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=density_atomic&page=3647",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=3645",
"results": [
{
"id": "jvasp-112443",
"created_at": "2022-09-04T14:38:40.487400Z",
"updated_at": "2022-09-04T14:38:40.487427Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.759159 -0.000000 0.000000\n0.000000 4.780368 0.000000\n-0.000000 -0.000000 9.755010\nMn O F\n6 2 10\ndirect\n0.781308 0.023476 -0.000000 Mn\n0.753312 0.984095 0.342551 Mn\n0.753312 0.984095 0.657449 Mn\n0.246688 0.484095 0.842551 Mn\n0.246688 0.484095 0.157449 Mn\n0.218693 0.523476 0.500000 Mn\n0.928652 0.805853 0.500000 O\n0.071348 0.305852 -0.000000 O\n0.563920 0.190211 0.176492 F\n0.436080 0.690211 0.676492 F\n0.436080 0.690211 0.323508 F\n0.478563 0.712485 -0.000000 F\n0.958348 0.804637 0.167600 F\n0.041652 0.304637 0.332400 F\n0.958348 0.804637 0.832400 F\n0.521437 0.212485 0.500000 F\n0.041652 0.304637 0.667600 F\n0.563920 0.190211 0.823508 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.1272695360680185,
"density_atomic": 0.08110604814594821,
"volume": 221.9316612197585,
"volume_molar": 7.425020572033439,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.634255181848659,
"spacegroup": 31
},
{
"id": "jvasp-15570",
"created_at": "2022-09-04T14:36:36.287805Z",
"updated_at": "2022-09-04T14:36:36.287815Z",
"structure_string": "Ti1 Al1 Co2\n1.0\n3.564817 -0.000000 2.058148\n1.188272 3.360942 2.058148\n-0.000000 0.000000 4.116296\nTi Al Co\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250001 Co\n0.750000 0.750000 0.750002 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ti",
"density": 6.488728468197155,
"density_atomic": 0.08110640205463832,
"volume": 49.31793173743981,
"volume_molar": 7.424988172873348,
"formula_full": "Ti1 Al1 Co2",
"formula_reduced": "TiAlCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8578607333333337,
"spacegroup": 225
},
{
"id": "jvasp-80111",
"created_at": "2022-09-04T14:37:15.530059Z",
"updated_at": "2022-09-04T14:37:15.530078Z",
"structure_string": "Ti1 Al1 Co2\n1.0\n-2.910652 -2.910652 -0.000000\n-2.910652 0.000000 -2.910652\n0.000000 -2.910652 -2.910652\nTi Al Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Co\n0.749999 0.749999 0.749999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ti",
"density": 6.488788346932794,
"density_atomic": 0.08110715051388284,
"volume": 49.31747663007016,
"volume_molar": 7.424919654857324,
"formula_full": "Ti1 Al1 Co2",
"formula_reduced": "TiAlCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8578607333333337,
"spacegroup": 225
},
{
"id": "jvasp-106183",
"created_at": "2022-09-04T14:36:18.809965Z",
"updated_at": "2022-09-04T14:36:18.809989Z",
"structure_string": "Nb1 Cr1 O4\n1.0\n3.669348 -0.001970 -4.160346\n-0.525702 3.631444 -4.160312\n0.001770 0.002054 5.547311\nNb Cr O\n1 1 4\ndirect\n0.000009 -0.000004 0.000003 Nb\n0.749993 0.250004 0.499997 Cr\n0.542299 0.042295 0.500000 O\n0.210260 0.210265 -0.000006 O\n0.957705 0.457701 0.500000 O\n0.789735 0.789737 0.000003 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Nb-O",
"density": 4.68924581538796,
"density_atomic": 0.08110853294531864,
"volume": 73.97495407844512,
"volume_molar": 7.424793102915544,
"formula_full": "Nb1 Cr1 O4",
"formula_reduced": "NbCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2811884666666664,
"spacegroup": 119
},
{
"id": "jvasp-44421",
"created_at": "2022-09-04T14:38:17.089972Z",
"updated_at": "2022-09-04T14:38:17.089997Z",
"structure_string": "Li2 Fe1 Si3 O8\n1.0\n5.061715 0.059029 -0.100887\n1.790591 5.890627 0.023285\n1.638704 1.074214 5.787475\nLi Fe Si O\n2 1 3 8\ndirect\n0.248312 0.645917 0.147467 Li\n0.777112 0.327868 0.862999 Li\n0.658556 0.301662 0.361755 Fe\n0.297578 0.120327 0.179373 Si\n0.331231 0.746430 0.609761 Si\n0.728469 0.880263 0.811393 Si\n0.983616 0.186776 0.123369 O\n0.063168 0.752083 0.840368 O\n0.438421 0.337736 0.107763 O\n0.340146 0.561985 0.462451 O\n0.712412 0.139198 0.668382 O\n0.286515 0.010294 0.457604 O\n0.506269 0.892892 0.059450 O\n0.628181 0.695171 0.709261 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.712732746733051,
"density_atomic": 0.0811091115429171,
"volume": 172.6069948700179,
"volume_molar": 7.424740137627469,
"formula_full": "Li2 Fe1 Si3 O8",
"formula_reduced": "Li2FeSi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.781405664285714,
"spacegroup": 1
},
{
"id": "jvasp-65035",
"created_at": "2022-09-04T14:36:04.877986Z",
"updated_at": "2022-09-04T14:36:04.877999Z",
"structure_string": "Na1 Mn4 Be1\n1.0\n-0.000000 3.331818 3.331818\n3.331818 0.000000 3.331818\n3.331818 3.331818 -0.000000\nNa Mn Be\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.123176 0.625609 0.625609 Mn\n0.625609 0.625609 0.625609 Mn\n0.625609 0.123176 0.625609 Mn\n0.625609 0.625609 0.123176 Mn\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Be"
],
"chemical_system": "Be-Mn-Na",
"density": 5.651345999737413,
"density_atomic": 0.08111056831347369,
"volume": 73.97309776959496,
"volume_molar": 7.424606787029049,
"formula_full": "Na1 Mn4 Be1",
"formula_reduced": "NaMn4Be",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.4524356775862075,
"spacegroup": 216
},
{
"id": "jvasp-116513",
"created_at": "2022-09-04T14:38:41.135125Z",
"updated_at": "2022-09-04T14:38:41.135151Z",
"structure_string": "Li4 Tm4 O8\n1.0\n6.142442 0.000000 0.000000\n-0.000000 5.280271 2.853001\n0.000000 -0.036521 6.062204\nLi Tm O\n4 4 8\ndirect\n0.148346 0.720641 0.545791 Li\n0.648346 0.279359 0.954207 Li\n0.351654 0.720641 0.045792 Li\n0.851654 0.279359 0.454208 Li\n0.871181 0.761226 0.985392 Tm\n0.628819 0.761226 0.485392 Tm\n0.371181 0.238774 0.514607 Tm\n0.128819 0.238774 0.014607 Tm\n0.161096 0.995538 0.825300 O\n0.338904 0.995538 0.325300 O\n0.888952 0.540850 0.762829 O\n0.388952 0.459150 0.737170 O\n0.611048 0.540850 0.262829 O\n0.111048 0.459150 0.237171 O\n0.661096 0.004462 0.674699 O\n0.838904 0.004462 0.174699 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Tm",
"O"
],
"chemical_system": "Li-O-Tm",
"density": 6.999549740964719,
"density_atomic": 0.0811111957887915,
"volume": 197.26006803873295,
"volume_molar": 7.424549350352669,
"formula_full": "Li4 Tm4 O8",
"formula_reduced": "LiTmO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9003253125000001,
"spacegroup": 14
},
{
"id": "jvasp-93482",
"created_at": "2022-09-04T14:36:32.029948Z",
"updated_at": "2022-09-04T14:36:32.029968Z",
"structure_string": "Nb1 Cr1 O4\n1.0\n5.543788 0.194273 0.000000\n2.600915 4.899651 -0.000000\n-4.072352 -2.546962 2.774936\nNb Cr O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750001 0.250000 0.500001 Cr\n0.542291 0.042290 0.500001 O\n0.210273 0.210272 -0.000000 O\n0.957711 0.457709 0.500001 O\n0.789729 0.789727 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Nb-O",
"density": 4.689407135952337,
"density_atomic": 0.08111132326061146,
"volume": 73.97240926179866,
"volume_molar": 7.42453768218132,
"formula_full": "Nb1 Cr1 O4",
"formula_reduced": "NbCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2811918,
"spacegroup": 119
},
{
"id": "jvasp-15973",
"created_at": "2022-09-04T14:37:57.895768Z",
"updated_at": "2022-09-04T14:37:57.895790Z",
"structure_string": "Cr2 Co2 Ge2\n1.0\n2.047735 -3.546781 -0.000000\n2.047735 3.546781 0.000000\n-0.000000 0.000000 5.092482\nCr Co Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.333334 0.666668 0.750000 Co\n0.666668 0.333334 0.250000 Co\n0.666668 0.333334 0.750000 Ge\n0.333334 0.666668 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Ge"
],
"chemical_system": "Co-Cr-Ge",
"density": 8.241599538737939,
"density_atomic": 0.0811117227317064,
"volume": 73.9720449514582,
"volume_molar": 7.424501116712145,
"formula_full": "Cr2 Co2 Ge2",
"formula_reduced": "CrCoGe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.61169475,
"spacegroup": 194
},
{
"id": "jvasp-48244",
"created_at": "2022-09-04T14:35:43.757659Z",
"updated_at": "2022-09-04T14:35:43.757685Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.040844 0.000000 0.000000\n0.000000 6.631014 0.000000\n0.000000 0.000000 10.326990\nLi Fe Si O\n4 4 4 16\ndirect\n0.754779 0.496613 0.154305 Li\n0.254780 0.996613 0.345695 Li\n0.754779 0.003386 0.654305 Li\n0.254780 0.503386 0.845695 Li\n0.752602 0.995839 0.169371 Fe\n0.252602 0.495839 0.330629 Fe\n0.752602 0.504160 0.669371 Fe\n0.252602 0.004160 0.830629 Fe\n0.750715 0.760180 0.910320 Si\n0.250715 0.260180 0.589680 Si\n0.750715 0.739819 0.410320 Si\n0.250715 0.239819 0.089680 Si\n0.868714 0.554451 0.841336 O\n0.884558 0.954880 0.834686 O\n0.384558 0.454881 0.665314 O\n0.368714 0.054452 0.658664 O\n0.927417 0.267391 0.616293 O\n0.815360 0.737889 0.566070 O\n0.315360 0.262111 0.433930 O\n0.927417 0.232608 0.116293 O\n0.868714 0.945548 0.341336 O\n0.884558 0.545119 0.334686 O\n0.384558 0.045119 0.165314 O\n0.368714 0.445548 0.158664 O\n0.427417 0.767391 0.883707 O\n0.815360 0.762110 0.066070 O\n0.427417 0.732608 0.383707 O\n0.315360 0.237889 0.933930 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.98000439473401,
"density_atomic": 0.08111498133388775,
"volume": 345.18900873250055,
"volume_molar": 7.424202854971384,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438026871428572,
"spacegroup": 33
},
{
"id": "jvasp-89919",
"created_at": "2022-09-04T14:36:04.129518Z",
"updated_at": "2022-09-04T14:36:04.129527Z",
"structure_string": "Co3 Ni3 As3\n1.0\n0.000000 0.000000 -3.414402\n-3.062754 -5.304845 0.000000\n-3.062823 5.304886 0.000000\nCo Ni As\n3 3 3\ndirect\n0.500000 0.608308 -0.000001 Co\n0.500000 0.391672 0.391623 Co\n0.500000 0.000048 0.608376 Co\n0.000000 0.262770 -0.000000 Ni\n0.000000 0.737168 0.737181 Ni\n0.000000 -0.000013 0.262818 Ni\n0.000000 0.333326 0.666676 As\n0.000000 0.666649 0.333323 As\n0.500000 0.999969 -0.000001 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"Ni",
"As"
],
"chemical_system": "As-Co-Ni",
"density": 8.645174647303895,
"density_atomic": 0.08111599068301692,
"volume": 110.95222932269888,
"volume_molar": 7.424110473523247,
"formula_full": "Co3 Ni3 As3",
"formula_reduced": "CoNiAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.923051683333333,
"spacegroup": 189
},
{
"id": "jvasp-100136",
"created_at": "2022-09-04T14:36:35.903326Z",
"updated_at": "2022-09-04T14:36:35.903356Z",
"structure_string": "Ag2 As2 O6\n1.0\n4.588887 -0.003105 4.478824\n1.885138 4.183796 4.478824\n-0.004808 -0.003105 6.412311\nAg As O\n2 2 6\ndirect\n0.143674 0.143674 0.143674 Ag\n0.856327 0.856325 0.856325 Ag\n0.335866 0.335865 0.335866 As\n0.664135 0.664133 0.664133 As\n0.679865 0.057683 0.446958 O\n0.942316 0.553041 0.320135 O\n0.553043 0.320134 0.942315 O\n0.446958 0.679865 0.057684 O\n0.057685 0.446957 0.679864 O\n0.320136 0.942315 0.553041 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"As",
"O"
],
"chemical_system": "Ag-As-O",
"density": 6.217519464035472,
"density_atomic": 0.08111941999454216,
"volume": 123.27504314839548,
"volume_molar": 7.423796620347112,
"formula_full": "Ag2 As2 O6",
"formula_reduced": "AgAsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.789947902,
"spacegroup": 148
}
]
}