-5.094289 5.094289 5.094289\n5.094289 -5.094289 5.094289\n5.094289 5.094289 -5.094289\nCo Fe O Si\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Co\n0.375000 0.750000 0.125000 Co\n0.375000 0.125000 0.250000 Co\n0.875000 0.625000 0.250000 Co\n0.750000 0.125000 0.375000 Co\n0.125000 0.250000 0.375000 Co\n0.875000 0.750000 0.625000 Co\n0.250000 0.875000 0.625000 Co\n0.125000 0.375000 0.750000 Co\n0.625000 0.875000 0.750000 Co\n0.625000 0.250000 0.875000 Co\n0.750000 0.625000 0.875000 Co\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.204000 0.116050 0.009310 O\n0.305310 0.893260 0.009310 O\n0.883950 0.393260 0.087950 O\n0.704000 0.694690 0.087950 O\n0.616050 0.412050 0.106740 O\n0.990690 0.694690 0.106740 O\n0.009310 0.204000 0.116050 O\n0.606740 0.912050 0.116050 O\n0.204000 0.587950 0.194690 O\n0.490690 0.606740 0.194690 O\n0.116050 0.009310 0.204000 O\n0.587950 0.194690 0.204000 O\n0.490690 0.383950 0.296000 O\n0.305310 0.912050 0.296000 O\n0.893260 0.009310 0.305310 O\n0.912050 0.296000 0.305310 O\n0.296000 0.490690 0.383950 O\n0.587950 0.893260 0.383950 O\n0.805310 0.509310 0.393260 O\n0.087950 0.883950 0.393260 O\n0.106740 0.616050 0.412050 O\n0.805310 0.796000 0.412050 O\n0.606740 0.194690 0.490690 O\n0.383950 0.296000 0.490690 O\n0.616050 0.704000 0.509310 O\n0.393260 0.805310 0.509310 O\n0.194690 0.204000 0.587950 O\n0.893260 0.383950 0.587950 O\n0.912050 0.116050 0.606740 O\n0.194690 0.490690 0.606740 O\n0.412050 0.106740 0.616050 O\n0.704000 0.509310 0.616050 O\n0.087950 0.704000 0.694690 O\n0.106740 0.990690 0.694690 O\n0.694690 0.087950 0.704000 O\n0.509310 0.616050 0.704000 O\n0.412050 0.805310 0.796000 O\n0.883950 0.990690 0.796000 O\n0.509310 0.393260 0.805310 O\n0.796000 0.412050 0.805310 O\n0.393260 0.087950 0.883950 O\n0.990690 0.796000 0.883950 O\n0.009310 0.305310 0.893260 O\n0.383950 0.587950 0.893260 O\n0.296000 0.305310 0.912050 O\n0.116050 0.606740 0.912050 O\n0.694690 0.106740 0.990690 O\n0.796000 0.883950 0.990690 O\n0.875000 0.250000 0.125000 Si\n0.750000 0.875000 0.125000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.750000 0.875000 Si\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Co",
"Fe",
"O",
"Si"
],
"chemical_system": "Co-Fe-O-Si",
"density": 7.093262837033752,
"density_atomic": 0.1512792138159785,
"volume": 528.8234780048163,
"volume_molar": 3.9808117771722094,
"formula_full": "Fe8 Co12 Si12 O48",
"formula_reduced": "Fe2Co3(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.14108855415903,
"spacegroup": 230
},
{
"id": "oqmd-310624",
"created_at": "2022-09-04T14:50:12.363653Z",
"updated_at": "2022-09-04T14:50:12.363684Z",
"structure_string": "B1 C3\n1.0\n0.000000 2.364660 2.364660\n2.364660 0.000000 2.364660\n2.364660 2.364660 0.000000\nB C\n1 3\ndirect\n0.750000 0.750000 0.750000 B\n0.000000 0.000000 0.000000 C\n0.250000 0.250000 0.250000 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.9414306602156994,
"density_atomic": 0.15125992496414756,
"volume": 26.4445457112854,
"volume_molar": 3.9813194151903746,
"formula_full": "B1 C3",
"formula_reduced": "BC3",
"formula_anonymous": "AB3",
"formation_energy": 3.662565744375,
"spacegroup": 225
},
{
"id": "oqmd-1729541",
"created_at": "2022-09-04T16:01:44.892745Z",
"updated_at": "2022-09-04T16:01:44.892771Z",
"structure_string": "Cr2 H6 C1\n1.0\n0.000000 3.098618 3.098618\n3.098618 0.000000 3.098618\n3.098618 3.098618 0.000000\nC Cr H\n1 2 6\ndirect\n0.000000 0.000000 0.000000 C\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cr\n0.766038 0.233962 0.233962 H\n0.233962 0.766038 0.233962 H\n0.766038 0.766038 0.233962 H\n0.766038 0.233962 0.766038 H\n0.233962 0.233962 0.766038 H\n0.233962 0.766038 0.766038 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"C",
"Cr",
"H"
],
"chemical_system": "C-Cr-H",
"density": 3.4060787820251193,
"density_atomic": 0.15125453181021392,
"volume": 59.50234939930737,
"volume_molar": 3.9814613737036715,
"formula_full": "Cr2 H6 C1",
"formula_reduced": "Cr2H6C",
"formula_anonymous": "AB2C6",
"formation_energy": 0.9650576699327726,
"spacegroup": 225
},
{
"id": "oqmd-5450",
"created_at": "2022-09-04T15:00:23.376986Z",
"updated_at": "2022-09-04T15:00:23.377011Z",
"structure_string": "H8 O8\n1.0\n3.805787 0.000000 0.000000\n0.000000 3.805787 0.000000\n0.000000 0.000000 7.303807\nH O\n8 8\ndirect\n0.939509 0.299003 0.115433 H\n0.560491 0.799002 0.134565 H\n0.200999 0.439510 0.365434 H\n0.700998 0.060492 0.384567 H\n0.060492 0.700998 0.615434 H\n0.439510 0.200999 0.634568 H\n0.799002 0.560491 0.865435 H\n0.299003 0.939509 0.884566 H\n0.419388 0.672957 0.035206 O\n0.080614 0.172958 0.214793 O\n0.827043 0.919389 0.285206 O\n0.327044 0.580613 0.464795 O\n0.580613 0.327044 0.535206 O\n0.919389 0.827043 0.714793 O\n0.172958 0.080614 0.785207 O\n0.672957 0.419388 0.964794 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 2.135685175906357,
"density_atomic": 0.15124524767304082,
"volume": 105.78844787631613,
"volume_molar": 3.9817057743318673,
"formula_full": "H8 O8",
"formula_reduced": "HO",
"formula_anonymous": "AB",
"formation_energy": -0.709080405281465,
"spacegroup": 92
},
{
"id": "oqmd-824844",
"created_at": "2022-09-04T15:22:19.797930Z",
"updated_at": "2022-09-04T15:22:19.797948Z",
"structure_string": "B4 H8 O11\n1.0\n-3.800152 -7.899929 0.096729\n-2.344528 4.159359 0.174931\n1.693721 -0.147424 -4.520549\nB H O\n4 8 11\ndirect\n0.075872 0.944900 0.014897 B\n0.001131 0.393719 0.024723 B\n0.378561 0.107858 0.869462 B\n0.713081 0.727814 0.975577 B\n0.738011 0.192099 0.156711 H\n0.632635 0.537774 0.302078 H\n0.215590 0.485244 0.389895 H\n0.481691 0.942266 0.454508 H\n0.875162 0.003111 0.479041 H\n0.782993 0.458059 0.668312 H\n0.072164 0.555785 0.681586 H\n0.420228 0.689211 0.775384 H\n0.781850 0.107730 0.001556 O\n0.108040 0.287611 0.183750 O\n0.079535 0.752386 0.191906 O\n0.455918 0.194775 0.211077 O\n0.767568 0.742791 0.281157 O\n0.544597 0.030003 0.294815 O\n0.379285 0.810691 0.677573 O\n0.988695 0.315793 0.709608 O\n0.183179 0.994749 0.810302 O\n0.844529 0.704733 0.816348 O\n0.508757 0.449860 0.821495 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"B",
"H",
"O"
],
"chemical_system": "B-H-O",
"density": 2.4816387331803385,
"density_atomic": 0.15122239221575853,
"volume": 152.09387752036383,
"volume_molar": 3.982307561573178,
"formula_full": "B4 H8 O11",
"formula_reduced": "B4H8O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.63811321226694,
"spacegroup": 1
},
{
"id": "oqmd-318730",
"created_at": "2022-09-04T14:51:25.223241Z",
"updated_at": "2022-09-04T14:51:25.223274Z",
"structure_string": "Mg2 H6\n1.0\n4.413882 0.000000 0.000000\n-2.206941 3.822534 0.000000\n0.000000 0.000000 3.136527\nH Mg\n6 2\ndirect\n0.166018 0.332036 0.249999 H\n0.166018 0.833983 0.249999 H\n0.667966 0.833983 0.249999 H\n0.332035 0.166018 0.749998 H\n0.833983 0.166018 0.749998 H\n0.833982 0.667965 0.749998 H\n0.666667 0.333334 0.249999 Mg\n0.333334 0.666668 0.749998 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"Mg"
],
"chemical_system": "H-Mg",
"density": 1.715058219822948,
"density_atomic": 0.15117113750155423,
"volume": 52.92015481406132,
"volume_molar": 3.983657766640862,
"formula_full": "Mg2 H6",
"formula_reduced": "MgH3",
"formula_anonymous": "AB3",
"formation_energy": 0.387382422320201,
"spacegroup": 194
},
{
"id": "oqmd-1589296",
"created_at": "2022-09-04T15:57:17.808091Z",
"updated_at": "2022-09-04T15:57:17.808121Z",
"structure_string": "V2 H4\n1.0\n0.000000 2.707489 2.707489\n2.707489 0.000000 2.707489\n2.707489 2.707489 0.000000\nH V\n4 2\ndirect\n0.125000 0.125000 0.125000 H\n0.625000 0.125000 0.125000 H\n0.125000 0.625000 0.125000 H\n0.125000 0.125000 0.625000 H\n0.500000 0.500000 0.500000 V\n0.750000 0.750000 0.750000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"V"
],
"chemical_system": "H-V",
"density": 4.430732039690127,
"density_atomic": 0.15115452476355562,
"volume": 39.694478279003135,
"volume_molar": 3.9840955931819906,
"formula_full": "V2 H4",
"formula_reduced": "VH2",
"formula_anonymous": "AB2",
"formation_energy": 0.6677214002105506,
"spacegroup": 227
},
{
"id": "oqmd-1603092",
"created_at": "2022-09-04T16:00:00.587891Z",
"updated_at": "2022-09-04T16:00:00.587909Z",
"structure_string": "C5 N1\n1.0\n4.448058 0.000000 0.000000\n-2.224029 3.852131 0.000000\n0.000000 0.000000 2.317293\nC N\n5 1\ndirect\n0.666667 0.333333 0.000000 C\n0.333333 0.666667 0.000000 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.097287636066325,
"density_atomic": 0.1511119504811888,
"volume": 39.705661801691264,
"volume_molar": 3.9852180723123336,
"formula_full": "C5 N1",
"formula_reduced": "C5N",
"formula_anonymous": "AB5",
"formation_energy": 3.4786314778594147,
"spacegroup": 191
},
{
"id": "oqmd-1446306",
"created_at": "2022-09-04T15:50:59.942237Z",
"updated_at": "2022-09-04T15:50:59.942256Z",
"structure_string": "Li3 B3 C3\n1.0\n4.655467 0.000000 0.000000\n-2.327733 4.031753 0.000000\n0.000000 0.000000 3.174559\nB C Li\n3 3 3\ndirect\n0.308504 0.000000 0.000000 B\n0.000000 0.308504 0.000000 B\n0.691496 0.691496 0.000000 B\n0.666667 0.333333 0.000000 C\n0.333333 0.666667 0.000000 C\n0.000000 0.000000 0.500000 C\n0.590192 0.000000 0.500000 Li\n0.409808 0.409808 0.500000 Li\n0.000000 0.590192 0.500000 Li\n",
"nsites": 9,
"nelements": 3,
"elements": [
"B",
"C",
"Li"
],
"chemical_system": "B-C-Li",
"density": 2.4882963684358574,
"density_atomic": 0.15104346368269012,
"volume": 59.58549797895967,
"volume_molar": 3.987025067599896,
"formula_full": "Li3 B3 C3",
"formula_reduced": "LiBC",
"formula_anonymous": "ABC",
"formation_energy": 0.3353425819444445,
"spacegroup": 189
},
{
"id": "oqmd-1589290",
"created_at": "2022-09-04T15:57:17.551461Z",
"updated_at": "2022-09-04T15:57:17.551493Z",
"structure_string": "P2 H4\n1.0\n0.000000 2.708430 2.708430\n2.708430 0.000000 2.708430\n2.708430 2.708430 0.000000\nH P\n4 2\ndirect\n0.125000 0.125000 0.125000 H\n0.625000 0.125000 0.125000 H\n0.125000 0.625000 0.125000 H\n0.125000 0.125000 0.625000 H\n0.500000 0.500000 0.500000 P\n0.750000 0.750000 0.750000 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"P"
],
"chemical_system": "H-P",
"density": 2.7572354475949084,
"density_atomic": 0.1509970309433757,
"volume": 39.73588064953421,
"volume_molar": 3.988251108234254,
"formula_full": "P2 H4",
"formula_reduced": "PH2",
"formula_anonymous": "AB2",
"formation_energy": 1.0321293822239042,
"spacegroup": 227
},
{
"id": "oqmd-347013",
"created_at": "2022-09-04T14:51:10.471502Z",
"updated_at": "2022-09-04T14:51:10.471523Z",
"structure_string": "B3 N1\n1.0\n2.981204 0.000000 0.000000\n0.000000 2.981204 0.000000\n0.000000 0.000000 2.981204\nB N\n3 1\ndirect\n0.499999 0.499999 0.000000 B\n0.499999 0.000000 0.499999 B\n0.000000 0.499999 0.499999 B\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.910471944080735,
"density_atomic": 0.15096800135523775,
"volume": 26.495680966112374,
"volume_molar": 3.9890180077495376,
"formula_full": "B3 N1",
"formula_reduced": "B3N",
"formula_anonymous": "AB3",
"formation_energy": 2.23067291866412,
"spacegroup": 221
}
]
}