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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4186",
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"results": [
{
"id": "jvasp-30344",
"created_at": "2022-09-04T14:37:06.941113Z",
"updated_at": "2022-09-04T14:37:06.941123Z",
"structure_string": "Mn5 Sn1 O12\n1.0\n2.536610 4.406203 0.481266\n-2.564604 4.409669 0.240633\n0.427070 0.741840 8.992596\nMn Sn O\n5 1 12\ndirect\n0.166928 0.666143 0.500000 Mn\n0.666667 0.666668 0.000000 Mn\n0.333334 0.333331 0.000000 Mn\n0.833073 0.333856 0.500001 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.037299 0.356889 0.887914 O\n0.319592 -0.000000 0.112088 O\n0.605810 0.356889 0.112087 O\n0.798867 0.666859 0.603543 O\n0.131535 -0.000000 0.604977 O\n0.201133 0.333140 0.396457 O\n0.534274 0.666859 0.396457 O\n0.680407 -0.000000 0.887913 O\n0.394190 0.643110 0.887914 O\n0.962702 0.643110 0.112087 O\n0.465727 0.333140 0.603543 O\n0.868464 -0.000000 0.395024 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.8510370373324,
"density_atomic": 0.08982773613606423,
"volume": 200.38354270372534,
"volume_molar": 6.704099445273917,
"formula_full": "Mn5 Sn1 O12",
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"formula_anonymous": "AB5C12",
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"spacegroup": 12
},
{
"id": "jvasp-11008",
"created_at": "2022-09-04T14:37:07.032811Z",
"updated_at": "2022-09-04T14:37:07.032836Z",
"structure_string": "Tm6 Fe2 Si6\n1.0\n4.064049 -0.000000 0.670657\n2.003289 5.165074 0.509462\n0.002764 -0.042337 12.632242\nTm Fe Si\n6 2 6\ndirect\n0.748666 0.732288 0.770380 Tm\n0.251334 0.267711 0.229620 Tm\n0.523872 0.331975 0.620281 Tm\n0.476128 0.668024 0.379719 Tm\n0.399363 0.282262 0.919010 Tm\n0.600637 0.717737 0.080990 Tm\n0.752800 0.079323 0.415076 Fe\n0.247200 0.920675 0.584924 Fe\n0.143563 0.256747 0.456127 Si\n0.856438 0.743252 0.543873 Si\n0.116365 0.842510 0.924756 Si\n0.883635 0.157488 0.075244 Si\n0.053391 0.135317 0.757900 Si\n0.946610 0.864682 0.242100 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Tm",
"density": 8.10155474822225,
"density_atomic": 0.05279312741418232,
"volume": 265.186032457684,
"volume_molar": 11.407054393186442,
"formula_full": "Tm6 Fe2 Si6",
"formula_reduced": "Tm3FeSi3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.6456620071428567,
"spacegroup": 12
},
{
"id": "jvasp-34203",
"created_at": "2022-09-04T14:37:07.810703Z",
"updated_at": "2022-09-04T14:37:07.810730Z",
"structure_string": "Li2 C4 O4\n1.0\n3.260189 0.028512 -0.356309\n-0.845816 5.629740 -1.721428\n0.041553 -0.000437 5.947348\nLi C O\n2 4 4\ndirect\n0.499999 0.355138 0.644861 Li\n0.499999 0.644861 0.355138 Li\n0.000000 0.108709 0.891290 C\n0.167103 0.138938 0.138938 C\n-0.000000 0.891290 0.108709 C\n0.832892 0.861061 0.861062 C\n0.631119 0.693280 0.693280 O\n-0.000001 0.758933 0.241067 O\n-0.000002 0.241067 0.758933 O\n0.368880 0.306719 0.306719 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 1.9116776326764262,
"density_atomic": 0.09142449473405408,
"volume": 109.37987712252753,
"volume_molar": 6.587010163433645,
"formula_full": "Li2 C4 O4",
"formula_reduced": "Li(CO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5164474,
"spacegroup": 12
},
{
"id": "jvasp-51350",
"created_at": "2022-09-04T14:37:07.301504Z",
"updated_at": "2022-09-04T14:37:07.301532Z",
"structure_string": "Li2 H2 O4\n1.0\n2.732310 3.737636 -1.369368\n-2.732310 3.737636 1.369368\n-0.006917 0.000000 3.306563\nLi H O\n2 2 4\ndirect\n0.312850 0.312851 0.499999 Li\n0.687150 0.687151 0.499999 Li\n0.809101 0.190900 0.279890 H\n0.190900 0.809101 0.720108 H\n0.709588 0.290413 0.446285 O\n0.290412 0.709589 0.553714 O\n0.172447 0.172447 -0.000000 O\n0.827554 0.827554 -0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.966496112224084,
"density_atomic": 0.11858008884506321,
"volume": 67.46495198239228,
"volume_molar": 5.078542965057591,
"formula_full": "Li2 H2 O4",
"formula_reduced": "LiHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.84564175,
"spacegroup": 12
},
{
"id": "jvasp-82124",
"created_at": "2022-09-04T14:37:07.338608Z",
"updated_at": "2022-09-04T14:37:07.338636Z",
"structure_string": "Al2 Os1 Ru1\n1.0\n-9.897269 2.286992 -2.275210\n-7.024110 1.415318 0.847389\n-6.152461 3.716091 -0.632867\nAl Os Ru\n2 1 1\ndirect\n0.748074 0.001599 0.001657 Al\n0.251926 -0.001599 -0.001658 Al\n0.500000 0.000000 -0.000000 Os\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Os",
"Ru"
],
"chemical_system": "Al-Os-Ru",
"density": 9.967741512787025,
"density_atomic": 0.0695436569202227,
"volume": 57.51782660190874,
"volume_molar": 8.659511200149172,
"formula_full": "Al2 Os1 Ru1",
"formula_reduced": "Al2OsRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3839677750000003,
"spacegroup": 12
},
{
"id": "jvasp-10565",
"created_at": "2022-09-04T14:37:07.420021Z",
"updated_at": "2022-09-04T14:37:07.420039Z",
"structure_string": "K2 Ag6 Se4\n1.0\n4.381087 0.000000 -0.000000\n-2.190544 7.474594 -3.529443\n-0.000000 0.059633 8.754183\nK Ag Se\n2 6 4\ndirect\n0.864270 0.728537 0.952562 K\n0.135731 0.271462 0.047438 K\n0.941188 0.882373 0.595214 Ag\n0.058814 0.117626 0.404786 Ag\n0.311691 0.623382 0.569414 Ag\n0.688310 0.376617 0.430585 Ag\n0.405976 0.811949 0.352280 Ag\n0.594026 0.188050 0.647720 Ag\n0.515661 0.031320 0.205438 Se\n0.484340 0.968679 0.794561 Se\n0.795495 0.590989 0.279831 Se\n0.204506 0.409010 0.720169 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Ag",
"Se"
],
"chemical_system": "Ag-K-Se",
"density": 6.012049779306659,
"density_atomic": 0.04172549079914478,
"volume": 287.5939808057562,
"volume_molar": 14.432761951175017,
"formula_full": "K2 Ag6 Se4",
"formula_reduced": "KAg3Se2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.2124679811111112,
"spacegroup": 12
},
{
"id": "jvasp-14171",
"created_at": "2022-09-04T14:37:07.341897Z",
"updated_at": "2022-09-04T14:37:07.341920Z",
"structure_string": "Tl2 Fe2 Se4\n1.0\n5.280899 -0.000000 0.000000\n-2.640449 5.282404 -2.783607\n0.000000 0.004898 7.010182\nTl Fe Se\n2 2 4\ndirect\n0.822301 0.644602 0.375931 Tl\n0.177699 0.355398 0.624069 Tl\n0.248986 0.000000 0.000000 Fe\n0.751015 0.000000 0.000000 Fe\n0.535734 0.071468 0.285056 Se\n0.464266 0.928531 0.714943 Se\n0.169831 0.339662 0.076607 Se\n0.830168 0.660338 0.923392 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Tl",
"density": 7.0987321473806055,
"density_atomic": 0.04089416527469935,
"volume": 195.62692981410453,
"volume_molar": 14.726161347339726,
"formula_full": "Tl2 Fe2 Se4",
"formula_reduced": "TlFeSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3169637083333332,
"spacegroup": 12
},
{
"id": "jvasp-30345",
"created_at": "2022-09-04T14:37:07.473711Z",
"updated_at": "2022-09-04T14:37:07.473738Z",
"structure_string": "Fe1 Co5 O12\n1.0\n2.436778 4.232789 -0.000375\n-2.460909 4.234533 -0.000187\n-0.000421 -0.000729 8.720647\nFe Co O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Fe\n0.166721 0.666558 0.500000 Co\n0.666677 0.666646 0.000000 Co\n0.333323 0.333354 0.000000 Co\n0.833279 0.333441 0.500001 Co\n0.500000 -0.000000 0.500000 Co\n-0.000190 0.331611 0.892795 O\n0.331687 -0.000000 0.107246 O\n0.668578 0.331611 0.107205 O\n0.833190 0.666692 0.606593 O\n0.166517 -0.000000 0.606468 O\n0.166810 0.333308 0.393407 O\n0.500119 0.666692 0.393407 O\n0.668313 -0.000000 0.892755 O\n0.331422 0.668388 0.892795 O\n0.000189 0.668388 0.107205 O\n0.499881 0.333307 0.606593 O\n0.833484 -0.000000 0.393533 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-O",
"density": 4.981917046504264,
"density_atomic": 0.09954446915011463,
"volume": 180.82370777281173,
"volume_molar": 6.0496990052943245,
"formula_full": "Fe1 Co5 O12",
"formula_reduced": "FeCo5O12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.3486745555555557,
"spacegroup": 12
},
{
"id": "jvasp-34199",
"created_at": "2022-09-04T14:37:07.490913Z",
"updated_at": "2022-09-04T14:37:07.490930Z",
"structure_string": "Rb2 C4 O4\n1.0\n4.458250 0.047975 0.232598\n0.248007 5.718639 2.593878\n0.118032 -0.091164 6.282576\nRb C O\n2 4 4\ndirect\n0.697623 0.655995 0.655995 Rb\n0.302377 0.344006 0.344006 Rb\n0.104854 0.158356 0.943372 C\n0.895147 0.056633 0.841644 C\n0.895146 0.841644 0.056629 C\n0.104852 0.943367 0.158357 C\n0.227331 0.351001 0.872850 O\n0.227334 0.872850 0.351000 O\n0.772666 0.127150 0.649001 O\n0.772669 0.649000 0.127151 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 2.918462105486419,
"density_atomic": 0.06210911740938759,
"volume": 161.00695706373912,
"volume_molar": 9.696065587771132,
"formula_full": "Rb2 C4 O4",
"formula_reduced": "Rb(CO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.1757393999999994,
"spacegroup": 12
},
{
"id": "jvasp-32943",
"created_at": "2022-09-04T14:37:07.537304Z",
"updated_at": "2022-09-04T14:37:07.537326Z",
"structure_string": "As1 N1 O2 F6\n1.0\n5.184418 0.456674 -0.060770\n-0.224646 5.199640 -0.060770\n0.174648 0.199176 4.732649\nAs N O F\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n0.586714 0.586714 0.690715 O\n0.413286 0.413286 0.309285 O\n0.199463 0.199464 0.787826 F\n0.084202 0.735404 0.783187 F\n0.735404 0.084202 0.783187 F\n0.264596 0.915798 0.216813 F\n0.915798 0.264596 0.216813 F\n0.800537 0.800536 0.212174 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "As-F-N-O",
"density": 3.0432996444065514,
"density_atomic": 0.07801537706604422,
"volume": 128.17985858780713,
"volume_molar": 7.719171510126693,
"formula_full": "As1 N1 O2 F6",
"formula_reduced": "AsN(OF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2166093695,
"spacegroup": 12
},
{
"id": "jvasp-9695",
"created_at": "2022-09-04T14:37:07.587354Z",
"updated_at": "2022-09-04T14:37:07.587371Z",
"structure_string": "Li5 Re1 O6\n1.0\n4.950251 0.005627 -0.859568\n-1.314149 4.173728 -2.510683\n0.002548 -0.000476 5.044851\nLi Re O\n5 1 6\ndirect\n0.000000 0.333695 0.666305 Li\n0.000000 0.666305 0.333696 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.178185 0.821814 Li\n0.500000 0.821815 0.178186 Li\n0.000000 0.000000 0.000000 Re\n0.235703 0.386941 0.077751 O\n0.235703 0.077751 0.386941 O\n0.764297 0.922250 0.613059 O\n0.764297 0.613059 0.922249 O\n0.771065 0.230877 0.230877 O\n0.228935 0.769123 0.769123 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.04680690049055,
"density_atomic": 0.11508403647412224,
"volume": 104.27162939056552,
"volume_molar": 5.2328202455378205,
"formula_full": "Li5 Re1 O6",
"formula_reduced": "Li5ReO6",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.3489107500000004,
"spacegroup": 12
},
{
"id": "jvasp-7825",
"created_at": "2022-09-04T14:37:07.636364Z",
"updated_at": "2022-09-04T14:37:07.636384Z",
"structure_string": "Ge2 Pt6\n1.0\n4.944664 0.032865 2.750140\n-1.547010 4.696546 2.750140\n0.050913 0.070868 5.525492\nGe Pt\n2 6\ndirect\n0.725318 0.725320 0.496049 Ge\n0.274681 0.274682 0.503950 Ge\n0.731351 0.268650 0.499999 Pt\n0.268648 0.731353 0.499999 Pt\n0.272698 0.272698 0.059861 Pt\n0.727302 0.727304 0.940138 Pt\n0.199659 0.800342 -0.000001 Pt\n0.800341 0.199660 -0.000000 Pt\n",
"nsites": 8,
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"elements": [
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"Pt"
],
"chemical_system": "Ge-Pt",
"density": 17.24743195891215,
"density_atomic": 0.06315107223737972,
"volume": 126.68035104659276,
"volume_molar": 9.536086319109938,
"formula_full": "Ge2 Pt6",
"formula_reduced": "GePt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0927850375,
"spacegroup": 12
}
]
}