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=volume_molar&page=61",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=volume_molar&page=59",
"results": [
{
"id": "oqmd-323116",
"created_at": "2022-09-04T14:50:57.092199Z",
"updated_at": "2022-09-04T14:50:57.092226Z",
"structure_string": "H6 Pt2\n1.0\n3.741322 0.000000 0.000000\n-1.870661 3.240080 0.000000\n0.000000 0.000000 4.338782\nH Pt\n6 2\ndirect\n0.145638 0.291277 0.249999 H\n0.145639 0.854362 0.249999 H\n0.708723 0.854362 0.249999 H\n0.291277 0.145638 0.749999 H\n0.854361 0.145638 0.749999 H\n0.854361 0.708723 0.749999 H\n0.666665 0.333331 0.249999 Pt\n0.333333 0.666666 0.749999 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"Pt"
],
"chemical_system": "H-Pt",
"density": 12.509272730553027,
"density_atomic": 0.15210424548541945,
"volume": 52.59550760380894,
"volume_molar": 3.9592193766723467,
"formula_full": "H6 Pt2",
"formula_reduced": "H3Pt",
"formula_anonymous": "AB3",
"formation_energy": 0.513638080861869,
"spacegroup": 194
},
{
"id": "oqmd-305182",
"created_at": "2022-09-04T14:59:27.224442Z",
"updated_at": "2022-09-04T14:59:27.224462Z",
"structure_string": "Be1 N1\n1.0\n2.360735 0.000000 0.000000\n0.000000 2.360735 0.000000\n0.000000 0.000000 2.360735\nBe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"N"
],
"chemical_system": "Be-N",
"density": 2.905304170093135,
"density_atomic": 0.15201564236666348,
"volume": 13.156540793190064,
"volume_molar": 3.961527028563631,
"formula_full": "Be1 N1",
"formula_reduced": "BeN",
"formula_anonymous": "AB",
"formation_energy": 0.634851497328247,
"spacegroup": 221
},
{
"id": "oqmd-339148",
"created_at": "2022-09-04T15:24:54.549825Z",
"updated_at": "2022-09-04T15:24:54.549839Z",
"structure_string": "Co1 H1\n1.0\n1.668994 1.668994 0.000000\n0.000000 3.337987 0.000000\n0.000000 0.000000 2.362504\nCo H\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500002 0.499999 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"H"
],
"chemical_system": "Co-H",
"density": 7.562442590450205,
"density_atomic": 0.15195606084151908,
"volume": 13.161699434192876,
"volume_molar": 3.9630803316760925,
"formula_full": "Co1 H1",
"formula_reduced": "CoH",
"formula_anonymous": "AB",
"formation_energy": 0.600709903907912,
"spacegroup": 221
},
{
"id": "oqmd-5723",
"created_at": "2022-09-04T15:00:16.501891Z",
"updated_at": "2022-09-04T15:00:16.501899Z",
"structure_string": "H12 N4\n1.0\n4.722210 0.000000 0.000000\n0.000000 4.722210 0.000000\n0.000000 0.000000 4.722210\nH N\n12 4\ndirect\n0.355164 0.357388 0.022646 H\n0.977352 0.855165 0.142613 H\n0.642612 0.522645 0.144835 H\n0.357388 0.022646 0.355164 H\n0.022646 0.355164 0.357388 H\n0.644834 0.857387 0.477353 H\n0.144835 0.642612 0.522645 H\n0.522645 0.144835 0.642612 H\n0.857387 0.477353 0.644834 H\n0.142613 0.977352 0.855165 H\n0.477353 0.644834 0.857387 H\n0.855165 0.142613 0.977352 H\n0.036085 0.036085 0.036085 N\n0.963913 0.536088 0.463914 N\n0.463914 0.963913 0.536088 N\n0.536088 0.463914 0.963913 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 1.0742394761698264,
"density_atomic": 0.1519441881440845,
"volume": 105.30182296164983,
"volume_molar": 3.9633900009978467,
"formula_full": "H12 N4",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"formation_energy": -0.374266665474009,
"spacegroup": 198
},
{
"id": "oqmd-1723703",
"created_at": "2022-09-04T16:01:16.518566Z",
"updated_at": "2022-09-04T16:01:16.518596Z",
"structure_string": "V2 H6 Pd1\n1.0\n0.000000 3.093923 3.093923\n3.093923 0.000000 3.093923\n3.093923 3.093923 0.000000\nH Pd V\n6 1 2\ndirect\n0.715552 0.284448 0.284448 H\n0.284448 0.715552 0.284448 H\n0.715552 0.715552 0.284448 H\n0.284448 0.284448 0.715552 H\n0.715552 0.284448 0.715552 H\n0.284448 0.715552 0.715552 H\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n",
"nsites": 9,
"nelements": 3,
"elements": [
"H",
"Pd",
"V"
],
"chemical_system": "H-Pd-V",
"density": 6.00918235534501,
"density_atomic": 0.1519441593830168,
"volume": 59.23228662783305,
"volume_molar": 3.963390751216404,
"formula_full": "V2 H6 Pd1",
"formula_reduced": "V2H6Pd",
"formula_anonymous": "AB2C6",
"formation_energy": 0.2139278563216614,
"spacegroup": 225
},
{
"id": "oqmd-1666881",
"created_at": "2022-09-04T15:58:52.374421Z",
"updated_at": "2022-09-04T15:58:52.374456Z",
"structure_string": "Li2 Fe1 Ni1 H6\n1.0\n2.267852 1.309345 3.695856\n-2.267852 1.309345 3.695856\n0.000000 -2.618690 3.695856\nFe H Li Ni\n1 6 2 1\ndirect\n0.999576 0.999576 0.999576 Fe\n0.748678 0.274626 0.224034 H\n0.725791 0.774860 0.251439 H\n0.224034 0.748678 0.274626 H\n0.774860 0.251439 0.725791 H\n0.274626 0.224034 0.748678 H\n0.251439 0.725791 0.774860 H\n0.249964 0.249964 0.249964 Li\n0.749395 0.749395 0.749395 Li\n0.499627 0.499627 0.499627 Ni\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Fe",
"H",
"Li",
"Ni"
],
"chemical_system": "Fe-H-Li-Ni",
"density": 3.3910412823763347,
"density_atomic": 0.15186752132698866,
"volume": 65.84686384963656,
"volume_molar": 3.965390827070668,
"formula_full": "Li2 Fe1 Ni1 H6",
"formula_reduced": "Li2FeNiH6",
"formula_anonymous": "ABC2D6",
"formation_energy": -0.118025380310506,
"spacegroup": 148
},
{
"id": "oqmd-1729539",
"created_at": "2022-09-04T16:01:50.716615Z",
"updated_at": "2022-09-04T16:01:50.716642Z",
"structure_string": "Co2 Sn1 H6\n1.0\n0.000000 3.094626 3.094626\n3.094626 0.000000 3.094626\n3.094626 3.094626 0.000000\nCo H Sn\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.662613 0.337387 0.337387 H\n0.337387 0.662613 0.337387 H\n0.662613 0.662613 0.337387 H\n0.337387 0.337387 0.662613 H\n0.662613 0.337387 0.662613 H\n0.337387 0.662613 0.662613 H\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"H",
"Sn"
],
"chemical_system": "Co-H-Sn",
"density": 6.797174256071724,
"density_atomic": 0.15184063235208883,
"volume": 59.272672015292684,
"volume_molar": 3.9660930455267267,
"formula_full": "Co2 Sn1 H6",
"formula_reduced": "Co2SnH6",
"formula_anonymous": "AB2C6",
"formation_energy": 0.8763725422270833,
"spacegroup": 225
},
{
"id": "oqmd-1571431",
"created_at": "2022-09-04T15:57:58.452345Z",
"updated_at": "2022-09-04T15:57:58.452370Z",
"structure_string": "Li1 Ni2 H3\n1.0\n2.656025 0.000000 0.000000\n-1.328013 2.300185 0.000000\n0.000000 0.000000 6.469067\nH Li Ni\n3 1 2\ndirect\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.291155 H\n0.333333 0.666667 0.708845 H\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.169279 Ni\n0.666667 0.333333 0.830721 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"H",
"Li",
"Ni"
],
"chemical_system": "H-Li-Ni",
"density": 5.350778786912103,
"density_atomic": 0.15181499713097812,
"volume": 39.521787131633054,
"volume_molar": 3.9667627532241823,
"formula_full": "Li1 Ni2 H3",
"formula_reduced": "LiNi2H3",
"formula_anonymous": "AB2C3",
"formation_energy": -0.1715603577587542,
"spacegroup": 164
},
{
"id": "oqmd-307606",
"created_at": "2022-09-04T15:18:08.530551Z",
"updated_at": "2022-09-04T15:18:08.530578Z",
"structure_string": "Co1 H1\n1.0\n2.362075 0.000000 0.000000\n0.000000 2.362075 0.000000\n0.000000 0.000000 2.362075\nCo H\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.499997 0.499997 0.499997 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"H"
],
"chemical_system": "Co-H",
"density": 7.552539586772379,
"density_atomic": 0.1517570746791273,
"volume": 13.17895725275917,
"volume_molar": 3.9682767823069316,
"formula_full": "Co1 H1",
"formula_reduced": "CoH",
"formula_anonymous": "AB",
"formation_energy": 0.576106098907912,
"spacegroup": 221
},
{
"id": "oqmd-1729525",
"created_at": "2022-09-04T16:01:44.830039Z",
"updated_at": "2022-09-04T16:01:44.830064Z",
"structure_string": "Ca1 Fe2 H6\n1.0\n0.000000 3.095320 3.095320\n3.095320 0.000000 3.095320\n3.095320 3.095320 0.000000\nCa Fe H\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.677545 0.322455 0.322455 H\n0.322455 0.677545 0.322455 H\n0.677545 0.677545 0.322455 H\n0.322455 0.322455 0.677545 H\n0.677545 0.322455 0.677545 H\n0.322455 0.677545 0.677545 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"H"
],
"chemical_system": "Ca-Fe-H",
"density": 4.418272330509792,
"density_atomic": 0.15173852293463666,
"volume": 59.31255837963354,
"volume_molar": 3.9687619488652297,
"formula_full": "Ca1 Fe2 H6",
"formula_reduced": "Ca(FeH3)2",
"formula_anonymous": "AB2C6",
"formation_energy": 0.8571819785438832,
"spacegroup": 225
},
{
"id": "oqmd-690671",
"created_at": "2022-09-04T15:17:14.183241Z",
"updated_at": "2022-09-04T15:17:14.183267Z",
"structure_string": "Li4 B2 O6\n1.0\n-2.211465 -3.855844 0.002370\n-2.211465 3.855844 0.002370\n1.505851 0.000000 -4.638888\nB Li O\n2 4 6\ndirect\n0.833097 0.166901 0.000000 B\n0.166901 0.833097 0.000000 B\n0.499999 0.499999 0.000000 Li\n0.658125 0.341875 0.499999 Li\n0.341875 0.658125 0.499999 Li\n0.000000 0.000000 0.499999 Li\n0.941856 0.571045 0.208245 O\n0.571045 0.941856 0.208245 O\n0.201016 0.201016 0.210008 O\n0.798984 0.798984 0.789993 O\n0.428959 0.058148 0.791758 O\n0.058148 0.428959 0.791758 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"B",
"Li",
"O"
],
"chemical_system": "B-Li-O",
"density": 3.052591105607035,
"density_atomic": 0.15173611105918525,
"volume": 79.08466821928337,
"volume_molar": 3.9688250331201917,
"formula_full": "Li4 B2 O6",
"formula_reduced": "Li2BO3",
"formula_anonymous": "AB2C3",
"formation_energy": -1.63860025710604,
"spacegroup": 12
},
{
"id": "oqmd-309556",
"created_at": "2022-09-04T14:49:58.255921Z",
"updated_at": "2022-09-04T14:49:58.255933Z",
"structure_string": "Li1 B3\n1.0\n0.000000 2.362395 2.362395\n2.362395 0.000000 2.362395\n2.362395 2.362395 0.000000\nB Li\n3 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250001 0.250001 0.250001 B\n0.499999 0.499999 0.499999 B\n0.749999 0.749999 0.749999 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Li"
],
"chemical_system": "B-Li",
"density": 2.479539861252967,
"density_atomic": 0.1516954139244828,
"volume": 26.36862840158955,
"volume_molar": 3.9698897970626517,
"formula_full": "Li1 B3",
"formula_reduced": "LiB3",
"formula_anonymous": "AB3",
"formation_energy": 1.0787154,
"spacegroup": 225
}
]
}