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=4091",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4089",
"results": [
{
"id": "jvasp-44070",
"created_at": "2022-09-04T14:35:55.482989Z",
"updated_at": "2022-09-04T14:35:55.483016Z",
"structure_string": "Li6 Fe2 O4 F4\n1.0\n0.000000 5.019422 -0.022441\n5.901292 0.000000 0.000000\n0.000000 -1.593802 -4.789475\nLi Fe O F\n6 2 4 4\ndirect\n0.500000 0.123997 0.749999 Li\n0.500000 0.634651 0.749999 Li\n0.000000 0.379613 0.749999 Li\n0.500000 0.365349 0.250000 Li\n0.500000 0.876002 0.250000 Li\n0.000000 0.620386 0.250000 Li\n0.000000 0.906509 0.749999 Fe\n0.000000 0.093490 0.250000 Fe\n0.763248 0.874794 0.992159 O\n0.236752 0.874794 0.507839 O\n0.763248 0.125205 0.492160 O\n0.236752 0.125205 0.007840 O\n0.251239 0.619073 0.998439 F\n0.251239 0.380926 0.498440 F\n0.748760 0.619073 0.501559 F\n0.748760 0.380926 0.001560 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.4282073309861394,
"density_atomic": 0.11261224302634883,
"volume": 142.08046629757962,
"volume_molar": 5.347678545565377,
"formula_full": "Li6 Fe2 O4 F4",
"formula_reduced": "Li3Fe(OF)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.167766633125,
"spacegroup": 13
},
{
"id": "jvasp-44293",
"created_at": "2022-09-04T14:35:56.696726Z",
"updated_at": "2022-09-04T14:35:56.696751Z",
"structure_string": "Tb2 Nb2 O8\n1.0\n5.160119 0.257375 -0.002855\n0.277811 5.368371 -0.002470\n0.002759 0.002376 5.476723\nTb Nb O\n2 2 8\ndirect\n0.999998 0.741927 0.741308 Tb\n1.000001 0.241921 0.258638 Tb\n0.499993 0.741931 0.203739 Nb\n0.500002 0.241918 0.796206 Nb\n0.737238 0.972661 0.058136 O\n0.251901 0.897030 0.423880 O\n0.748119 0.586826 0.423864 O\n0.262756 0.511187 0.058141 O\n0.251890 0.397030 0.576074 O\n0.737236 0.472664 0.941802 O\n0.748111 0.086828 0.576074 O\n0.262757 0.011189 0.941812 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Nb",
"O"
],
"chemical_system": "Nb-O-Tb",
"density": 6.931556519393482,
"density_atomic": 0.07930132846137242,
"volume": 151.32155075870116,
"volume_molar": 7.59399732241986,
"formula_full": "Tb2 Nb2 O8",
"formula_reduced": "TbNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5063636333333337,
"spacegroup": 13
},
{
"id": "jvasp-96071",
"created_at": "2022-09-04T14:35:58.529860Z",
"updated_at": "2022-09-04T14:35:58.529884Z",
"structure_string": "Eu2 Al4 Cl16\n1.0\n6.800734 0.000000 0.000000\n0.000000 6.444818 -0.346929\n0.000000 0.285827 12.999106\nEu Al Cl\n2 4 16\ndirect\n0.175887 0.500000 0.250000 Eu\n0.824112 0.500001 0.750000 Eu\n0.258048 0.665561 0.912429 Al\n0.258048 0.334440 0.587571 Al\n0.741952 0.334440 0.087571 Al\n0.741952 0.665561 0.412429 Al\n0.845572 0.645287 0.128530 Cl\n0.154427 0.354714 0.871470 Cl\n0.154427 0.645287 0.628530 Cl\n0.491510 0.233518 0.178309 Cl\n0.491510 0.766483 0.321692 Cl\n0.508489 0.766483 0.821692 Cl\n0.508489 0.233518 0.678309 Cl\n0.001459 0.840974 0.371338 Cl\n0.998540 0.840975 0.871339 Cl\n0.660984 0.289085 0.926976 Cl\n0.660984 0.710916 0.573024 Cl\n0.339015 0.710916 0.073024 Cl\n0.339015 0.289085 0.426976 Cl\n0.845572 0.354714 0.371470 Cl\n0.001459 0.159026 0.128662 Cl\n0.998540 0.159026 0.628662 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Eu",
"density": 2.850253109249881,
"density_atomic": 0.03856816755995973,
"volume": 570.4185962633006,
"volume_molar": 15.614277630996392,
"formula_full": "Eu2 Al4 Cl16",
"formula_reduced": "Eu(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.4725125581818182,
"spacegroup": 13
},
{
"id": "jvasp-88635",
"created_at": "2022-09-04T14:35:59.078907Z",
"updated_at": "2022-09-04T14:35:59.078932Z",
"structure_string": "Ca4 Al8 Si4 O24\n1.0\n9.321242 0.000000 -2.670246\n0.000000 8.711026 0.000000\n0.006271 0.000000 5.312089\nCa Al Si O\n4 8 4 24\ndirect\n-0.000000 0.315061 0.250000 Ca\n0.500000 0.807654 0.250000 Ca\n-0.000000 0.692347 0.750000 Ca\n0.500000 0.184939 0.750000 Ca\n0.784170 0.597695 0.211624 Al\n0.215829 0.597695 0.288375 Al\n0.715829 0.902305 0.788375 Al\n0.284170 0.902305 0.711624 Al\n-0.000000 0.906543 0.250000 Al\n0.500000 0.411254 0.250000 Al\n-0.000000 0.088746 0.750000 Al\n0.500000 0.593458 0.750000 Al\n0.792347 0.402244 0.717040 Si\n0.207652 0.402244 0.782959 Si\n0.707652 0.097756 0.282959 Si\n0.292348 0.097756 0.217040 Si\n0.613929 0.407648 0.628324 O\n0.356525 0.984101 0.471208 O\n0.366587 0.728103 0.816324 O\n0.096411 0.927187 0.614036 O\n0.145075 0.472617 0.015858 O\n0.132252 0.236766 0.685144 O\n0.386071 0.407648 0.871675 O\n0.643475 0.984101 0.028791 O\n0.633412 0.728103 0.683675 O\n0.903588 0.927187 0.885963 O\n0.143475 0.515900 0.528791 O\n0.596411 0.572814 0.114035 O\n0.403589 0.572814 0.385964 O\n0.645075 0.027384 0.515858 O\n0.632252 0.263234 0.185143 O\n0.886071 0.092352 0.371675 O\n0.856525 0.515900 0.971208 O\n0.866587 0.771897 0.316324 O\n0.867747 0.236766 0.814856 O\n0.354925 0.027384 0.984141 O\n0.367747 0.263234 0.314856 O\n0.113929 0.092352 0.128325 O\n0.133413 0.771897 0.183675 O\n0.854925 0.472617 0.484141 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.3578030892837765,
"density_atomic": 0.09270533125208852,
"volume": 431.47464616927147,
"volume_molar": 6.496002634006369,
"formula_full": "Ca4 Al8 Si4 O24",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1331025620000004,
"spacegroup": 13
},
{
"id": "jvasp-48825",
"created_at": "2022-09-04T14:36:00.830248Z",
"updated_at": "2022-09-04T14:36:00.830275Z",
"structure_string": "Li6 Ni2 O4 F4\n1.0\n0.000000 4.933405 0.004296\n5.821709 0.000000 0.000000\n0.000000 -1.500879 -4.720289\nLi Ni O F\n6 2 4 4\ndirect\n0.250000 0.117486 0.500000 Li\n0.250000 0.634193 0.500000 Li\n0.250000 0.366627 -0.000000 Li\n0.750000 0.365807 0.499999 Li\n0.750000 0.882514 0.499999 Li\n0.750000 0.633373 -0.000001 Li\n0.250000 0.889540 -0.000000 Ni\n0.750000 0.110460 -0.000001 Ni\n0.013972 0.886636 0.229787 O\n0.486028 0.886636 0.770213 O\n0.513972 0.113364 0.229787 O\n0.986029 0.113364 0.770212 O\n-0.000946 0.618802 0.746783 F\n0.499054 0.381198 0.746782 F\n0.500947 0.618802 0.253217 F\n0.000946 0.381198 0.253217 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.663612866591313,
"density_atomic": 0.11805228442381153,
"volume": 135.5331671732796,
"volume_molar": 5.101248814788132,
"formula_full": "Li6 Ni2 O4 F4",
"formula_reduced": "Li3Ni(OF)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.8378849956250001,
"spacegroup": 13
},
{
"id": "jvasp-96072",
"created_at": "2022-09-04T14:36:01.445126Z",
"updated_at": "2022-09-04T14:36:01.445151Z",
"structure_string": "Ba2 Al4 Cl16\n1.0\n7.199588 0.000000 0.000000\n0.000000 7.225849 -1.566906\n0.000000 -0.042752 12.543314\nBa Al Cl\n2 4 16\ndirect\n0.136396 0.500000 0.250000 Ba\n0.863604 0.500000 0.750000 Ba\n0.283094 0.710924 0.946239 Al\n0.283094 0.289077 0.553760 Al\n0.716906 0.289077 0.053761 Al\n0.716906 0.710924 0.446239 Al\n0.794209 0.579155 0.101766 Cl\n0.205791 0.420846 0.898233 Cl\n0.205791 0.579155 0.601766 Cl\n0.442860 0.242613 0.111897 Cl\n0.442860 0.757388 0.388102 Cl\n0.557140 0.757388 0.888102 Cl\n0.557140 0.242613 0.611897 Cl\n0.919050 0.862682 0.373080 Cl\n0.080950 0.862682 0.873080 Cl\n0.714305 0.206958 0.877784 Cl\n0.714305 0.793042 0.622215 Cl\n0.285695 0.793042 0.122215 Cl\n0.285695 0.206958 0.377784 Cl\n0.794209 0.420846 0.398233 Cl\n0.919050 0.137318 0.126919 Cl\n0.080950 0.137318 0.626919 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Cl"
],
"chemical_system": "Al-Ba-Cl",
"density": 2.4188359666470327,
"density_atomic": 0.0337392141188067,
"volume": 652.060238348495,
"volume_molar": 17.84908426969903,
"formula_full": "Ba2 Al4 Cl16",
"formula_reduced": "Ba(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2575485554545454,
"spacegroup": 13
},
{
"id": "jvasp-48434",
"created_at": "2022-09-04T14:36:01.610427Z",
"updated_at": "2022-09-04T14:36:01.610448Z",
"structure_string": "V4 O4 F8\n1.0\n0.000000 5.189698 0.050483\n4.895377 0.000000 0.000000\n0.000000 -0.420633 -7.390078\nV O F\n4 4 8\ndirect\n0.500001 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.294281 0.204717 0.543856 O\n0.705720 0.204717 0.956145 O\n0.294281 0.795283 0.043856 O\n0.705720 0.795283 0.456145 O\n0.000000 0.128042 0.250000 F\n0.191767 0.307335 0.925279 F\n0.808234 0.307335 0.574722 F\n0.500000 0.375481 0.250000 F\n0.500001 0.624520 0.750000 F\n0.191767 0.692666 0.425279 F\n0.808234 0.692666 0.074722 F\n0.000000 0.871958 0.750000 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.7145305204626546,
"density_atomic": 0.08526744647535983,
"volume": 187.64488279385264,
"volume_molar": 7.062649356739267,
"formula_full": "V4 O4 F8",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.92988706625,
"spacegroup": 13
},
{
"id": "jvasp-86921",
"created_at": "2022-09-04T14:36:01.652282Z",
"updated_at": "2022-09-04T14:36:01.652293Z",
"structure_string": "Eu2 Ta2 O8\n1.0\n5.198435 -0.002400 0.000000\n-0.624982 5.359058 0.000000\n0.000000 0.000000 5.530014\nEu Ta O\n2 2 8\ndirect\n0.000000 0.750000 0.764216 Eu\n0.000000 0.250000 0.235783 Eu\n0.500000 0.250000 0.692661 Ta\n0.500000 0.750000 0.307338 Ta\n0.730119 0.009810 0.561373 O\n0.269880 0.490190 0.561373 O\n0.269880 0.990191 0.438626 O\n0.730119 0.509810 0.438626 O\n0.253101 0.603503 0.084859 O\n0.746898 0.896497 0.084859 O\n0.746898 0.396497 0.915140 O\n0.253101 0.103503 0.915140 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"Ta",
"O"
],
"chemical_system": "Eu-O-Ta",
"density": 8.556706637041778,
"density_atomic": 0.07789638860946237,
"volume": 154.05078738839396,
"volume_molar": 7.730962715347844,
"formula_full": "Eu2 Ta2 O8",
"formula_reduced": "EuTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7215322,
"spacegroup": 13
},
{
"id": "jvasp-5833",
"created_at": "2022-09-04T14:36:02.002449Z",
"updated_at": "2022-09-04T14:36:02.002472Z",
"structure_string": "As16 S18\n1.0\n0.000000 9.177984 0.095146\n9.707466 0.000000 0.000000\n0.000000 -2.076701 -9.716529\nAs S\n16 18\ndirect\n0.177542 0.024178 0.372378 As\n0.448320 0.774751 0.021406 As\n0.051680 0.774751 0.978594 As\n0.551679 0.225249 0.978593 As\n0.948320 0.225249 0.021406 As\n0.141472 0.579549 0.828983 As\n0.641472 0.420451 0.828982 As\n0.858528 0.420451 0.171017 As\n0.358528 0.579549 0.171017 As\n0.561413 0.676827 0.562839 As\n0.061413 0.323173 0.562840 As\n0.438587 0.323173 0.437160 As\n0.677541 0.975823 0.372378 As\n0.822458 0.975823 0.627621 As\n0.322458 0.024178 0.627622 As\n0.938586 0.676827 0.437160 As\n0.822445 0.832253 0.275961 S\n0.250000 0.431378 -0.000000 S\n0.750000 0.568622 -0.000000 S\n0.136600 0.675032 0.187956 S\n0.363400 0.675032 0.812044 S\n0.863400 0.324969 0.812044 S\n0.636599 0.324969 0.187956 S\n0.677555 0.832253 0.724038 S\n0.981765 0.166307 0.389234 S\n0.322445 0.167748 0.275961 S\n0.750000 0.554312 0.500000 S\n0.250000 0.445689 0.500000 S\n0.481765 0.833693 0.389235 S\n0.018235 0.833693 0.610765 S\n0.518235 0.166307 0.610765 S\n0.250000 0.920920 -0.000000 S\n0.177555 0.167748 0.724038 S\n0.750000 0.079081 -0.000000 S\n",
"nsites": 34,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 3.4140542440134722,
"density_atomic": 0.03936206865417512,
"volume": 863.7757405159557,
"volume_molar": 15.299350277824471,
"formula_full": "As16 S18",
"formula_reduced": "As8S9",
"formula_anonymous": "A8B9",
"energy_above_hull": 2.6139672941176477,
"spacegroup": 13
},
{
"id": "jvasp-91343",
"created_at": "2022-09-04T14:36:04.220197Z",
"updated_at": "2022-09-04T14:36:04.220217Z",
"structure_string": "Nb4 Te4 Br12\n1.0\n6.612030 0.000000 -0.893542\n0.000000 7.180704 0.000000\n0.005221 0.000000 12.697362\nNb Te Br\n4 4 12\ndirect\n0.930770 0.352124 0.852860 Nb\n0.069230 0.352124 0.647140 Nb\n0.069230 0.647876 0.147140 Nb\n0.930770 0.647876 0.352860 Nb\n0.189608 0.064034 0.805370 Te\n0.810392 0.935966 0.194630 Te\n0.189608 0.935966 0.305370 Te\n0.810392 0.064034 0.694630 Te\n0.744534 0.452129 0.196264 Br\n0.255466 0.452129 0.303736 Br\n0.153096 0.319506 0.045624 Br\n0.638260 0.787758 0.438538 Br\n0.361740 0.787758 0.061462 Br\n0.361740 0.212241 0.561462 Br\n0.638260 0.212241 0.938538 Br\n0.153096 0.680494 0.545624 Br\n0.846904 0.680494 0.954376 Br\n0.846904 0.319506 0.454376 Br\n0.744534 0.547872 0.696263 Br\n0.255466 0.547872 0.803736 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Br"
],
"chemical_system": "Br-Nb-Te",
"density": 5.070299043781823,
"density_atomic": 0.03317344099501139,
"volume": 602.8919340326376,
"volume_molar": 18.153500449065888,
"formula_full": "Nb4 Te4 Br12",
"formula_reduced": "NbTeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1540958963333332,
"spacegroup": 13
},
{
"id": "jvasp-88488",
"created_at": "2022-09-04T14:36:04.791377Z",
"updated_at": "2022-09-04T14:36:04.791394Z",
"structure_string": "K2 V4 Cr2 O14\n1.0\n4.849462 0.000000 0.000000\n0.000000 6.765468 -1.375368\n0.000000 -0.016035 8.118572\nK V Cr O\n2 4 2 14\ndirect\n0.603843 0.750000 0.500000 K\n0.396156 0.250000 0.500000 K\n0.998314 0.877460 0.176700 V\n0.001685 0.122539 0.823299 V\n0.001685 0.377460 0.176701 V\n0.998314 0.622539 0.823299 V\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.326916 0.016249 0.788358 O\n0.673083 0.516249 0.788358 O\n0.290503 0.750000 -0.000000 O\n0.709496 0.250000 -0.000000 O\n0.838908 0.613988 0.115740 O\n0.161091 0.113988 0.115740 O\n0.838908 0.886012 0.884259 O\n0.132561 0.881412 0.361691 O\n0.867438 0.381411 0.361691 O\n0.132561 0.618588 0.638309 O\n0.867438 0.118588 0.638309 O\n0.673083 0.983750 0.211642 O\n0.326916 0.483750 0.211642 O\n0.161091 0.386012 0.884259 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-K-O-V",
"density": 3.804031746429514,
"density_atomic": 0.08262777222544868,
"volume": 266.254304182053,
"volume_molar": 7.288276807909907,
"formula_full": "K2 V4 Cr2 O14",
"formula_reduced": "KV2CrO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.019404390909091,
"spacegroup": 13
},
{
"id": "jvasp-88375",
"created_at": "2022-09-04T14:36:08.585848Z",
"updated_at": "2022-09-04T14:36:08.585874Z",
"structure_string": "Ba4 Ca4 Ga4 F28\n1.0\n5.429077 0.000000 -0.219581\n0.000000 5.448870 0.000000\n0.008153 0.000000 19.219531\nBa Ca Ga F\n4 4 4 28\ndirect\n0.247674 0.237779 0.568299 Ba\n0.252325 0.237779 0.931701 Ba\n0.752326 0.762221 0.431701 Ba\n0.747675 0.762221 0.068299 Ba\n0.250000 0.676025 0.750000 Ca\n0.750000 0.323975 0.250000 Ca\n0.250000 0.793467 0.250000 Ca\n0.750000 0.206533 0.750000 Ca\n0.701274 0.773472 0.880749 Ga\n0.798726 0.773472 0.619251 Ga\n0.201274 0.226528 0.380749 Ga\n0.298726 0.226528 0.119251 Ga\n0.076822 0.496222 0.325180 F\n0.575104 0.629728 0.308923 F\n0.075103 0.370272 0.808923 F\n0.424896 0.370272 0.691077 F\n0.576822 0.503778 0.825180 F\n0.923178 0.503778 0.674820 F\n0.423178 0.496222 0.174820 F\n0.924897 0.629728 0.191077 F\n0.775536 0.060634 0.936204 F\n0.942517 0.870140 0.816015 F\n0.724464 0.060634 0.563796 F\n0.224464 0.939366 0.063796 F\n0.275536 0.939366 0.436204 F\n0.526664 0.024465 0.177749 F\n0.973337 0.024465 0.322252 F\n0.473336 0.975535 0.822251 F\n0.026663 0.975535 0.677748 F\n0.442517 0.129860 0.316015 F\n0.564660 0.282452 0.057493 F\n0.435340 0.717548 0.942507 F\n0.064659 0.717548 0.557493 F\n0.589154 0.591405 0.560259 F\n0.910846 0.591405 0.939741 F\n0.410846 0.408595 0.439741 F\n0.089154 0.408595 0.060259 F\n0.557483 0.870140 0.683985 F\n0.935341 0.282452 0.442507 F\n0.057483 0.129860 0.183985 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ga",
"F"
],
"chemical_system": "Ba-Ca-F-Ga",
"density": 4.440618810092762,
"density_atomic": 0.07035213905103875,
"volume": 568.5683554124912,
"volume_molar": 8.559996669939325,
"formula_full": "Ba4 Ca4 Ga4 F28",
"formula_reduced": "BaCaGaF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.0,
"spacegroup": 13
}
]
}