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&page=1568",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1566",
"results": [
{
"id": "jvasp-44101",
"created_at": "2022-09-04T14:36:20.796424Z",
"updated_at": "2022-09-04T14:36:20.796447Z",
"structure_string": "Fe6 O7 F5\n1.0\n4.545762 0.013488 -0.007466\n0.076259 5.458459 0.051898\n0.091241 0.574001 7.508105\nFe O F\n6 7 5\ndirect\n0.531050 0.845252 0.654649 Fe\n0.495968 0.498167 0.003032 Fe\n0.479192 0.162981 0.355917 Fe\n0.005455 0.338765 0.695319 Fe\n0.983466 0.656151 0.311332 Fe\n0.980537 -0.000493 0.982068 Fe\n0.207050 0.303132 0.910227 O\n0.304642 0.447684 0.239003 O\n0.296733 0.135154 0.572001 O\n0.699136 0.550658 0.762702 O\n0.788905 0.695402 0.090663 O\n0.784562 0.038485 0.761139 O\n0.701024 0.869611 0.433757 O\n0.214776 0.953090 0.217229 F\n0.808267 0.364960 0.447114 F\n0.710062 0.191417 0.124280 F\n0.299465 0.806805 0.879341 F\n0.209707 0.642781 0.560220 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.835188108446635,
"density_atomic": 0.0966921397926518,
"volume": 186.15784115026818,
"volume_molar": 6.228159572136863,
"formula_full": "Fe6 O7 F5",
"formula_reduced": "Fe6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.473246050694444,
"spacegroup": 1
},
{
"id": "jvasp-112269",
"created_at": "2022-09-04T14:38:26.511892Z",
"updated_at": "2022-09-04T14:38:26.511925Z",
"structure_string": "Dy2 Fe8 Si4\n1.0\n7.088231 -0.000000 0.000000\n0.000000 7.088231 0.000000\n-0.000000 -0.000000 3.705093\nDy Fe Si\n2 8 4\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.646940 0.917326 0.500000 Fe\n0.353060 0.082674 0.500000 Fe\n0.146940 0.582674 -0.000000 Fe\n0.853060 0.417326 -0.000000 Fe\n0.917326 0.646940 0.500000 Fe\n0.082674 0.353060 0.500000 Fe\n0.582674 0.146940 -0.000000 Fe\n0.417326 0.853060 -0.000000 Fe\n0.780433 0.219567 0.500000 Si\n0.219567 0.780433 0.500000 Si\n0.280433 0.280433 -0.000000 Si\n0.719567 0.719567 -0.000000 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"Si"
],
"chemical_system": "Dy-Fe-Si",
"density": 7.886360618710452,
"density_atomic": 0.07520612242136149,
"volume": 186.1550569189225,
"volume_molar": 8.007513971082593,
"formula_full": "Dy2 Fe8 Si4",
"formula_reduced": "Dy(Fe2Si)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.424329385714285,
"spacegroup": 136
},
{
"id": "jvasp-9680",
"created_at": "2022-09-04T14:38:03.456553Z",
"updated_at": "2022-09-04T14:38:03.456575Z",
"structure_string": "Ca4 Sn2 O8\n1.0\n3.299105 0.000000 0.000000\n0.000000 5.781592 0.000000\n0.000000 -0.000000 9.759380\nCa Sn O\n4 2 8\ndirect\n0.499999 0.070795 0.318424 Ca\n0.499999 0.929205 0.681576 Ca\n0.499999 0.429205 0.818424 Ca\n0.499999 0.570795 0.181576 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.136268 0.805772 O\n0.000000 0.863731 0.194228 O\n0.000000 0.636268 0.694228 O\n0.000000 0.363731 0.305772 O\n0.499999 0.270289 0.548480 O\n0.499999 0.729711 0.451520 O\n0.499999 0.229711 0.048480 O\n0.499999 0.770289 0.951520 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 4.689685698286731,
"density_atomic": 0.07520768635711063,
"volume": 186.151185844535,
"volume_molar": 8.00734745569078,
"formula_full": "Ca4 Sn2 O8",
"formula_reduced": "Ca2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1260188904761903,
"spacegroup": 55
},
{
"id": "jvasp-9883",
"created_at": "2022-09-04T14:38:14.051795Z",
"updated_at": "2022-09-04T14:38:14.051826Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n4.872265 -0.000000 -2.558002\n-1.342983 4.683521 -2.558002\n0.667146 0.885335 7.189866\nCa Cu O\n2 4 8\ndirect\n0.375001 0.624999 0.750001 Ca\n0.625001 0.375000 0.250001 Ca\n0.000000 -0.000001 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500001 -0.000001 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.760801 0.787726 0.521602 O\n0.766128 0.239199 0.978399 O\n0.212274 0.239199 0.978399 O\n0.239200 0.212273 0.478399 O\n0.239201 0.766126 0.478399 O\n0.233873 0.760800 0.021602 O\n0.760801 0.233872 0.521602 O\n0.787728 0.760800 0.021602 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.124532149903815,
"density_atomic": 0.07521365117393136,
"volume": 186.13642312916093,
"volume_molar": 8.006712433190906,
"formula_full": "Ca2 Cu4 O8",
"formula_reduced": "Ca(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1687393314285712,
"spacegroup": 141
},
{
"id": "jvasp-119063",
"created_at": "2022-09-04T14:38:33.513669Z",
"updated_at": "2022-09-04T14:38:33.513697Z",
"structure_string": "Tm1 Co12 B6\n1.0\n5.754841 0.003055 -1.444598\n-1.852749 5.448442 -1.444598\n0.002186 0.003055 5.933384\nTm Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.185941 0.453675 0.453675 Co\n0.453676 0.453675 0.185940 Co\n0.453676 0.185940 0.453675 Co\n0.546324 0.546323 0.814058 Co\n0.546324 0.814058 0.546323 Co\n0.814059 0.546323 0.546323 Co\n0.132070 0.499999 0.867929 Co\n0.500000 0.867930 0.132069 Co\n0.867930 0.499999 0.132069 Co\n0.500000 0.132068 0.867929 Co\n0.132069 0.867930 0.499999 Co\n0.867930 0.132068 0.499999 Co\n0.233074 0.233074 0.679846 B\n0.766925 0.320152 0.766924 B\n0.766925 0.766924 0.320152 B\n0.320153 0.766924 0.766924 B\n0.233074 0.679846 0.233074 B\n0.679847 0.233074 0.233074 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tm",
"Co",
"B"
],
"chemical_system": "B-Co-Tm",
"density": 8.395238968761516,
"density_atomic": 0.10208186880018273,
"volume": 186.1251192137853,
"volume_molar": 5.899324562511556,
"formula_full": "Tm1 Co12 B6",
"formula_reduced": "Tm(Co2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 4.470644239473684,
"spacegroup": 166
},
{
"id": "jvasp-90419",
"created_at": "2022-09-04T14:36:04.913247Z",
"updated_at": "2022-09-04T14:36:04.913266Z",
"structure_string": "Cr4 Te4\n1.0\n0.000000 0.000000 -4.118234\n0.000000 -6.337407 -0.000000\n-7.131376 0.000000 0.000000\nCr Te\n4 4\ndirect\n0.749999 0.500018 0.750055 Cr\n0.749999 0.000018 0.749946 Cr\n0.250000 0.499983 0.249945 Cr\n0.250000 -0.000018 0.250055 Cr\n0.749999 0.249957 0.083352 Te\n0.749999 0.749957 0.416649 Te\n0.250000 0.750044 0.916649 Te\n0.250000 0.250044 0.583352 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.409291678603494,
"density_atomic": 0.042982733671594706,
"volume": 186.1212472227384,
"volume_molar": 14.010604365026122,
"formula_full": "Cr4 Te4",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.9111225833333332,
"spacegroup": 194
},
{
"id": "jvasp-14313",
"created_at": "2022-09-04T14:37:06.704748Z",
"updated_at": "2022-09-04T14:37:06.704773Z",
"structure_string": "Yb4 F12\n1.0\n4.105835 0.000000 0.000000\n0.000000 6.433088 0.000000\n0.000000 0.000000 7.046481\nYb F\n4 12\ndirect\n0.932922 0.614295 0.750000 Yb\n0.432923 0.885705 0.250000 Yb\n0.567076 0.114295 0.750000 Yb\n0.067076 0.385705 0.250000 Yb\n0.072125 0.961885 0.750000 F\n0.572125 0.538115 0.250000 F\n0.427874 0.461885 0.750000 F\n0.927873 0.038115 0.250000 F\n0.390002 0.183084 0.054361 F\n0.890001 0.316916 0.945639 F\n0.109998 0.683084 0.445639 F\n0.609997 0.816916 0.554361 F\n0.609997 0.816916 0.945639 F\n0.109998 0.683084 0.054361 F\n0.890001 0.316916 0.554361 F\n0.390002 0.183084 0.445639 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"F"
],
"chemical_system": "F-Yb",
"density": 8.209375742567783,
"density_atomic": 0.08596599864259641,
"volume": 186.1200969294848,
"volume_molar": 7.005258887338758,
"formula_full": "Yb4 F12",
"formula_reduced": "YbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1989275706249998,
"spacegroup": 62
},
{
"id": "jvasp-34313",
"created_at": "2022-09-04T14:37:13.666772Z",
"updated_at": "2022-09-04T14:37:13.666795Z",
"structure_string": "K4 C2 O6\n1.0\n5.538718 0.000000 0.879807\n2.769360 5.044231 0.439904\n0.291908 -0.000000 6.708081\nK C O\n4 2 6\ndirect\n0.666129 0.667742 0.750000 K\n0.333872 0.332258 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.668036 0.663928 0.250000 C\n0.331964 0.336072 0.750000 C\n0.225605 0.207831 0.684398 O\n0.202921 0.594160 0.750000 O\n0.797080 0.405840 0.250000 O\n0.774396 0.792168 0.315602 O\n0.566564 0.207831 0.815602 O\n0.433437 0.792168 0.184398 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.466120655444033,
"density_atomic": 0.0644749697661514,
"volume": 186.11873791525,
"volume_molar": 9.34027698165987,
"formula_full": "K4 C2 O6",
"formula_reduced": "K2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7912827499999997,
"spacegroup": 15
},
{
"id": "jvasp-92342",
"created_at": "2022-09-04T14:35:48.575837Z",
"updated_at": "2022-09-04T14:35:48.575862Z",
"structure_string": "Cr4 Te4\n1.0\n4.118170 -0.000000 0.000000\n0.000000 6.336665 0.000000\n0.000000 0.000000 7.131960\nCr Te\n4 4\ndirect\n0.750000 0.999980 0.749991 Cr\n0.250000 0.000020 0.250009 Cr\n0.750000 0.499980 0.750009 Cr\n0.250000 0.500019 0.249991 Cr\n0.750000 0.749995 0.416656 Te\n0.250000 0.250005 0.583344 Te\n0.750000 0.249996 0.083344 Te\n0.250000 0.750004 0.916656 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.409616906665159,
"density_atomic": 0.042984914753664,
"volume": 186.1118033116045,
"volume_molar": 14.009893457998956,
"formula_full": "Cr4 Te4",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.9111025833333333,
"spacegroup": 194
},
{
"id": "jvasp-201",
"created_at": "2022-09-04T14:37:46.455579Z",
"updated_at": "2022-09-04T14:37:46.455608Z",
"structure_string": "Cr4 Te4\n1.0\n4.118171 0.000000 0.000000\n0.000000 6.336663 0.000000\n0.000000 0.000000 7.131959\nCr Te\n4 4\ndirect\n0.750000 0.999980 0.250009 Cr\n0.250000 0.000019 0.749992 Cr\n0.750000 0.499980 0.249991 Cr\n0.250000 0.500019 0.750009 Cr\n0.750000 0.749995 0.583344 Te\n0.250000 0.250004 0.416656 Te\n0.750000 0.249995 0.916656 Te\n0.250000 0.750004 0.083344 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.409618271985074,
"density_atomic": 0.04298492390993044,
"volume": 186.11176366772233,
"volume_molar": 14.009890473735972,
"formula_full": "Cr4 Te4",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.9111075833333333,
"spacegroup": 194
},
{
"id": "jvasp-10460",
"created_at": "2022-09-04T14:36:31.019714Z",
"updated_at": "2022-09-04T14:36:31.019733Z",
"structure_string": "Na2 Li4 As2 O8\n1.0\n5.070476 0.000000 0.000000\n0.000000 5.219138 0.000000\n0.000000 0.000000 7.032663\nNa Li As O\n2 4 2 8\ndirect\n0.521301 0.786375 0.000000 Na\n0.021300 0.213626 0.500000 Na\n0.508074 0.321743 0.250213 Li\n0.008073 0.678257 0.750212 Li\n0.508074 0.321743 0.749787 Li\n0.008073 0.678257 0.249787 Li\n0.499128 0.810778 0.500000 As\n0.999129 0.189223 0.000000 As\n0.063348 0.863468 0.000000 O\n0.660591 0.229893 0.000000 O\n0.563348 0.136532 0.500000 O\n0.160590 0.770108 0.500000 O\n0.129794 0.329720 0.199914 O\n0.629794 0.670280 0.300086 O\n0.629794 0.670280 0.699913 O\n0.129794 0.329720 0.800086 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Li",
"As",
"O"
],
"chemical_system": "As-Li-Na-O",
"density": 3.1369553369547605,
"density_atomic": 0.08597113574549232,
"volume": 186.10897554460794,
"volume_molar": 7.004840296431418,
"formula_full": "Na2 Li4 As2 O8",
"formula_reduced": "NaLi2AsO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.59126809375,
"spacegroup": 31
},
{
"id": "jvasp-50020",
"created_at": "2022-09-04T14:37:14.518141Z",
"updated_at": "2022-09-04T14:37:14.518175Z",
"structure_string": "Ti6 N4 O6\n1.0\n3.839403 0.000000 -0.000000\n-1.919702 4.899759 -0.000000\n0.000000 -0.000000 9.893011\nTi N O\n6 4 6\ndirect\n0.199379 0.398757 0.250000 Ti\n0.143403 0.286806 0.946825 Ti\n0.143403 0.286806 0.553175 Ti\n0.800621 0.601243 0.750000 Ti\n0.856597 0.713194 0.053175 Ti\n0.856597 0.713194 0.446825 Ti\n0.307694 0.615388 0.423008 N\n0.307694 0.615388 0.076992 N\n0.692306 0.384612 0.576992 N\n0.692306 0.384612 0.923008 N\n0.248971 0.497941 0.750000 O\n0.044796 0.089590 0.118432 O\n0.044796 0.089590 0.381568 O\n0.955204 0.910410 0.881568 O\n0.751029 0.502059 0.250000 O\n0.955204 0.910410 0.618432 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Ti",
"density": 3.918947410172639,
"density_atomic": 0.0859712163810379,
"volume": 186.10880098619862,
"volume_molar": 7.004833726335718,
"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.910889,
"spacegroup": 63
}
]
}