HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4389",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4387",
"results": [
{
"id": "jvasp-97680",
"created_at": "2022-09-04T14:35:55.198638Z",
"updated_at": "2022-09-04T14:35:55.198664Z",
"structure_string": "Y2 Mg4 Cu18\n1.0\n4.985271 -0.000000 -0.000000\n-2.492635 4.317371 0.000000\n0.000000 -0.000000 16.123095\nY Mg Cu\n2 4 18\ndirect\n0.333333 0.666666 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.333333 0.666666 0.533505 Mg\n0.666666 0.333333 0.466495 Mg\n0.333333 0.666666 0.966495 Mg\n0.666666 0.333333 0.033505 Mg\n0.333333 0.666666 0.250000 Cu\n0.663522 0.831761 0.377277 Cu\n0.336477 0.168239 0.877277 Cu\n0.831761 0.663523 0.622724 Cu\n0.831761 0.168239 0.877277 Cu\n0.831761 0.663523 0.877277 Cu\n0.168238 0.831761 0.122724 Cu\n0.663522 0.831761 0.122724 Cu\n0.831761 0.168239 0.622724 Cu\n0.168238 0.336477 0.122724 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.750000 Cu\n0.168238 0.336477 0.377277 Cu\n0.168238 0.831761 0.377277 Cu\n0.666666 0.333333 0.750000 Cu\n0.336477 0.168239 0.622724 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 6.789409386944605,
"density_atomic": 0.06915995263448582,
"volume": 347.02163731721055,
"volume_molar": 8.707554777874627,
"formula_full": "Y2 Mg4 Cu18",
"formula_reduced": "YMg2Cu9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-33856",
"created_at": "2022-09-04T14:38:01.690022Z",
"updated_at": "2022-09-04T14:38:01.690037Z",
"structure_string": "Y2 Mg6\n1.0\n6.670291 0.000000 0.000000\n-3.335146 5.776641 -0.000000\n0.000000 -0.000000 5.164569\nY Mg\n2 6\ndirect\n0.666668 0.333334 0.250000 Y\n0.333333 0.666667 0.750000 Y\n0.163411 0.326823 0.250000 Mg\n0.163411 0.836588 0.250000 Mg\n0.673175 0.836588 0.250000 Mg\n0.326823 0.163413 0.750000 Mg\n0.836589 0.163413 0.750000 Mg\n0.836588 0.673177 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.7005941824626785,
"density_atomic": 0.040200896999484655,
"volume": 199.00053474186294,
"volume_molar": 14.980115394134613,
"formula_full": "Y2 Mg6",
"formula_reduced": "YMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4480425642857143,
"spacegroup": 194
},
{
"id": "jvasp-110960",
"created_at": "2022-09-04T14:38:46.359160Z",
"updated_at": "2022-09-04T14:38:46.359179Z",
"structure_string": "Y2 Mn2 Al2\n1.0\n4.665795 0.030247 -2.473757\n-1.644260 4.255499 -2.660295\n0.102477 -0.030247 5.280020\nY Mn Al\n2 2 2\ndirect\n0.136554 0.886554 0.250001 Y\n0.863446 0.113446 0.749999 Y\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Y",
"density": 5.368783862341302,
"density_atomic": 0.05678002061902956,
"volume": 105.67097254609182,
"volume_molar": 10.606091181977677,
"formula_full": "Y2 Mn2 Al2",
"formula_reduced": "YMnAl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5465284971264373,
"spacegroup": 74
},
{
"id": "jvasp-111329",
"created_at": "2022-09-04T14:38:49.865952Z",
"updated_at": "2022-09-04T14:38:49.865974Z",
"structure_string": "Y2 Mn2 Co2\n1.0\n4.451848 -0.014945 2.429962\n-2.924483 4.138837 0.203269\n-0.101123 -0.014945 5.070842\nY Mn Co\n2 2 2\ndirect\n0.500003 0.747299 0.752701 Y\n0.000001 0.002704 0.997296 Y\n0.250002 0.875001 0.374999 Mn\n0.750002 0.375002 0.374999 Mn\n0.750003 0.375002 0.874998 Co\n0.250001 0.375001 0.374999 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Co"
],
"chemical_system": "Co-Mn-Y",
"density": 7.137808287622557,
"density_atomic": 0.0635942939719851,
"volume": 94.34808730863735,
"volume_molar": 9.469624370156396,
"formula_full": "Y2 Mn2 Co2",
"formula_reduced": "YMnCo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0475711971264365,
"spacegroup": 74
},
{
"id": "jvasp-10839",
"created_at": "2022-09-04T14:38:30.908613Z",
"updated_at": "2022-09-04T14:38:30.908631Z",
"structure_string": "Y2 Mn2 O6\n1.0\n1.797484 -3.113334 -0.000000\n1.797484 3.113334 0.000000\n0.000000 0.000000 11.308244\nY Mn O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666666 0.333332 0.750000 Mn\n0.333332 0.666666 0.250000 Mn\n0.333332 0.666666 0.415570 O\n0.666666 0.333332 0.915570 O\n0.666666 0.333332 0.584429 O\n0.333332 0.666666 0.084429 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.033929017895345,
"density_atomic": 0.07901036821999508,
"volume": 126.5656675862613,
"volume_molar": 7.621962655878351,
"formula_full": "Y2 Mn2 O6",
"formula_reduced": "YMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.4919546382758617,
"spacegroup": 194
},
{
"id": "jvasp-59587",
"created_at": "2022-09-04T14:36:52.853482Z",
"updated_at": "2022-09-04T14:36:52.853493Z",
"structure_string": "Y2 Mn2 O6\n1.0\n1.797452 -3.113279 -0.000000\n1.797452 3.113279 0.000000\n0.000000 0.000000 11.308668\nY Mn O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666666 0.333332 0.750000 Mn\n0.333332 0.666666 0.250000 Mn\n0.333332 0.666666 0.415566 O\n0.666666 0.333332 0.915566 O\n0.666666 0.333332 0.584434 O\n0.333332 0.666666 0.084434 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.033918823490495,
"density_atomic": 0.07901020821303469,
"volume": 126.56592389982151,
"volume_molar": 7.621978091441734,
"formula_full": "Y2 Mn2 O6",
"formula_reduced": "YMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.491952638275862,
"spacegroup": 194
},
{
"id": "jvasp-18022",
"created_at": "2022-09-04T14:37:27.388266Z",
"updated_at": "2022-09-04T14:37:27.388296Z",
"structure_string": "Y2 Mn2 Si2\n1.0\n3.937083 0.000000 0.000000\n-0.000000 3.937083 -0.000000\n-0.000000 0.000000 7.087942\nY Mn Si\n2 2 2\ndirect\n0.000000 0.500000 0.668247 Y\n0.500000 0.000000 0.331753 Y\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.796890 Si\n0.000000 0.500000 0.203110 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Y",
"density": 5.197086340894557,
"density_atomic": 0.054611229506547405,
"volume": 109.86751359041739,
"volume_molar": 11.027293863211776,
"formula_full": "Y2 Mn2 Si2",
"formula_reduced": "YMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.859913763793103,
"spacegroup": 129
},
{
"id": "jvasp-104906",
"created_at": "2022-09-04T14:36:48.648172Z",
"updated_at": "2022-09-04T14:36:48.648199Z",
"structure_string": "Y2 Mn3 Co1\n1.0\n4.233423 -0.000000 2.511370\n-2.861615 4.004999 0.000000\n-0.244532 -0.174721 5.236040\nY Mn Co\n2 3 1\ndirect\n0.503670 0.751835 0.744495 Y\n-0.003669 -0.001835 0.005505 Y\n0.250001 0.375000 0.375000 Mn\n0.250001 0.875000 0.374999 Mn\n0.750000 0.375000 0.375000 Mn\n0.750001 0.375000 0.875000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Co"
],
"chemical_system": "Co-Mn-Y",
"density": 7.209362819099846,
"density_atomic": 0.06487085751980215,
"volume": 92.4914550138091,
"volume_molar": 9.283276019839436,
"formula_full": "Y2 Mn3 Co1",
"formula_reduced": "Y2Mn3Co",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.032013920689654,
"spacegroup": 166
},
{
"id": "jvasp-99905",
"created_at": "2022-09-04T14:36:21.896101Z",
"updated_at": "2022-09-04T14:36:21.896122Z",
"structure_string": "Y2 Mn3 Fe1\n1.0\n4.523469 0.194590 2.587255\n1.591198 4.238836 2.587255\n0.268382 0.194590 5.204194\nY Mn Fe\n2 3 1\ndirect\n0.623225 0.623226 0.623223 Y\n0.376775 0.376775 0.376774 Y\n0.000000 0.500001 -0.000001 Mn\n0.500000 0.000000 -0.000001 Mn\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn-Y",
"density": 7.047310631824831,
"density_atomic": 0.06390414488271391,
"volume": 93.8906233861992,
"volume_molar": 9.423709167930658,
"formula_full": "Y2 Mn3 Fe1",
"formula_reduced": "Y2Mn3Fe",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.068634687356321,
"spacegroup": 166
},
{
"id": "jvasp-14780",
"created_at": "2022-09-04T14:38:09.691089Z",
"updated_at": "2022-09-04T14:38:09.691121Z",
"structure_string": "Y2 Mn4\n1.0\n4.414671 -0.000000 2.548811\n1.471557 4.162192 2.548811\n0.000000 -0.000000 5.097623\nY Mn\n2 4\ndirect\n0.875000 0.875000 0.874999 Y\n0.125000 0.125000 0.125000 Y\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.500000 -0.000000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mn"
],
"chemical_system": "Mn-Y",
"density": 7.0480317280590485,
"density_atomic": 0.06405648193490632,
"volume": 93.66733574436934,
"volume_molar": 9.401298007779525,
"formula_full": "Y2 Mn4",
"formula_reduced": "YMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4036466442528743,
"spacegroup": 227
},
{
"id": "jvasp-11647",
"created_at": "2022-09-04T14:37:07.359321Z",
"updated_at": "2022-09-04T14:37:07.359350Z",
"structure_string": "Y2 Mn4 O8\n1.0\n5.431845 -0.127336 -2.928370\n-1.521069 5.317118 -2.740642\n-0.207000 -0.048008 6.372217\nY Mn O\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.380948 0.630947 0.750001 Mn\n0.619053 0.369053 0.250000 Mn\n0.500001 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.698600 0.759409 0.473122 O\n0.786288 0.225480 0.026881 O\n0.216368 0.215739 0.981652 O\n0.301400 0.240592 0.526880 O\n0.265913 0.765284 0.481651 O\n0.213712 0.774520 0.973122 O\n0.734086 0.234714 0.518348 O\n0.783632 0.784261 0.018349 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 4.886873111607859,
"density_atomic": 0.07839501673217152,
"volume": 178.5827796660795,
"volume_molar": 7.6817902604371175,
"formula_full": "Y2 Mn4 O8",
"formula_reduced": "YMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0883234189655173,
"spacegroup": 15
},
{
"id": "jvasp-9656",
"created_at": "2022-09-04T14:37:28.562072Z",
"updated_at": "2022-09-04T14:37:28.562100Z",
"structure_string": "Y2 Mn4 O8\n1.0\n5.099350 0.106432 -2.526531\n-1.371907 4.893432 -2.562956\n-0.041642 -0.007993 6.327255\nY Mn O\n2 4 8\ndirect\n0.875000 0.125000 0.750001 Y\n0.125000 0.875000 0.250000 Y\n0.500000 -0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.720509 0.523094 0.851007 O\n0.130497 0.827913 0.851007 O\n0.279490 0.476906 0.148993 O\n0.869503 0.172087 0.148993 O\n0.523093 0.130498 0.351014 O\n0.827921 0.720516 0.351014 O\n0.172079 0.279484 0.648986 O\n0.476907 0.869502 0.648986 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.517404546484411,
"density_atomic": 0.08850997598288221,
"volume": 158.17426052299,
"volume_molar": 6.803911867702551,
"formula_full": "Y2 Mn4 O8",
"formula_reduced": "YMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0682591332512312,
"spacegroup": 88
}
]
}