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=41",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=density&page=39",
"results": [
{
"id": "oqmd-1215873",
"created_at": "2022-09-04T15:39:05.522192Z",
"updated_at": "2022-09-04T15:39:05.522222Z",
"structure_string": "K3\n1.0\n5.618200 -0.000000 0.000000\n-2.809100 4.865504 0.000000\n0.000000 0.000000 7.997456\nK\n3\ndirect\n0.661405 0.661405 0.000000 K\n0.338594 0.000000 0.333334 K\n0.000000 0.338596 0.666667 K\n",
"nsites": 3,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8909459091432808,
"density_atomic": 0.013722851572219703,
"volume": 218.61345538948675,
"volume_molar": 43.88403334618233,
"formula_full": "K3",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.099208955,
"spacegroup": 166
},
{
"id": "oqmd-1241620",
"created_at": "2022-09-04T15:41:26.079930Z",
"updated_at": "2022-09-04T15:41:26.079956Z",
"structure_string": "Rb4 B2\n1.0\n4.929148 2.845845 8.049265\n-4.929148 2.845845 8.049265\n0.000000 -5.691690 8.049265\nB Rb\n2 4\ndirect\n0.500000 0.500000 0.500000 B\n0.750000 0.750000 0.750000 B\n0.625000 0.625000 0.125002 Rb\n0.625000 0.125002 0.625000 Rb\n0.125002 0.625000 0.625000 Rb\n0.625000 0.625000 0.625000 Rb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Rb"
],
"chemical_system": "B-Rb",
"density": 0.8909530351062495,
"density_atomic": 0.00885647036557477,
"volume": 677.4707928027499,
"volume_molar": 67.99707458411591,
"formula_full": "Rb4 B2",
"formula_reduced": "Rb2B",
"formula_anonymous": "AB2",
"formation_energy": 1.51466326833333,
"spacegroup": 227
},
{
"id": "oqmd-1471759",
"created_at": "2022-09-04T15:51:40.473733Z",
"updated_at": "2022-09-04T15:51:40.473761Z",
"structure_string": "B2 H8\n1.0\n2.992861 0.000000 0.000000\n0.000000 2.992861 0.000000\n0.000000 0.000000 6.171520\nB H\n2 8\ndirect\n0.000000 0.500000 0.201806 B\n0.500000 0.000000 0.798194 B\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.174498 H\n0.500000 0.500000 0.174498 H\n0.000000 0.500000 0.397315 H\n0.500000 0.000000 0.602685 H\n0.000000 0.000000 0.825502 H\n0.500000 0.500000 0.825502 H\n",
"nsites": 10,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.891720033294117,
"density_atomic": 0.1808984164961516,
"volume": 55.27964364581786,
"volume_molar": 3.329017951977548,
"formula_full": "B2 H8",
"formula_reduced": "BH4",
"formula_anonymous": "AB4",
"formation_energy": 0.6763877482526596,
"spacegroup": 129
},
{
"id": "oqmd-1602952",
"created_at": "2022-09-04T16:00:04.338904Z",
"updated_at": "2022-09-04T16:00:04.338932Z",
"structure_string": "K5 B1\n1.0\n7.599557 0.000000 0.000000\n-3.799779 6.581410 0.000000\n0.000000 0.000000 7.675896\nB K\n1 5\ndirect\n0.000000 0.000000 0.000000 B\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\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"K"
],
"chemical_system": "B-K",
"density": 0.8923131288422823,
"density_atomic": 0.015628415358247,
"volume": 383.9160824986548,
"volume_molar": 38.53327814724452,
"formula_full": "K5 B1",
"formula_reduced": "K5B",
"formula_anonymous": "AB5",
"formation_energy": 1.0051682675,
"spacegroup": 191
},
{
"id": "oqmd-1214893",
"created_at": "2022-09-04T15:39:03.900338Z",
"updated_at": "2022-09-04T15:39:03.900365Z",
"structure_string": "K20\n1.0\n11.331502 0.000000 0.000000\n0.000000 11.331502 0.000000\n0.000000 0.000000 11.331502\nK\n20\ndirect\n0.875000 0.703779 0.046222 K\n0.061395 0.061395 0.061395 K\n0.203779 0.453778 0.125000 K\n0.811396 0.311395 0.188605 K\n0.453778 0.125000 0.203779 K\n0.546221 0.625000 0.296221 K\n0.188605 0.811396 0.311395 K\n0.796222 0.953778 0.375000 K\n0.938605 0.561395 0.438605 K\n0.125000 0.203779 0.453778 K\n0.625000 0.296221 0.546221 K\n0.438605 0.938605 0.561395 K\n0.296221 0.546221 0.625000 K\n0.688605 0.688605 0.688605 K\n0.046222 0.875000 0.703779 K\n0.953778 0.375000 0.796222 K\n0.311395 0.188605 0.811396 K\n0.703779 0.046222 0.875000 K\n0.561395 0.438605 0.938605 K\n0.375000 0.796222 0.953778 K\n",
"nsites": 20,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8924307547426098,
"density_atomic": 0.013745722001903642,
"volume": 1454.9981439483647,
"volume_molar": 43.81101814197898,
"formula_full": "K20",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.0112287055,
"spacegroup": 213
},
{
"id": "oqmd-23678",
"created_at": "2022-09-04T15:33:29.369571Z",
"updated_at": "2022-09-04T15:33:29.369598Z",
"structure_string": "B12 H40 N4\n1.0\n10.089401 0.000000 0.063643\n0.000000 4.696612 0.000000\n-4.069969 0.000000 8.848941\nB H N\n12 40 4\ndirect\n0.905965 0.176240 0.113129 B\n0.568983 0.697743 0.197036 B\n0.433294 0.538365 0.239946 B\n0.066706 0.038364 0.260054 B\n0.931016 0.197745 0.302964 B\n0.594036 0.676241 0.386872 B\n0.405965 0.323759 0.613129 B\n0.068984 0.802257 0.697036 B\n0.933295 0.961636 0.739945 B\n0.566705 0.461635 0.760054 B\n0.431016 0.302256 0.802964 B\n0.094035 0.823760 0.886871 B\n0.147668 0.220582 0.015240 H\n0.946414 0.327019 0.038210 H\n0.742693 0.840201 0.069879 H\n0.278080 0.979930 0.084642 H\n0.442122 0.526416 0.113227 H\n0.538204 0.920242 0.129759 H\n0.831241 0.341369 0.153522 H\n0.658503 0.553507 0.176842 H\n0.325243 0.674582 0.219878 H\n0.069598 0.790938 0.228419 H\n0.430402 0.290939 0.271580 H\n0.174757 0.174581 0.280121 H\n0.841495 0.053507 0.323158 H\n0.668760 0.841368 0.346479 H\n0.961796 0.420241 0.370241 H\n0.057879 0.026417 0.386772 H\n0.221919 0.479931 0.415358 H\n0.757306 0.340201 0.430122 H\n0.553585 0.827019 0.461790 H\n0.352333 0.720581 0.484759 H\n0.647667 0.279418 0.515240 H\n0.446415 0.172982 0.538211 H\n0.242694 0.659799 0.569880 H\n0.778080 0.520071 0.584642 H\n0.942121 0.973585 0.613227 H\n0.038203 0.579758 0.629759 H\n0.331241 0.158633 0.653521 H\n0.158503 0.946495 0.676842 H\n0.825243 0.825418 0.719878 H\n0.569598 0.709062 0.728420 H\n0.930403 0.209061 0.771580 H\n0.674757 0.325418 0.780121 H\n0.341496 0.446492 0.823158 H\n0.168759 0.658632 0.846478 H\n0.461797 0.079760 0.870241 H\n0.557879 0.473586 0.886773 H\n0.721920 0.020072 0.915358 H\n0.257306 0.159800 0.930121 H\n0.053585 0.672981 0.961790 H\n0.852333 0.779417 0.984759 H\n0.798458 0.937169 0.014697 N\n0.701541 0.437168 0.485303 N\n0.298458 0.562833 0.514697 N\n0.201541 0.062833 0.985302 N\n",
"nsites": 56,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.8926984647978462,
"density_atomic": 0.13316450789819528,
"volume": 420.53247433476935,
"volume_molar": 4.522331704634051,
"formula_full": "B12 H40 N4",
"formula_reduced": "B3H10N",
"formula_anonymous": "AB3C10",
"formation_energy": -0.200775642834662,
"spacegroup": 14
},
{
"id": "oqmd-21091",
"created_at": "2022-09-04T14:59:49.862858Z",
"updated_at": "2022-09-04T14:59:49.862891Z",
"structure_string": "B2 H12 N2\n1.0\n2.978123 -3.207159 0.000000\n2.978123 3.207159 0.000000\n0.000000 0.000000 6.004347\nB H N\n2 12 2\ndirect\n0.152358 0.847641 0.208319 B\n0.847641 0.152358 0.708320 B\n0.270614 0.729385 0.049363 H\n0.817463 0.182536 0.067713 H\n0.210958 0.125499 0.208551 H\n0.874500 0.789041 0.208551 H\n0.235715 0.485266 0.449163 H\n0.514735 0.764286 0.449163 H\n0.729385 0.270614 0.549362 H\n0.182536 0.817463 0.567714 H\n0.125499 0.210958 0.708552 H\n0.789041 0.874500 0.708552 H\n0.485266 0.235715 0.949162 H\n0.764286 0.514735 0.949162 H\n0.282104 0.717895 0.432277 N\n0.717895 0.282104 0.932276 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.8936989712913117,
"density_atomic": 0.13949578404886193,
"volume": 114.69880691444835,
"volume_molar": 4.317077251517933,
"formula_full": "B2 H12 N2",
"formula_reduced": "BH6N",
"formula_anonymous": "ABC6",
"formation_energy": -0.30579224793107,
"spacegroup": 36
},
{
"id": "oqmd-1236854",
"created_at": "2022-09-04T15:40:29.181976Z",
"updated_at": "2022-09-04T15:40:29.181996Z",
"structure_string": "Mg2 S4\n1.0\n3.872672 2.235888 6.324047\n-3.872672 2.235888 6.324047\n0.000000 -4.471777 6.324047\nMg S\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750000 0.750000 Mg\n0.875000 0.875000 0.375000 S\n0.875000 0.375000 0.875000 S\n0.375000 0.875000 0.875000 S\n0.875000 0.875000 0.875000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"S"
],
"chemical_system": "Mg-S",
"density": 0.893914760734505,
"density_atomic": 0.01826182117412311,
"volume": 328.55430697689474,
"volume_molar": 32.97667139865184,
"formula_full": "Mg2 S4",
"formula_reduced": "MgS2",
"formula_anonymous": "AB2",
"formation_energy": -0.0019608390644609,
"spacegroup": 227
},
{
"id": "oqmd-1241459",
"created_at": "2022-09-04T15:41:06.208275Z",
"updated_at": "2022-09-04T15:41:06.208298Z",
"structure_string": "K4 W2\n1.0\n0.000000 7.866026 7.866026\n7.866026 0.000000 7.866026\n7.866026 7.866026 0.000000\nK W\n4 2\ndirect\n0.625000 0.625000 0.124999 K\n0.625000 0.124999 0.625000 K\n0.124999 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 W\n0.750000 0.750000 0.750000 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"W"
],
"chemical_system": "K-W",
"density": 0.894015236509806,
"density_atomic": 0.00616389343821508,
"volume": 973.4107281610404,
"volume_molar": 97.7002737046647,
"formula_full": "K4 W2",
"formula_reduced": "K2W",
"formula_anonymous": "AB2",
"formation_energy": 2.38886332666667,
"spacegroup": 227
},
{
"id": "oqmd-1603014",
"created_at": "2022-09-04T15:59:59.089221Z",
"updated_at": "2022-09-04T15:59:59.089247Z",
"structure_string": "Li5 C1\n1.0\n4.602789 0.000000 0.000000\n-2.301395 3.986133 0.000000\n0.000000 0.000000 4.728860\nC Li\n1 5\ndirect\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.000000 Li\n0.333333 0.666667 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"Li"
],
"chemical_system": "C-Li",
"density": 0.8940929076991773,
"density_atomic": 0.06915473827269442,
"volume": 86.76195080574958,
"volume_molar": 8.708211339406988,
"formula_full": "Li5 C1",
"formula_reduced": "Li5C",
"formula_anonymous": "AB5",
"formation_energy": 0.9294595820833328,
"spacegroup": 191
},
{
"id": "oqmd-1215071",
"created_at": "2022-09-04T15:39:06.394044Z",
"updated_at": "2022-09-04T15:39:06.394077Z",
"structure_string": "K4\n1.0\n0.000000 0.000000 4.788660\n7.545678 0.000000 0.000000\n3.772839 8.034873 0.000000\nK\n4\ndirect\n0.004772 0.368382 0.263236 K\n0.495230 0.868382 0.263236 K\n0.504772 0.131618 0.736763 K\n0.995228 0.631619 0.736763 K\n",
"nsites": 4,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8944903828045996,
"density_atomic": 0.013777445555374853,
"volume": 290.3295813380675,
"volume_molar": 43.71014014024279,
"formula_full": "K4",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.0335033500000002,
"spacegroup": 69
},
{
"id": "oqmd-1239919",
"created_at": "2022-09-04T15:40:50.574428Z",
"updated_at": "2022-09-04T15:40:50.574451Z",
"structure_string": "Na4 I2\n1.0\n4.840645 2.794747 7.904739\n-4.840645 2.794747 7.904739\n0.000000 -5.589495 7.904739\nI Na\n2 4\ndirect\n0.500000 0.500000 0.500000 I\n0.750000 0.750000 0.750000 I\n0.625001 0.625001 0.124999 Na\n0.625001 0.124999 0.625001 Na\n0.625001 0.625001 0.625001 Na\n0.124999 0.625001 0.625001 Na\n",
"nsites": 6,
"nelements": 2,
"elements": [
"I",
"Na"
],
"chemical_system": "I-Na",
"density": 0.8948481556712592,
"density_atomic": 0.00935118568633391,
"volume": 641.6298639827644,
"volume_molar": 64.3997559453977,
"formula_full": "Na4 I2",
"formula_reduced": "Na2I",
"formula_anonymous": "AB2",
"formation_energy": -0.560663448043871,
"spacegroup": 227
}
]
}