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_molar&page=1584",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1582",
"results": [
{
"id": "jvasp-57257",
"created_at": "2022-09-04T14:38:33.066305Z",
"updated_at": "2022-09-04T14:38:33.066331Z",
"structure_string": "Ba6 Ni5 O15\n1.0\n7.189962 -0.000645 0.259260\n0.250056 7.185612 0.259260\n-0.000668 -0.000645 7.194635\nBa Ni O\n6 5 15\ndirect\n0.334554 0.665446 0.000000 Ba\n-0.000000 0.334554 0.665447 Ba\n0.665446 0.000001 0.334554 Ba\n0.148158 0.851842 0.500000 Ba\n0.500000 0.148159 0.851843 Ba\n0.851842 0.500000 0.148158 Ba\n0.500000 0.500000 0.500000 Ni\n0.710525 0.710525 0.710525 Ni\n0.289475 0.289475 0.289475 Ni\n0.905057 0.905058 0.905058 Ni\n0.094942 0.094943 0.094943 Ni\n0.766158 0.628484 0.472486 O\n0.233842 0.527515 0.371517 O\n0.527514 0.371517 0.233842 O\n0.371517 0.233842 0.527515 O\n0.000000 0.854021 0.145979 O\n0.854021 0.145980 0.000000 O\n0.331675 0.036564 0.193376 O\n0.963436 0.668326 0.806625 O\n0.668325 0.806625 0.963437 O\n0.806625 0.963437 0.668325 O\n0.193375 0.331675 0.036564 O\n0.472486 0.766159 0.628484 O\n0.036564 0.193376 0.331676 O\n0.145979 0.000001 0.854021 O\n0.628483 0.472486 0.766159 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 6.064011988444877,
"density_atomic": 0.06994715550171833,
"volume": 371.70918264662356,
"volume_molar": 8.60955776800968,
"formula_full": "Ba6 Ni5 O15",
"formula_reduced": "Ba6(NiO3)5",
"formula_anonymous": "A5B6C15",
"energy_above_hull": 1.8879496276923076,
"spacegroup": 155
},
{
"id": "jvasp-3207",
"created_at": "2022-09-04T14:36:09.576084Z",
"updated_at": "2022-09-04T14:36:09.576123Z",
"structure_string": "Cu2 B2 S4\n1.0\n4.515245 0.000000 -2.217426\n-1.088973 4.381960 -2.217426\n0.022447 0.028709 5.751515\nCu B S\n2 2 4\ndirect\n0.250001 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000001 B\n0.750000 0.250000 0.500000 B\n0.819030 0.875000 0.249999 S\n0.625000 0.180970 0.750000 S\n0.430969 0.375000 0.250000 S\n0.125001 0.569031 0.750001 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"B",
"S"
],
"chemical_system": "B-Cu-S",
"density": 4.021311279353927,
"density_atomic": 0.06994707827424634,
"volume": 114.3721824753544,
"volume_molar": 8.609567273687368,
"formula_full": "Cu2 B2 S4",
"formula_reduced": "CuBS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8533607583333331,
"spacegroup": 122
},
{
"id": "jvasp-120924",
"created_at": "2022-09-04T14:38:53.366210Z",
"updated_at": "2022-09-04T14:38:53.366229Z",
"structure_string": "Cd1 C1 N1\n1.0\n3.907731 0.000000 -0.000000\n-1.953865 3.384194 0.000000\n-0.000000 -0.000000 3.243200\nCd C N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"C",
"N"
],
"chemical_system": "C-Cd-N",
"density": 5.3594553115646315,
"density_atomic": 0.06994676156263936,
"volume": 42.88976262772956,
"volume_molar": 8.609606256905831,
"formula_full": "Cd1 C1 N1",
"formula_reduced": "CdCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.645877666666666,
"spacegroup": 187
},
{
"id": "jvasp-12237",
"created_at": "2022-09-04T14:38:09.966544Z",
"updated_at": "2022-09-04T14:38:09.966571Z",
"structure_string": "Sr3 V2 O8\n1.0\n5.231520 0.006570 5.366772\n2.187252 4.752344 5.366772\n0.010243 0.006570 7.494727\nSr V O\n3 2 8\ndirect\n0.798099 0.798099 0.798101 Sr\n0.201900 0.201900 0.201901 Sr\n0.000000 0.000000 0.000000 Sr\n0.593880 0.593880 0.593881 V\n0.406119 0.406119 0.406120 V\n0.731864 0.230991 0.731865 O\n0.230991 0.731864 0.731865 O\n0.731864 0.731864 0.230992 O\n0.268135 0.769008 0.268136 O\n0.769008 0.268135 0.268136 O\n0.321457 0.321456 0.321457 O\n0.678543 0.678543 0.678544 O\n0.268135 0.268135 0.769009 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sr",
"V",
"O"
],
"chemical_system": "O-Sr-V",
"density": 4.402348568552983,
"density_atomic": 0.06994592989267755,
"volume": 185.85784791118968,
"volume_molar": 8.609708626706587,
"formula_full": "Sr3 V2 O8",
"formula_reduced": "Sr3V2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.248311948461539,
"spacegroup": 166
},
{
"id": "jvasp-36764",
"created_at": "2022-09-04T14:37:55.386744Z",
"updated_at": "2022-09-04T14:37:55.386777Z",
"structure_string": "Cu1 Hg1 O2\n1.0\n0.000000 -3.002100 0.000000\n2.979042 -1.501050 -1.770571\n2.963166 -1.501050 4.633769\nCu Hg O\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Hg\n0.934640 0.912436 0.718284 O\n0.065360 0.087564 0.281716 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Hg",
"O"
],
"chemical_system": "Cu-Hg-O",
"density": 8.598104491049083,
"density_atomic": 0.06993976463715774,
"volume": 57.192071216591884,
"volume_molar": 8.61046758055652,
"formula_full": "Cu1 Hg1 O2",
"formula_reduced": "CuHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5689230125,
"spacegroup": 12
},
{
"id": "jvasp-68031",
"created_at": "2022-09-04T14:35:47.188133Z",
"updated_at": "2022-09-04T14:35:47.188159Z",
"structure_string": "Be1 Co1 Ge2\n1.0\n2.790721 0.000000 0.000000\n0.000000 2.790721 -0.000000\n0.000000 -0.000000 7.343610\nBe Co Ge\n1 1 2\ndirect\n0.000000 0.000000 0.560344 Be\n0.500000 0.500000 0.696279 Co\n0.000000 0.000000 0.917740 Ge\n0.500000 0.500000 0.325636 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Ge"
],
"chemical_system": "Be-Co-Ge",
"density": 6.190782453401071,
"density_atomic": 0.0699386984538959,
"volume": 57.192943083389366,
"volume_molar": 8.61059884317098,
"formula_full": "Be1 Co1 Ge2",
"formula_reduced": "BeCoGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7037497249999998,
"spacegroup": 99
},
{
"id": "jvasp-37055",
"created_at": "2022-09-04T14:37:59.798800Z",
"updated_at": "2022-09-04T14:37:59.798824Z",
"structure_string": "Ti2 Al1 Fe1\n1.0\n3.058014 3.058014 -0.000000\n3.058014 0.000000 -3.058014\n-0.000000 3.058014 -3.058014\nTi Al Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Al\n0.499999 0.499999 0.499999 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Ti",
"density": 5.184252920793723,
"density_atomic": 0.06993773894284164,
"volume": 57.193727742172214,
"volume_molar": 8.610716976311952,
"formula_full": "Ti2 Al1 Fe1",
"formula_reduced": "Ti2AlFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1277012416666663,
"spacegroup": 216
},
{
"id": "jvasp-110110",
"created_at": "2022-09-04T14:38:16.615525Z",
"updated_at": "2022-09-04T14:38:16.615548Z",
"structure_string": "La1 Co3 Ni2\n1.0\n4.958123 -0.000000 0.000000\n-2.479061 4.293861 0.000000\n0.000000 0.000000 4.029801\nLa Co Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.333333 0.666667 -0.000000 Ni\n0.666666 0.333333 -0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Co",
"Ni"
],
"chemical_system": "Co-La-Ni",
"density": 8.382628806549551,
"density_atomic": 0.06993625492585284,
"volume": 85.79241205239347,
"volume_molar": 8.610899691990568,
"formula_full": "La1 Co3 Ni2",
"formula_reduced": "LaCo3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.5262470833333337,
"spacegroup": 191
},
{
"id": "jvasp-17899",
"created_at": "2022-09-04T14:36:51.166476Z",
"updated_at": "2022-09-04T14:36:51.166501Z",
"structure_string": "Ca1 V1 F6\n1.0\n4.736614 0.117085 3.193899\n1.759400 4.399287 3.193899\n0.168407 0.117085 5.710353\nCa V F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 V\n0.362271 0.080589 0.781312 F\n0.080588 0.781314 0.362270 F\n0.218687 0.637731 0.919411 F\n0.919411 0.218689 0.637729 F\n0.637728 0.919414 0.218687 F\n0.781311 0.362272 0.080588 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"V",
"F"
],
"chemical_system": "Ca-F-V",
"density": 2.975817753318462,
"density_atomic": 0.0699314197584788,
"volume": 114.39779183133263,
"volume_molar": 8.61149506301829,
"formula_full": "Ca1 V1 F6",
"formula_reduced": "CaVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.016595789375,
"spacegroup": 148
},
{
"id": "jvasp-29516",
"created_at": "2022-09-04T14:36:50.786235Z",
"updated_at": "2022-09-04T14:36:50.786259Z",
"structure_string": "Cd2 Te2 Mo2 O12\n1.0\n5.316959 0.000000 0.000000\n0.000000 5.316959 -0.000000\n0.000000 0.000000 9.105014\nCd Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.762831 Te\n0.000000 0.500000 0.237169 Te\n0.500000 0.000000 0.183130 Mo\n0.000000 0.500000 0.816870 Mo\n0.818296 0.681704 0.932690 O\n0.306112 0.193889 0.625967 O\n0.283116 0.216884 0.284193 O\n0.693889 0.806112 0.625967 O\n0.216884 0.716884 0.715806 O\n0.193889 0.693889 0.374032 O\n0.806112 0.306112 0.374032 O\n0.181704 0.318296 0.932690 O\n0.318296 0.818296 0.067310 O\n0.681704 0.181704 0.067310 O\n0.783116 0.283116 0.715806 O\n0.716884 0.783116 0.284193 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cd",
"Te",
"Mo",
"O"
],
"chemical_system": "Cd-Mo-O-Te",
"density": 5.573175466229252,
"density_atomic": 0.06993027955364166,
"volume": 257.3992284156776,
"volume_molar": 8.61163547241446,
"formula_full": "Cd2 Te2 Mo2 O12",
"formula_reduced": "CdTeMoO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.3751204907407404,
"spacegroup": 113
},
{
"id": "jvasp-36373",
"created_at": "2022-09-04T14:37:18.552688Z",
"updated_at": "2022-09-04T14:37:18.552719Z",
"structure_string": "Ca1 C2\n1.0\n2.398884 1.384997 2.152067\n-2.398884 1.384997 2.152067\n0.000000 -2.769993 2.152067\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.597624 0.597624 0.597622 C\n0.402379 0.402379 0.402377 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.481064458183001,
"density_atomic": 0.06992882651151758,
"volume": 42.90076281354281,
"volume_molar": 8.611814412484282,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.439830139999999,
"spacegroup": 166
},
{
"id": "jvasp-12079",
"created_at": "2022-09-04T14:37:28.923974Z",
"updated_at": "2022-09-04T14:37:28.923994Z",
"structure_string": "Te8 O18\n1.0\n7.176592 -0.033676 1.191778\n1.004716 7.105994 1.191778\n-0.038956 -0.033676 7.274770\nTe O\n8 18\ndirect\n0.817837 0.817835 0.817837 Te\n0.182163 0.182163 0.182163 Te\n0.156081 0.701609 0.396155 Te\n0.396154 0.156080 0.701610 Te\n0.701610 0.396154 0.156081 Te\n0.843919 0.298390 0.603846 Te\n0.603846 0.843919 0.298391 Te\n0.298390 0.603844 0.843920 Te\n0.289907 0.776440 0.575308 O\n0.223559 0.424692 0.710094 O\n0.424693 0.710093 0.223560 O\n0.710093 0.223559 0.424693 O\n0.912739 0.717465 0.584581 O\n0.717466 0.584579 0.912739 O\n0.584581 0.912737 0.717467 O\n0.087262 0.282533 0.415420 O\n0.279991 0.064343 0.952235 O\n0.415419 0.087261 0.282534 O\n0.952235 0.279991 0.064344 O\n0.575307 0.289906 0.776441 O\n0.064344 0.952234 0.279992 O\n0.047765 0.720007 0.935657 O\n0.720009 0.935656 0.047766 O\n0.935656 0.047764 0.720009 O\n0.282534 0.415419 0.087262 O\n0.776441 0.575306 0.289907 O\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 5.845092206344235,
"density_atomic": 0.06992716389183651,
"volume": 371.8154512918164,
"volume_molar": 8.612019170854778,
"formula_full": "Te8 O18",
"formula_reduced": "Te4O9",
"formula_anonymous": "A4B9",
"energy_above_hull": 2.313745582051282,
"spacegroup": 148
}
]
}