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=48",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formation_energy&page=46",
"results": [
{
"id": "oqmd-1239623",
"created_at": "2022-09-04T15:40:50.959921Z",
"updated_at": "2022-09-04T15:40:50.959949Z",
"structure_string": "Ta4 Sn2\n1.0\n4.443351 2.565370 7.255963\n-4.443351 2.565370 7.255963\n0.000000 -5.130740 7.255963\nSn Ta\n2 4\ndirect\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 Sn\n0.375001 0.375001 0.375001 Ta\n0.875000 0.375001 0.375001 Ta\n0.375001 0.875000 0.375001 Ta\n0.375001 0.375001 0.875000 Ta\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sn",
"Ta"
],
"chemical_system": "Sn-Ta",
"density": 3.216333851054392,
"density_atomic": 0.012090501280444086,
"volume": 496.25733961128356,
"volume_molar": 49.80885920537122,
"formula_full": "Ta4 Sn2",
"formula_reduced": "Ta2Sn",
"formula_anonymous": "AB2",
"formation_energy": 3.82931513271627,
"spacegroup": 227
},
{
"id": "oqmd-1237624",
"created_at": "2022-09-04T15:40:43.005809Z",
"updated_at": "2022-09-04T15:40:43.005821Z",
"structure_string": "Cr2 Os4\n1.0\n3.562459 2.056787 5.817471\n-3.562459 2.056787 5.817471\n0.000000 -4.113573 5.817471\nCr Os\n2 4\ndirect\n0.250001 0.250001 0.250001 Cr\n0.500000 0.500000 0.500000 Cr\n0.375000 0.375000 0.375000 Os\n0.875000 0.375000 0.375000 Os\n0.375000 0.875000 0.375000 Os\n0.375000 0.375000 0.875000 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Os"
],
"chemical_system": "Cr-Os",
"density": 5.615604586532644,
"density_atomic": 0.02345992664986431,
"volume": 255.75527534885552,
"volume_molar": 25.669904471056103,
"formula_full": "Cr2 Os4",
"formula_reduced": "CrOs2",
"formula_anonymous": "AB2",
"formation_energy": 3.82903016833333,
"spacegroup": 227
},
{
"id": "oqmd-1237799",
"created_at": "2022-09-04T15:40:45.675368Z",
"updated_at": "2022-09-04T15:40:45.675379Z",
"structure_string": "Pm2 Os4\n1.0\n4.458946 2.574374 7.260219\n-4.458946 2.574374 7.260219\n0.000000 -5.148747 7.260219\nOs Pm\n4 2\ndirect\n0.624999 0.624999 0.125001 Os\n0.624999 0.125001 0.624999 Os\n0.125001 0.624999 0.624999 Os\n0.625000 0.625000 0.625000 Os\n0.499961 0.499961 0.499961 Pm\n0.750041 0.750041 0.750041 Pm\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Os",
"Pm"
],
"chemical_system": "Os-Pm",
"density": 3.4899080604243067,
"density_atomic": 0.011999039462526178,
"volume": 500.04002559858316,
"volume_molar": 50.188523663144515,
"formula_full": "Pm2 Os4",
"formula_reduced": "PmOs2",
"formula_anonymous": "AB2",
"formation_energy": 3.8271102225,
"spacegroup": 227
},
{
"id": "oqmd-1241621",
"created_at": "2022-09-04T15:41:26.131366Z",
"updated_at": "2022-09-04T15:41:26.131392Z",
"structure_string": "Rb2 B4\n1.0\n0.000000 7.414619 7.414619\n7.414619 0.000000 7.414619\n7.414619 7.414619 0.000000\nB Rb\n4 2\ndirect\n0.625000 0.625000 0.125001 B\n0.625000 0.125001 0.625000 B\n0.125001 0.625000 0.625000 B\n0.625000 0.625000 0.625000 B\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Rb"
],
"chemical_system": "B-Rb",
"density": 0.4362452244176163,
"density_atomic": 0.007359608893363946,
"volume": 815.2607138417524,
"volume_molar": 81.82691291421857,
"formula_full": "Rb2 B4",
"formula_reduced": "RbB2",
"formula_anonymous": "AB2",
"formation_energy": 3.82647537166667,
"spacegroup": 227
},
{
"id": "oqmd-1240200",
"created_at": "2022-09-04T15:40:51.637096Z",
"updated_at": "2022-09-04T15:40:51.637115Z",
"structure_string": "Gd2 Os4\n1.0\n4.389696 2.534392 7.168344\n-4.389696 2.534392 7.168344\n0.000000 -5.068785 7.168344\nGd Os\n2 4\ndirect\n0.250001 0.250001 0.250001 Gd\n0.500000 0.500000 0.500000 Gd\n0.375000 0.375000 0.375000 Os\n0.874999 0.375000 0.375000 Os\n0.375000 0.874999 0.375000 Os\n0.375000 0.375000 0.874999 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"Os"
],
"chemical_system": "Gd-Os",
"density": 3.732061797605596,
"density_atomic": 0.012539287800840458,
"volume": 478.4960753191935,
"volume_molar": 48.02617864466242,
"formula_full": "Gd2 Os4",
"formula_reduced": "GdOs2",
"formula_anonymous": "AB2",
"formation_energy": 3.82523550583333,
"spacegroup": 227
},
{
"id": "oqmd-1237932",
"created_at": "2022-09-04T15:40:43.797274Z",
"updated_at": "2022-09-04T15:40:43.797288Z",
"structure_string": "Mg2 C4\n1.0\n3.447994 1.990701 5.630551\n-3.447994 1.990701 5.630551\n0.000000 -3.981401 5.630551\nC Mg\n4 2\ndirect\n0.375001 0.375001 0.375001 C\n0.875001 0.375001 0.375001 C\n0.375001 0.875001 0.375001 C\n0.375001 0.375001 0.875001 C\n0.249999 0.249999 0.249999 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"Mg"
],
"chemical_system": "C-Mg",
"density": 0.6921319972617329,
"density_atomic": 0.025874778465500233,
"volume": 231.88604331434234,
"volume_molar": 23.274173218640446,
"formula_full": "Mg2 C4",
"formula_reduced": "MgC2",
"formula_anonymous": "AB2",
"formation_energy": 3.82367291361111,
"spacegroup": 227
},
{
"id": "oqmd-1237150",
"created_at": "2022-09-04T15:40:41.584304Z",
"updated_at": "2022-09-04T15:40:41.584324Z",
"structure_string": "Ta4 Bi2\n1.0\n4.588271 2.649040 7.492616\n-4.588271 2.649040 7.492616\n0.000000 -5.298079 7.492616\nBi Ta\n2 4\ndirect\n0.249999 0.249999 0.249999 Bi\n0.500000 0.500000 0.500000 Bi\n0.375000 0.375000 0.375000 Ta\n0.875001 0.375000 0.375000 Ta\n0.375000 0.875001 0.375000 Ta\n0.375000 0.375000 0.875001 Ta\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"Ta"
],
"chemical_system": "Bi-Ta",
"density": 3.469754534423341,
"density_atomic": 0.010980674100754153,
"volume": 546.4145411243851,
"volume_molar": 54.843087999364265,
"formula_full": "Ta4 Bi2",
"formula_reduced": "Ta2Bi",
"formula_anonymous": "AB2",
"formation_energy": 3.82191041666667,
"spacegroup": 227
},
{
"id": "oqmd-1533411",
"created_at": "2022-09-04T15:55:01.610925Z",
"updated_at": "2022-09-04T15:55:01.610950Z",
"structure_string": "K2 Mo2 W6\n1.0\n4.267582 -7.396108 0.000000\n4.267582 7.396108 0.000000\n0.000000 0.000000 4.115895\nK Mo W\n2 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333281 0.666719 0.250000 Mo\n0.666719 0.333281 0.750000 Mo\n0.172479 0.345028 0.250000 W\n0.654972 0.827521 0.250000 W\n0.172475 0.827525 0.250000 W\n0.827525 0.172475 0.750000 W\n0.345028 0.172479 0.750000 W\n0.827521 0.654972 0.750000 W\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mo",
"W"
],
"chemical_system": "K-Mo-W",
"density": 8.775605939021665,
"density_atomic": 0.03848757945053141,
"volume": 259.8240820224387,
"volume_molar": 15.646971947769112,
"formula_full": "K2 Mo2 W6",
"formula_reduced": "KMoW3",
"formula_anonymous": "ABC3",
"formation_energy": 3.8182281810000007,
"spacegroup": 194
},
{
"id": "oqmd-27768",
"created_at": "2022-09-04T15:15:45.729143Z",
"updated_at": "2022-09-04T15:15:45.729173Z",
"structure_string": "Er8 Al8\n1.0\n0.000000 0.000000 5.577994\n5.808038 0.000000 0.000000\n0.000000 11.321389 0.000000\nAl Er\n8 8\ndirect\n0.749999 0.000000 0.067333 Al\n0.749999 0.500000 0.067333 Al\n0.597853 0.250000 0.340082 Al\n0.902147 0.750000 0.340082 Al\n0.097852 0.250000 0.659918 Al\n0.402148 0.750000 0.659918 Al\n0.250000 0.000000 0.932668 Al\n0.250000 0.500000 0.932668 Al\n0.016565 0.250000 0.160684 Er\n0.483435 0.750000 0.160684 Er\n0.331687 0.250000 0.398877 Er\n0.168313 0.750000 0.398877 Er\n0.831688 0.250000 0.601124 Er\n0.668312 0.750000 0.601124 Er\n0.516564 0.250000 0.839316 Er\n0.983434 0.750000 0.839316 Er\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"Er"
],
"chemical_system": "Al-Er",
"density": 7.035123945325329,
"density_atomic": 0.0436227236423413,
"volume": 366.78131634288883,
"volume_molar": 13.805054469718533,
"formula_full": "Er8 Al8",
"formula_reduced": "ErAl",
"formula_anonymous": "AB",
"formation_energy": 3.813282908125,
"spacegroup": 57
},
{
"id": "oqmd-1239728",
"created_at": "2022-09-04T15:40:50.761621Z",
"updated_at": "2022-09-04T15:40:50.761643Z",
"structure_string": "Eu2 Hf4\n1.0\n4.005579 2.312622 6.541083\n-4.005579 2.312622 6.541083\n0.000000 -4.625244 6.541083\nEu Hf\n2 4\ndirect\n0.124999 0.124999 0.124999 Eu\n0.875001 0.875001 0.875001 Eu\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"Hf"
],
"chemical_system": "Eu-Hf",
"density": 4.64919998021699,
"density_atomic": 0.016503664476994414,
"volume": 363.5556217447228,
"volume_molar": 36.48971880393397,
"formula_full": "Eu2 Hf4",
"formula_reduced": "EuHf2",
"formula_anonymous": "AB2",
"formation_energy": 3.81127748333333,
"spacegroup": 227
},
{
"id": "oqmd-1241161",
"created_at": "2022-09-04T15:40:57.277644Z",
"updated_at": "2022-09-04T15:40:57.277674Z",
"structure_string": "Ta4 I2\n1.0\n4.545609 2.624408 7.422948\n-4.545609 2.624408 7.422948\n0.000000 -5.248817 7.422948\nI Ta\n2 4\ndirect\n0.500000 0.500000 0.500000 I\n0.750001 0.750001 0.750001 I\n0.625000 0.625000 0.124999 Ta\n0.625000 0.124999 0.625000 Ta\n0.124999 0.625000 0.625000 Ta\n0.625000 0.625000 0.625000 Ta\n",
"nsites": 6,
"nelements": 2,
"elements": [
"I",
"Ta"
],
"chemical_system": "I-Ta",
"density": 3.0553385645462616,
"density_atomic": 0.011292759975693427,
"volume": 531.3138694981935,
"volume_molar": 53.327448497639864,
"formula_full": "Ta4 I2",
"formula_reduced": "Ta2I",
"formula_anonymous": "AB2",
"formation_energy": 3.81123171585723,
"spacegroup": 227
},
{
"id": "oqmd-344447",
"created_at": "2022-09-04T14:51:04.283930Z",
"updated_at": "2022-09-04T14:51:04.283961Z",
"structure_string": "C3 S1\n1.0\n3.320404 0.000000 0.000000\n0.000000 3.320404 0.000000\n0.000000 0.000000 3.320404\nC S\n3 1\ndirect\n0.499999 0.499999 0.000000 C\n0.499999 0.000000 0.499999 C\n0.000000 0.499999 0.499999 C\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"S"
],
"chemical_system": "C-S",
"density": 3.0889076885573505,
"density_atomic": 0.10926654381209774,
"volume": 36.607728774497296,
"volume_molar": 5.511422389598126,
"formula_full": "C3 S1",
"formula_reduced": "C3S",
"formula_anonymous": "AB3",
"formation_energy": 3.81039495087166,
"spacegroup": 221
}
]
}