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=volume_molar&page=371",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=369",
"results": [
{
"id": "jvasp-116847",
"created_at": "2022-09-04T14:38:45.935097Z",
"updated_at": "2022-09-04T14:38:45.935113Z",
"structure_string": "Fe6 O7 F5\n1.0\n4.559250 -0.012815 0.229369\n0.322093 5.334062 0.545042\n0.023966 -0.043786 7.478749\nFe O F\n6 7 5\ndirect\n0.541579 0.841157 0.659592 Fe\n0.530566 0.501232 0.009018 Fe\n0.491028 0.169465 0.333971 Fe\n0.000476 0.319432 0.676516 Fe\n0.989651 0.664598 0.313147 Fe\n0.958766 0.000218 -0.001729 Fe\n0.306305 0.467393 0.232553 O\n0.298877 0.129576 0.568040 O\n0.695316 0.872437 0.420923 O\n0.702803 0.207584 0.104221 O\n0.793154 0.706236 0.089636 O\n0.807830 0.033424 0.776866 O\n0.699800 0.529188 0.776510 O\n0.186691 0.627370 0.566245 F\n0.793788 0.366624 0.436406 F\n0.292865 0.797159 0.902532 F\n0.194742 0.972556 0.219209 F\n0.215765 0.294333 0.916341 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.946055366873325,
"density_atomic": 0.09890921846876258,
"volume": 181.98505941774016,
"volume_molar": 6.08855357794775,
"formula_full": "Fe6 O7 F5",
"formula_reduced": "Fe6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.4714677173611106,
"spacegroup": 1
},
{
"id": "jvasp-23321",
"created_at": "2022-09-04T14:37:33.456231Z",
"updated_at": "2022-09-04T14:37:33.456256Z",
"structure_string": "Yb4 Be4 Si4 Ni2 O20\n1.0\n0.000000 4.581494 -0.050595\n7.460362 0.000000 0.000000\n0.000000 -0.001307 -10.057220\nYb Be Si Ni O\n4 4 4 2 20\ndirect\n0.996866 0.394623 0.170540 Yb\n0.003133 0.894623 0.329460 Yb\n0.003133 0.605377 0.829460 Yb\n0.996865 0.105377 0.670540 Yb\n0.447237 0.911763 0.845669 Be\n0.552761 0.088237 0.154332 Be\n0.447238 0.588237 0.345669 Be\n0.552761 0.411763 0.654332 Be\n0.514829 0.780483 0.580679 Si\n0.485169 0.280483 0.919321 Si\n0.485169 0.219517 0.419321 Si\n0.514830 0.719516 0.080679 Si\n-0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.253890 0.422838 0.975016 O\n0.720240 0.196504 0.030634 O\n0.279759 0.696504 0.469366 O\n0.279758 0.803495 0.969366 O\n0.720240 0.303496 0.530634 O\n0.253891 0.077161 0.475016 O\n0.746108 0.577161 0.024984 O\n0.746108 0.922838 0.524984 O\n0.791497 0.586295 0.349862 O\n0.725065 0.604420 0.627282 O\n0.208502 0.086295 0.150139 O\n0.208501 0.413705 0.650139 O\n0.319964 0.669452 0.211622 O\n0.680034 0.169452 0.288379 O\n0.274933 0.104420 0.872719 O\n0.680034 0.330548 0.788379 O\n0.725065 0.895580 0.127282 O\n0.274934 0.395580 0.372719 O\n0.791497 0.913705 0.849862 O\n0.319964 0.830548 0.711622 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Yb",
"Be",
"Si",
"Ni",
"O"
],
"chemical_system": "Be-Ni-O-Si-Yb",
"density": 6.173181501798684,
"density_atomic": 0.09890843266932835,
"volume": 343.75228767064925,
"volume_molar": 6.088601949778419,
"formula_full": "Yb4 Be4 Si4 Ni2 O20",
"formula_reduced": "Yb2Be2Si2NiO10",
"formula_anonymous": "AB2C2D2E10",
"energy_above_hull": 2.304238717647059,
"spacegroup": 14
},
{
"id": "jvasp-43812",
"created_at": "2022-09-04T14:36:00.842979Z",
"updated_at": "2022-09-04T14:36:00.842999Z",
"structure_string": "Li1 Mn1 Co3 O8\n1.0\n5.727194 -0.056329 0.007768\n-0.053534 5.653538 0.046388\n2.689476 2.833968 4.086913\nLi Mn Co O\n1 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Co\n0.000001 0.500000 0.500000 Co\n0.000001 0.000000 0.500000 Co\n0.206197 0.737924 0.029471 O\n0.200111 0.237248 0.037136 O\n0.200019 0.736995 0.536977 O\n0.206198 0.235668 0.531728 O\n0.793803 0.764333 0.468272 O\n0.799981 0.263006 0.463024 O\n0.799889 0.762753 0.962864 O\n0.793803 0.262076 0.970529 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.632413352775328,
"density_atomic": 0.09890577372845054,
"volume": 131.4382316617024,
"volume_molar": 6.088765633171234,
"formula_full": "Li1 Mn1 Co3 O8",
"formula_reduced": "LiMnCo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.1120875339522542,
"spacegroup": 12
},
{
"id": "jvasp-9241",
"created_at": "2022-09-04T14:38:13.826337Z",
"updated_at": "2022-09-04T14:38:13.826358Z",
"structure_string": "Mg2 Cr4 O12\n1.0\n4.878857 -0.033230 0.045162\n-0.060193 5.130487 -0.007230\n0.059488 -0.011045 7.271858\nMg Cr O\n2 4 12\ndirect\n0.533303 0.570623 0.259492 Mg\n0.028766 0.923556 0.759060 Mg\n0.512044 0.006996 0.023344 Cr\n0.027244 0.481809 0.011629 Cr\n0.012028 0.479630 0.522014 Cr\n0.529497 0.006000 0.513419 Cr\n0.627306 0.028353 0.740440 O\n0.127802 0.474947 0.240291 O\n0.679237 0.317817 0.058269 O\n0.178652 0.197687 0.935455 O\n0.783426 0.793310 0.433484 O\n0.789018 0.803637 0.046701 O\n0.281156 0.717939 0.934248 O\n0.381855 0.969275 0.240032 O\n0.177777 0.186961 0.559554 O\n0.681548 0.306131 0.436395 O\n0.288495 0.705177 0.546231 O\n0.883039 0.530225 0.739832 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.093005469354306,
"density_atomic": 0.09890513848267447,
"volume": 181.99256657583183,
"volume_molar": 6.0888047399629475,
"formula_full": "Mg2 Cr4 O12",
"formula_reduced": "MgCr2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.8224138722222234,
"spacegroup": 7
},
{
"id": "jvasp-43385",
"created_at": "2022-09-04T14:38:16.760109Z",
"updated_at": "2022-09-04T14:38:16.760136Z",
"structure_string": "Li4 V4 Fe4 O16\n1.0\n0.000000 5.880536 0.000021\n5.880510 0.000000 0.000000\n0.000000 -0.000041 -8.186840\nLi V Fe O\n4 4 4 16\ndirect\n0.759098 0.999997 0.750000 Li\n0.240903 0.999997 0.250000 Li\n0.000000 0.759094 0.000000 Li\n0.000000 0.240901 0.500000 Li\n0.500000 0.774063 0.000000 V\n0.774067 0.499997 0.749999 V\n0.225934 0.499997 0.250001 V\n0.500000 0.225931 0.500000 V\n0.253864 0.253863 0.874999 Fe\n0.746137 0.253863 0.125001 Fe\n0.253868 0.746131 0.625001 Fe\n0.746133 0.746131 0.374999 Fe\n0.023595 0.268918 0.243516 O\n0.976406 0.268918 0.756485 O\n0.510561 0.266762 0.732437 O\n0.489440 0.266762 0.267563 O\n0.266765 0.489436 0.482436 O\n0.733235 0.489436 0.517564 O\n0.266765 0.510558 0.017564 O\n0.268921 0.976401 0.993515 O\n0.489438 0.733232 0.232437 O\n0.510563 0.733232 0.767563 O\n0.023594 0.731075 0.256485 O\n0.976407 0.731075 0.743515 O\n0.731079 0.023593 0.493513 O\n0.731080 0.976401 0.006485 O\n0.733236 0.510558 0.982436 O\n0.268922 0.023593 0.506487 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.169746447899791,
"density_atomic": 0.09890308142186002,
"volume": 283.1054361245747,
"volume_molar": 6.088931379512064,
"formula_full": "Li4 V4 Fe4 O16",
"formula_reduced": "LiVFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.649817671428572,
"spacegroup": 91
},
{
"id": "jvasp-100444",
"created_at": "2022-09-04T14:36:40.054608Z",
"updated_at": "2022-09-04T14:36:40.054632Z",
"structure_string": "Sc2 Al2 N4\n1.0\n3.979935 0.000000 -1.846476\n-0.856913 3.886105 -1.847010\n0.005073 0.007263 5.223390\nSc Al N\n2 2 4\ndirect\n0.625001 0.874999 0.750001 Sc\n0.374999 0.124999 0.249998 Sc\n0.124999 0.374998 0.750000 Al\n0.875002 0.625000 0.249999 Al\n0.362729 0.612728 0.225457 N\n0.637271 0.387270 0.774541 N\n0.887272 0.137270 0.274541 N\n0.112729 0.862728 0.725458 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Al",
"N"
],
"chemical_system": "Al-N-Sc",
"density": 4.103727219310011,
"density_atomic": 0.09890150134997905,
"volume": 80.88855973672936,
"volume_molar": 6.089028657603159,
"formula_full": "Sc2 Al2 N4",
"formula_reduced": "ScAlN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2257486375000006,
"spacegroup": 141
},
{
"id": "jvasp-30560",
"created_at": "2022-09-04T14:37:10.925566Z",
"updated_at": "2022-09-04T14:37:10.925576Z",
"structure_string": "Ni1 O2\n1.0\n2.638141 -0.041932 3.863386\n1.162328 2.368658 3.863386\n-0.068492 -0.041932 4.677697\nNi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.261793 0.261792 0.261792 O\n0.738210 0.738209 0.738208 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.964465167162384,
"density_atomic": 0.09889508043172557,
"volume": 30.335179332516113,
"volume_molar": 6.089423997341829,
"formula_full": "Ni1 O2",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4599998000000003,
"spacegroup": 166
},
{
"id": "jvasp-11275",
"created_at": "2022-09-04T14:38:29.136267Z",
"updated_at": "2022-09-04T14:38:29.136294Z",
"structure_string": "Al2 V2 O6\n1.0\n1.561132 -2.703960 -0.000000\n1.561132 2.703960 -0.000000\n-0.000000 -0.000000 11.977224\nAl V O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666666 0.333332 0.750000 V\n0.333332 0.666666 0.250000 V\n0.333332 0.666666 0.423194 O\n0.666666 0.333332 0.923194 O\n0.666666 0.333332 0.576806 O\n0.333332 0.666666 0.076806 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"V",
"O"
],
"chemical_system": "Al-O-V",
"density": 4.1357285292069745,
"density_atomic": 0.09889491095205577,
"volume": 101.11743772991512,
"volume_molar": 6.089434433000838,
"formula_full": "Al2 V2 O6",
"formula_reduced": "AlVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2901535,
"spacegroup": 194
},
{
"id": "jvasp-112122",
"created_at": "2022-09-04T14:38:44.065284Z",
"updated_at": "2022-09-04T14:38:44.065297Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.215579 0.271648 -1.056594\n-1.567870 5.868931 -1.300989\n0.241601 0.258922 7.102585\nSn H C F\n2 8 4 4\ndirect\n0.978834 0.628740 0.541511 Sn\n0.914130 0.109083 0.027609 Sn\n0.664590 0.232375 0.715440 H\n0.300989 0.566669 0.879680 H\n0.243356 0.321544 0.692650 H\n0.739187 0.466375 0.914411 H\n0.898714 0.026671 0.480699 H\n0.693325 0.757670 0.145742 H\n0.095990 0.750895 0.130940 H\n0.298106 -0.003562 0.468507 H\n0.123399 0.443434 0.764882 C\n0.849378 0.342271 0.836324 C\n0.045642 0.918696 0.415609 C\n0.939144 0.851044 0.194907 C\n0.783372 0.841331 0.773664 F\n0.485989 0.555755 0.453182 F\n0.895576 0.362159 0.289524 F\n0.398106 0.076092 0.990219 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.3712286832457243,
"density_atomic": 0.09889486700244406,
"volume": 182.0114688010567,
"volume_molar": 6.089437139190622,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.8715413627777777,
"spacegroup": 1
},
{
"id": "jvasp-8248",
"created_at": "2022-09-04T14:37:05.778432Z",
"updated_at": "2022-09-04T14:37:05.778453Z",
"structure_string": "Ni1 O2\n1.0\n2.638153 -0.041923 3.863429\n1.162341 2.368665 3.863429\n-0.068479 -0.041923 4.677740\nNi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.261793 0.261792 0.261793 O\n0.738208 0.738207 0.738209 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.964419272649721,
"density_atomic": 0.09889416618590686,
"volume": 30.335459771817376,
"volume_molar": 6.08948029217339,
"formula_full": "Ni1 O2",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4599998000000003,
"spacegroup": 166
},
{
"id": "jvasp-47058",
"created_at": "2022-09-04T14:38:05.419969Z",
"updated_at": "2022-09-04T14:38:05.419992Z",
"structure_string": "Li2 Ni2 P2 O8\n1.0\n-2.767532 4.634724 0.000000\n2.767532 0.000000 5.518389\n2.767532 4.634724 0.000000\nLi Ni P O\n2 2 2 8\ndirect\n0.806525 0.250000 0.806525 Li\n0.556525 0.750000 0.556525 Li\n0.442892 0.250000 0.442891 Ni\n0.192892 0.750000 0.192892 Ni\n0.121659 0.250000 0.121658 P\n0.871658 0.750000 0.871658 P\n0.777687 0.104415 0.269979 O\n0.294773 0.088897 0.161484 O\n0.750383 0.588897 0.205876 O\n0.874394 0.604415 0.673271 O\n0.161484 0.411104 0.294773 O\n0.269979 0.395585 0.777686 O\n0.673272 0.895585 0.874393 O\n0.205876 0.911104 0.750382 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.7677439436274436,
"density_atomic": 0.09889383090005313,
"volume": 141.5659588933214,
"volume_molar": 6.089500937713967,
"formula_full": "Li2 Ni2 P2 O8",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.067568842857143,
"spacegroup": 43
},
{
"id": "jvasp-101831",
"created_at": "2022-09-04T14:36:38.855926Z",
"updated_at": "2022-09-04T14:36:38.855947Z",
"structure_string": "H8 C4 S2 N4\n1.0\n5.048797 -0.069383 -0.921220\n-1.346798 5.866082 -1.274410\n-0.072442 0.107137 6.150813\nH C S N\n8 4 2 4\ndirect\n0.037099 0.152887 0.047535 H\n0.037756 0.653033 0.547681 H\n0.751056 0.238413 0.133006 H\n0.751330 0.738196 0.632787 H\n0.282695 0.551754 0.164205 H\n0.282770 0.051950 0.664306 H\n0.282762 0.769659 0.946639 H\n0.282689 0.269557 0.446444 H\n0.927184 0.083447 0.478090 C\n0.927183 0.583468 0.978069 C\n0.973601 0.275426 0.170054 C\n0.973894 0.775430 0.670061 C\n0.584969 0.485617 0.880100 S\n0.584968 0.985525 0.380191 S\n0.074626 0.748484 0.899484 N\n0.074559 0.504772 0.143067 N\n0.074636 0.004833 0.643119 N\n0.074550 0.248433 0.399421 N\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6080540015588356,
"density_atomic": 0.09889232410470906,
"volume": 182.01614900809955,
"volume_molar": 6.089593721777278,
"formula_full": "H8 C4 S2 N4",
"formula_reduced": "H4C2SN2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 4.536925166666666,
"spacegroup": 6
}
]
}