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=-created_at&page=503",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=501",
"results": [
{
"id": "jvasp-116015",
"created_at": "2022-09-04T14:38:40.548179Z",
"updated_at": "2022-09-04T14:38:40.548194Z",
"structure_string": "Li1 Mn1 F1\n1.0\n2.414471 -0.000000 -0.000000\n0.000000 2.414471 -0.000000\n-0.000000 -0.000000 5.992842\nLi Mn F\n1 1 1\ndirect\n0.000000 0.000000 0.591596 Li\n0.000000 0.000000 0.003321 Mn\n0.000000 0.000000 0.314542 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.84414466478135,
"density_atomic": 0.0858705886362885,
"volume": 34.93629247968395,
"volume_molar": 7.01304236483954,
"formula_full": "Li1 Mn1 F1",
"formula_reduced": "LiMnF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1786358412931035,
"spacegroup": 99
},
{
"id": "jvasp-114405",
"created_at": "2022-09-04T14:38:40.537477Z",
"updated_at": "2022-09-04T14:38:40.537505Z",
"structure_string": "Y1 Zr1 O3\n1.0\n4.107301 0.000000 -0.000000\n-0.000000 4.107301 -0.000000\n0.000000 0.000000 4.107301\nY Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Zr",
"O"
],
"chemical_system": "O-Y-Zr",
"density": 5.467114793890283,
"density_atomic": 0.07216064585495605,
"volume": 69.28984546576916,
"volume_molar": 8.345464052670193,
"formula_full": "Y1 Zr1 O3",
"formula_reduced": "YZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.46832209,
"spacegroup": 221
},
{
"id": "jvasp-112482",
"created_at": "2022-09-04T14:38:40.535669Z",
"updated_at": "2022-09-04T14:38:40.535696Z",
"structure_string": "Cr5 Se8\n1.0\n5.618652 -0.018683 3.859693\n0.957939 5.536420 3.859693\n0.004957 0.004159 8.432190\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270207 0.270207 0.987153 Cr\n0.729794 0.729794 0.012846 Cr\n0.271575 0.728426 0.499999 Cr\n0.728426 0.271575 0.499999 Cr\n0.974992 0.974993 0.325294 Se\n0.025008 0.025008 0.674705 Se\n0.450797 0.450797 0.333914 Se\n0.549204 0.549204 0.666085 Se\n0.033168 0.544467 0.170995 Se\n0.544467 0.033168 0.170995 Se\n0.966832 0.455534 0.829004 Se\n0.455533 0.966833 0.829004 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.645430452206917,
"density_atomic": 0.04956690343404037,
"volume": 262.27178014659216,
"volume_molar": 12.14951982629655,
"formula_full": "Cr5 Se8",
"formula_reduced": "Cr5Se8",
"formula_anonymous": "A5B8",
"energy_above_hull": 3.27444337948718,
"spacegroup": 12
},
{
"id": "jvasp-114209",
"created_at": "2022-09-04T14:38:40.535063Z",
"updated_at": "2022-09-04T14:38:40.535086Z",
"structure_string": "Mg1 Cr1 F3\n1.0\n3.938493 0.000000 -0.000000\n0.000000 3.938493 0.000000\n-0.000000 0.000000 3.938493\nMg Cr F\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Mg\n0.000000 0.000000 0.000000 Cr\n0.499999 0.499999 0.000000 F\n0.499999 0.000000 0.499999 F\n0.000000 0.499999 0.499999 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mg",
"density": 3.6230722072374197,
"density_atomic": 0.08184266649482581,
"volume": 61.092828644776695,
"volume_molar": 7.358192270508105,
"formula_full": "Mg1 Cr1 F3",
"formula_reduced": "MgCrF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2475434594999997,
"spacegroup": 221
},
{
"id": "jvasp-112458",
"created_at": "2022-09-04T14:38:40.532716Z",
"updated_at": "2022-09-04T14:38:40.532743Z",
"structure_string": "Mn6 O5 F7\n1.0\n4.639110 -0.007702 0.093907\n0.112684 5.595024 0.338394\n0.001192 -0.048634 7.800980\nMn O F\n6 5 7\ndirect\n0.526617 0.507394 0.000800 Mn\n0.522970 0.842903 0.669151 Mn\n0.457082 0.187630 0.348688 Mn\n0.990603 0.325072 0.675655 Mn\n0.007576 0.653490 0.310739 Mn\n0.971165 0.988165 0.992516 Mn\n0.316442 0.475212 0.225409 O\n0.300746 0.123420 0.573660 O\n0.697509 0.542703 0.768954 O\n0.812119 0.703542 0.094750 O\n0.800637 0.045084 0.778637 O\n0.804550 0.360069 0.431266 F\n0.699039 0.190348 0.120316 F\n0.704366 0.862046 0.420213 F\n0.289132 0.798862 0.896044 F\n0.194456 0.625263 0.557362 F\n0.194834 0.978975 0.216962 F\n0.210142 0.289826 0.918877 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.448141456632586,
"density_atomic": 0.08886094526851619,
"volume": 202.56367907868156,
"volume_molar": 6.777038823751597,
"formula_full": "Mn6 O5 F7",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.425609051431993,
"spacegroup": 1
},
{
"id": "jvasp-114402",
"created_at": "2022-09-04T14:38:40.532553Z",
"updated_at": "2022-09-04T14:38:40.532580Z",
"structure_string": "Sr1 Te1 O1\n1.0\n5.151574 -0.000000 -0.000000\n-2.575787 4.461394 0.000000\n0.000000 0.000000 4.733511\nSr Te O\n1 1 1\ndirect\n0.333332 0.666665 0.000000 Sr\n0.666665 0.333333 0.000000 Te\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Te",
"O"
],
"chemical_system": "O-Sr-Te",
"density": 3.529225878908179,
"density_atomic": 0.027575750595275988,
"volume": 108.79123633044212,
"volume_molar": 21.838537954544943,
"formula_full": "Sr1 Te1 O1",
"formula_reduced": "SrTeO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6936691922222226,
"spacegroup": 187
},
{
"id": "jvasp-99973",
"created_at": "2022-09-04T14:38:40.530312Z",
"updated_at": "2022-09-04T14:38:40.530339Z",
"structure_string": "La1 Al1 Cu1 Ni3\n1.0\n4.080876 0.000000 0.000000\n0.000000 4.408808 2.379255\n0.000000 -0.042910 5.141562\nLa Al Cu Ni\n1 1 1 3\ndirect\n0.000000 0.500000 0.499999 La\n0.500000 0.000000 0.000000 Al\n0.500000 -0.000000 0.500000 Cu\n0.000000 0.172337 0.155280 Ni\n0.000000 0.827663 0.844719 Ni\n0.500000 0.500000 -0.000001 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"La",
"Al",
"Cu",
"Ni"
],
"chemical_system": "Al-Cu-La-Ni",
"density": 7.246575775189356,
"density_atomic": 0.0645698809840604,
"volume": 92.92258106347057,
"volume_molar": 9.326547715778839,
"formula_full": "La1 Al1 Cu1 Ni3",
"formula_reduced": "LaAlCuNi3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.0826059083333337,
"spacegroup": 10
},
{
"id": "jvasp-114385",
"created_at": "2022-09-04T14:38:40.527191Z",
"updated_at": "2022-09-04T14:38:40.527222Z",
"structure_string": "Zn2 S1 O2\n1.0\n3.299972 0.000000 0.000000\n-1.649986 2.857859 0.000000\n0.000000 0.000000 7.504476\nZn S O\n2 1 2\ndirect\n0.666667 0.333334 0.331366 Zn\n0.333334 0.666667 0.668634 Zn\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.353792 O\n0.666667 0.333334 0.646208 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"S",
"O"
],
"chemical_system": "O-S-Zn",
"density": 4.572449881147467,
"density_atomic": 0.07064778961357895,
"volume": 70.77362260515746,
"volume_molar": 8.524174348467524,
"formula_full": "Zn2 S1 O2",
"formula_reduced": "Zn2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6056035599999996,
"spacegroup": 164
},
{
"id": "jvasp-114314",
"created_at": "2022-09-04T14:38:40.521452Z",
"updated_at": "2022-09-04T14:38:40.521489Z",
"structure_string": "In1 S1\n1.0\n4.503598 -0.000000 -0.000000\n-2.251799 3.900230 -0.000000\n-0.000000 -0.000000 3.872596\nIn S\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.333332 0.666666 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 3.585655843291617,
"density_atomic": 0.029402074048978866,
"volume": 68.0224121831793,
"volume_molar": 20.48202705009223,
"formula_full": "In1 S1",
"formula_reduced": "InS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4379299849999999,
"spacegroup": 187
},
{
"id": "jvasp-114332",
"created_at": "2022-09-04T14:38:40.520392Z",
"updated_at": "2022-09-04T14:38:40.520417Z",
"structure_string": "Li1 P1 W1\n1.0\n2.637650 0.000000 0.000000\n-0.000000 2.637650 -0.000000\n0.000000 0.000000 7.344709\nLi P W\n1 1 1\ndirect\n0.000000 0.000000 0.349489 Li\n0.000000 0.000000 0.666295 P\n0.000000 0.000000 -0.009025 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"P",
"W"
],
"chemical_system": "Li-P-W",
"density": 7.206313059479737,
"density_atomic": 0.05871003341043534,
"volume": 51.09859125828344,
"volume_molar": 10.257430306502947,
"formula_full": "Li1 P1 W1",
"formula_reduced": "LiPW",
"formula_anonymous": "ABC",
"energy_above_hull": 3.6406685,
"spacegroup": 99
},
{
"id": "jvasp-114450",
"created_at": "2022-09-04T14:38:40.519634Z",
"updated_at": "2022-09-04T14:38:40.519655Z",
"structure_string": "Ba2 Au1 O3\n1.0\n-1.885846 2.226210 6.704966\n1.885846 -2.226210 6.704966\n1.885846 2.226210 -6.704966\nBa Au O\n2 1 3\ndirect\n0.145865 0.645866 0.500001 Ba\n0.854135 0.354135 0.500000 Ba\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 O\n0.342892 0.842893 0.500001 O\n0.657108 0.157108 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Au",
"O"
],
"chemical_system": "Au-Ba-O",
"density": 7.663108977322372,
"density_atomic": 0.05328712936072121,
"volume": 112.59754601122678,
"volume_molar": 11.301304521836403,
"formula_full": "Ba2 Au1 O3",
"formula_reduced": "Ba2AuO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9826700016666664,
"spacegroup": 71
},
{
"id": "jvasp-112378",
"created_at": "2022-09-04T14:38:40.518849Z",
"updated_at": "2022-09-04T14:38:40.518883Z",
"structure_string": "Ba3 La2 Ti2 Nb2 O15\n1.0\n5.709226 0.000000 0.000000\n-2.854613 4.944335 0.000000\n-0.000000 -0.000000 11.635147\nBa La Ti Nb O\n3 2 2 2 15\ndirect\n0.666667 0.333333 0.578321 Ba\n0.333334 0.666666 0.421679 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.213703 La\n0.333334 0.666666 0.786297 La\n0.666667 0.333333 0.902827 Ti\n0.333334 0.666666 0.097173 Ti\n0.000000 0.000000 0.308252 Nb\n0.000000 0.000000 0.691749 Nb\n0.500000 -0.000000 -0.000000 O\n0.169391 0.830609 0.192880 O\n0.169390 0.338780 0.192880 O\n0.661220 0.830609 0.192880 O\n0.830610 0.169390 0.807121 O\n0.830610 0.661219 0.807121 O\n0.827583 0.172418 0.381550 O\n0.172418 0.827581 0.618450 O\n0.172418 0.344836 0.618450 O\n0.655165 0.827581 0.618450 O\n0.500000 0.500000 -0.000000 O\n0.827583 0.655164 0.381550 O\n0.344836 0.172418 0.381550 O\n0.338781 0.169390 0.807121 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O-Ti",
"density": 6.124271918146498,
"density_atomic": 0.07307254675189837,
"volume": 328.44072181426327,
"volume_molar": 8.241317742006235,
"formula_full": "Ba3 La2 Ti2 Nb2 O15",
"formula_reduced": "Ba3La2Ti2Nb2O15",
"formula_anonymous": "A2B2C2D3E15",
"energy_above_hull": 2.936079411527777,
"spacegroup": 164
}
]
}