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=spacegroup&page=454",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=452",
"results": [
{
"id": "jvasp-77098",
"created_at": "2022-09-04T14:37:09.149560Z",
"updated_at": "2022-09-04T14:37:09.149579Z",
"structure_string": "Ti2 Ir1 Os1\n1.0\n-10.196932 2.042824 -2.551283\n-7.234359 1.203322 0.709492\n-6.391071 3.588497 -0.751124\nTi Ir Os\n2 1 1\ndirect\n0.744896 0.004077 0.004075 Ti\n0.255073 -0.004045 -0.004046 Ti\n0.500036 -0.000028 -0.000029 Ir\n-0.000005 -0.000002 -0.000002 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ir",
"Os"
],
"chemical_system": "Ir-Os-Ti",
"density": 12.92669215367204,
"density_atomic": 0.06511873933719876,
"volume": 61.42625058029985,
"volume_molar": 9.247938183839935,
"formula_full": "Ti2 Ir1 Os1",
"formula_reduced": "Ti2IrOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.445030691666667,
"spacegroup": 12
},
{
"id": "jvasp-11025",
"created_at": "2022-09-04T14:37:09.136810Z",
"updated_at": "2022-09-04T14:37:09.136837Z",
"structure_string": "Ca2 Co4 O8\n1.0\n2.908223 0.001289 0.001200\n1.450971 6.864994 -0.024553\n1.449719 2.652693 7.616114\nCa Co O\n2 4 8\ndirect\n0.623055 0.909629 0.854134 Ca\n0.392704 0.059174 0.165162 Ca\n0.429041 0.370722 0.781019 Co\n0.845950 0.788010 0.529897 Co\n0.169807 0.180797 0.489400 Co\n0.586711 0.598087 0.238281 Co\n0.139005 0.424993 0.306783 O\n0.580620 0.228659 0.619924 O\n0.435135 0.740145 0.399379 O\n0.876750 0.543813 0.712514 O\n0.950103 0.189961 0.919624 O\n0.238917 0.887008 0.644985 O\n0.065643 0.778857 0.099679 O\n0.776840 0.081794 0.374315 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.842150213663687,
"density_atomic": 0.09197032577961807,
"volume": 152.22301194786675,
"volume_molar": 6.547917177580111,
"formula_full": "Ca2 Co4 O8",
"formula_reduced": "Ca(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.329555174285714,
"spacegroup": 12
},
{
"id": "jvasp-11028",
"created_at": "2022-09-04T14:37:09.205925Z",
"updated_at": "2022-09-04T14:37:09.205934Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n2.899159 0.001017 0.000382\n1.447083 7.558175 -0.031397\n1.447614 2.632365 7.807724\nCa Mn O\n2 4 8\ndirect\n0.609223 0.934208 0.843779 Ca\n0.392379 0.034100 0.177687 Ca\n0.415040 0.354292 0.812249 Mn\n0.838645 0.774453 0.544728 Mn\n0.162966 0.193872 0.476729 Mn\n0.586582 0.614002 0.209204 Mn\n0.132933 0.446975 0.283563 O\n0.575291 0.226027 0.619912 O\n0.426313 0.742301 0.401537 O\n0.868700 0.521318 0.737875 O\n0.942627 0.174997 0.936377 O\n0.234971 0.865519 0.661008 O\n0.058992 0.793291 0.085083 O\n0.766636 0.102816 0.360438 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.147722752180151,
"density_atomic": 0.0817227439474807,
"volume": 171.31093895962584,
"volume_molar": 7.3689899153045335,
"formula_full": "Ca2 Mn4 O8",
"formula_reduced": "CaMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5772041289655165,
"spacegroup": 12
},
{
"id": "jvasp-34264",
"created_at": "2022-09-04T14:37:09.214811Z",
"updated_at": "2022-09-04T14:37:09.214831Z",
"structure_string": "Zn2 P2 O7\n1.0\n4.482865 0.021696 -0.735628\n-1.077300 5.073976 -1.195933\n0.017080 -0.007463 5.323128\nZn P O\n2 2 7\ndirect\n0.500002 0.691198 0.308801 Zn\n0.500000 0.308803 0.691199 Zn\n0.092231 0.784575 0.784574 P\n0.907771 0.215427 0.215426 P\n0.276708 0.930400 0.624844 O\n0.723294 0.375158 0.069602 O\n0.723294 0.069602 0.375157 O\n0.276708 0.624843 0.930399 O\n0.213600 0.381529 0.381529 O\n-0.000000 0.000000 0.000001 O\n0.786402 0.618472 0.618472 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Zn",
"density": 4.174742046885692,
"density_atomic": 0.09074305201829591,
"volume": 121.2214021386689,
"volume_molar": 6.636475880032993,
"formula_full": "Zn2 P2 O7",
"formula_reduced": "Zn2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.9747069363636365,
"spacegroup": 12
},
{
"id": "jvasp-50896",
"created_at": "2022-09-04T14:37:09.219949Z",
"updated_at": "2022-09-04T14:37:09.219972Z",
"structure_string": "Rb6 Sb2 O6\n1.0\n3.938156 5.459462 0.779258\n-3.938156 5.459462 -0.779258\n-0.236216 0.000000 7.684903\nRb Sb O\n6 2 6\ndirect\n0.316104 0.683896 0.648789 Rb\n0.807628 0.807628 0.500000 Rb\n0.192371 0.192372 0.500000 Rb\n0.208242 0.208242 0.000000 Rb\n0.791757 0.791757 -0.000000 Rb\n0.683896 0.316104 0.351211 Rb\n0.280998 0.719002 0.165210 Sb\n0.719001 0.280998 0.834790 Sb\n0.966479 0.033520 0.760284 O\n0.212710 0.511298 0.301951 O\n0.488702 0.787289 0.301951 O\n0.511297 0.212711 0.698049 O\n0.787289 0.488703 0.698049 O\n0.033520 0.966480 0.239716 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 4.257050496932464,
"density_atomic": 0.042109824363974334,
"volume": 332.4639846272367,
"volume_molar": 14.301035093254969,
"formula_full": "Rb6 Sb2 O6",
"formula_reduced": "Rb3SbO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.749420942857143,
"spacegroup": 12
},
{
"id": "jvasp-10585",
"created_at": "2022-09-04T14:37:09.306736Z",
"updated_at": "2022-09-04T14:37:09.306752Z",
"structure_string": "K2 Cu6 S4\n1.0\n3.912123 0.000000 0.000000\n-1.956061 6.708970 -2.955219\n0.000000 0.022356 8.262283\nK Cu S\n2 6 4\ndirect\n0.866611 0.733223 0.958632 K\n0.133389 0.266777 0.041367 K\n0.309083 0.618167 0.586934 Cu\n0.932238 0.864477 0.587295 Cu\n0.690917 0.381833 0.413066 Cu\n0.403812 0.807623 0.355200 Cu\n0.596188 0.192377 0.644800 Cu\n0.067762 0.135524 0.412704 Cu\n0.477408 0.954818 0.761048 S\n0.194327 0.388655 0.701050 S\n0.805673 0.611346 0.298950 S\n0.522592 0.045183 0.238951 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Cu",
"S"
],
"chemical_system": "Cu-K-S",
"density": 4.495139229349852,
"density_atomic": 0.05527077011068844,
"volume": 217.11295094980775,
"volume_molar": 10.895706261989318,
"formula_full": "K2 Cu6 S4",
"formula_reduced": "KCu3S2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.2626084833333335,
"spacegroup": 12
},
{
"id": "jvasp-78490",
"created_at": "2022-09-04T14:37:09.333580Z",
"updated_at": "2022-09-04T14:37:09.333600Z",
"structure_string": "Sm1 Hg2\n1.0\n0.419978 0.242474 -4.306519\n-1.622688 -4.076566 0.648254\n-2.719064 4.709557 -0.000000\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.337707 0.326079 0.663039 Hg\n0.662294 0.673921 0.336959 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 11.602365073395422,
"density_atomic": 0.03800508157796765,
"volume": 78.93681253769927,
"volume_molar": 15.845619874925262,
"formula_full": "Sm1 Hg2",
"formula_reduced": "SmHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0099999999999999,
"spacegroup": 12
},
{
"id": "jvasp-10162",
"created_at": "2022-09-04T14:37:09.401590Z",
"updated_at": "2022-09-04T14:37:09.401612Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n3.536965 -0.000039 -0.000090\n-1.768449 6.895667 0.036737\n-1.768344 -1.832183 10.016126\nCa Bi O\n2 4 8\ndirect\n0.490266 0.733521 0.239022 Ca\n0.490177 0.233416 0.739087 Ca\n0.702306 0.309912 0.086728 Bi\n0.702153 0.809830 0.586642 Bi\n0.278282 0.157103 0.391473 Bi\n0.278133 0.657022 0.891391 Bi\n0.668136 0.573392 0.755028 O\n0.668281 0.073526 0.255090 O\n0.312161 0.893416 0.723020 O\n0.312309 0.393547 0.223088 O\n0.120605 0.337217 0.896090 O\n0.120663 0.837284 0.396072 O\n0.859853 0.629725 0.082032 O\n0.859790 0.129655 0.582043 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 7.090122165899108,
"density_atomic": 0.05725347809535338,
"volume": 244.52662904921792,
"volume_molar": 10.518384140733538,
"formula_full": "Ca2 Bi4 O8",
"formula_reduced": "Ca(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.522294717142857,
"spacegroup": 12
},
{
"id": "jvasp-43390",
"created_at": "2022-09-04T14:37:09.629655Z",
"updated_at": "2022-09-04T14:37:09.629670Z",
"structure_string": "Li4 Cr5 Sb1 O12\n1.0\n5.171833 -0.004549 0.168669\n-2.600999 4.470198 0.168669\n0.328768 0.571085 10.224104\nLi Cr Sb O\n4 5 1 12\ndirect\n0.112211 0.450604 0.710706 Li\n0.549395 0.887789 0.289294 Li\n0.450604 0.112210 0.710706 Li\n0.887789 0.549395 0.289294 Li\n0.162251 0.837748 0.500000 Cr\n0.335123 0.664877 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.664877 0.335123 0.000000 Cr\n0.837748 0.162251 0.500000 Cr\n0.000000 0.000000 0.000000 Sb\n0.808177 0.461790 0.603110 O\n0.538209 0.191822 0.396890 O\n0.851644 0.851644 0.393881 O\n0.687103 0.687103 0.901030 O\n0.312896 0.312897 0.098970 O\n0.973971 0.634870 0.102151 O\n0.461790 0.808177 0.603110 O\n0.191822 0.538210 0.396890 O\n0.365129 0.026028 0.897849 O\n0.634870 0.973971 0.102151 O\n0.148355 0.148355 0.606119 O\n0.026029 0.365129 0.897849 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Li-O-Sb",
"density": 4.245657444672241,
"density_atomic": 0.09351576951495301,
"volume": 235.25444012394337,
"volume_molar": 6.4397061492789955,
"formula_full": "Li4 Cr5 Sb1 O12",
"formula_reduced": "Li4Cr5SbO12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.2133715954545456,
"spacegroup": 12
},
{
"id": "jvasp-13805",
"created_at": "2022-09-04T14:37:09.652012Z",
"updated_at": "2022-09-04T14:37:09.652033Z",
"structure_string": "Ag1 Te6 Mo6\n1.0\n4.599874 0.000000 0.000000\n-2.299937 7.784460 -4.334506\n0.000000 -0.053161 9.332047\nAg Te Mo\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.116000 0.232000 0.641825 Te\n0.539632 0.079265 0.252326 Te\n0.460366 0.920735 0.747674 Te\n0.818980 0.637963 0.900956 Te\n0.181018 0.362037 0.099044 Te\n0.883999 0.768000 0.358175 Te\n0.715321 0.430644 0.313423 Mo\n0.284677 0.569356 0.686577 Mo\n0.846925 0.693854 0.621025 Mo\n0.153073 0.306146 0.378975 Mo\n0.686375 0.372752 0.567004 Mo\n0.313624 0.627248 0.432996 Mo\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Mo"
],
"chemical_system": "Ag-Mo-Te",
"density": 7.224009692780631,
"density_atomic": 0.039027592423762685,
"volume": 333.0976673847989,
"volume_molar": 15.430469537068616,
"formula_full": "Ag1 Te6 Mo6",
"formula_reduced": "Ag(TeMo)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.873346096923076,
"spacegroup": 12
},
{
"id": "jvasp-80906",
"created_at": "2022-09-04T14:37:09.836656Z",
"updated_at": "2022-09-04T14:37:09.836680Z",
"structure_string": "Ti1 Cd1 Au2\n1.0\n-10.778183 2.330538 -2.416212\n-7.819351 1.437262 0.982308\n-6.909982 4.008491 -0.592334\nTi Cd Au\n1 1 2\ndirect\n-0.000000 0.000000 -0.000000 Ti\n0.499999 0.000000 0.000001 Cd\n0.702083 0.038302 0.038269 Au\n0.297916 -0.038302 -0.038268 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Ti",
"density": 11.992428537527692,
"density_atomic": 0.05212460579035886,
"volume": 76.73918947392507,
"volume_molar": 11.553355020507176,
"formula_full": "Ti1 Cd1 Au2",
"formula_reduced": "TiCdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6490958058333334,
"spacegroup": 12
},
{
"id": "jvasp-100857",
"created_at": "2022-09-04T14:37:09.840048Z",
"updated_at": "2022-09-04T14:37:09.840071Z",
"structure_string": "Sb4 S3 N2\n1.0\n5.461811 0.333301 4.646100\n1.051598 3.572512 -0.000000\n-0.909784 0.267802 9.124413\nSb S N\n4 3 2\ndirect\n0.241178 0.879410 0.594335 Sb\n0.758823 0.120588 0.405664 Sb\n0.625204 0.687397 0.121867 Sb\n0.374797 0.312601 0.878132 Sb\n0.000000 0.000000 0.000000 S\n0.706569 0.646715 0.705792 S\n0.293432 0.353283 0.294207 S\n0.615692 0.692153 0.359129 N\n0.384309 0.307845 0.640870 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sb",
"S",
"N"
],
"chemical_system": "N-S-Sb",
"density": 5.307193008220819,
"density_atomic": 0.04705876859936922,
"volume": 191.2502232393866,
"volume_molar": 12.797064052544547,
"formula_full": "Sb4 S3 N2",
"formula_reduced": "Sb4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.940918988888889,
"spacegroup": 12
}
]
}