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=1134",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1132",
"results": [
{
"id": "jvasp-91493",
"created_at": "2022-09-04T14:36:14.708274Z",
"updated_at": "2022-09-04T14:36:14.708303Z",
"structure_string": "Cu8 Se4 O16\n1.0\n5.978929 0.000000 0.000000\n0.000000 7.083881 -0.273800\n0.000000 -0.010302 8.453628\nCu Se O\n8 4 16\ndirect\n0.698759 0.252615 0.757610 Cu\n0.198759 0.247385 0.742390 Cu\n0.301241 0.747385 0.242390 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.801241 0.752615 0.257610 Cu\n0.576309 0.733467 0.898204 Se\n0.423691 0.266534 0.101797 Se\n0.076309 0.766534 0.601797 Se\n0.923692 0.233466 0.398204 Se\n0.210495 0.418344 0.163270 O\n0.433229 0.316970 0.898196 O\n0.710495 0.081656 0.336730 O\n0.214939 0.552673 0.600879 O\n0.040445 0.752917 0.095167 O\n0.066771 0.816970 0.398196 O\n0.785061 0.447327 0.399121 O\n0.285061 0.052673 0.100879 O\n0.289505 0.918344 0.663270 O\n0.789505 0.581656 0.836730 O\n0.540445 0.747083 0.404833 O\n0.933229 0.183030 0.601804 O\n0.566771 0.683030 0.101804 O\n0.714939 0.947327 0.899121 O\n0.959555 0.247083 0.904833 O\n0.459555 0.252917 0.595167 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se",
"density": 5.009971989347532,
"density_atomic": 0.07820611315015501,
"volume": 358.0282777414121,
"volume_molar": 7.700345302211281,
"formula_full": "Cu8 Se4 O16",
"formula_reduced": "Cu2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.555436895238095,
"spacegroup": 14
},
{
"id": "jvasp-68317",
"created_at": "2022-09-04T14:36:10.929912Z",
"updated_at": "2022-09-04T14:36:10.929932Z",
"structure_string": "Be2 Cd1 Ru1\n1.0\n2.990427 0.000000 0.000000\n-0.000000 2.990427 0.000000\n-0.000000 0.000000 5.719820\nBe Cd Ru\n2 1 1\ndirect\n0.000000 0.000000 0.682808 Be\n0.000000 0.000000 0.317192 Be\n0.500000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Ru"
],
"chemical_system": "Be-Cd-Ru",
"density": 7.5155606379598465,
"density_atomic": 0.07820080413817176,
"volume": 51.150369156466255,
"volume_molar": 7.700868074655057,
"formula_full": "Be2 Cd1 Ru1",
"formula_reduced": "Be2CdRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5465306124999998,
"spacegroup": 123
},
{
"id": "jvasp-111387",
"created_at": "2022-09-04T14:38:26.156296Z",
"updated_at": "2022-09-04T14:38:26.156323Z",
"structure_string": "Ba1 Pr1 Nb1 Co1 O6\n1.0\n4.897404 -0.000000 2.827517\n1.632468 4.617317 2.827517\n-0.000000 -0.000000 5.655035\nBa Pr Nb Co O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Co\n0.751206 0.248793 0.248794 O\n0.248793 0.751207 0.751206 O\n0.248793 0.751207 0.248793 O\n0.751206 0.248793 0.751207 O\n0.751206 0.751207 0.248794 O\n0.248793 0.248793 0.751206 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Pr",
"Nb",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nb-O-Pr",
"density": 6.831282239280989,
"density_atomic": 0.07820041887047931,
"volume": 127.87655289369562,
"volume_molar": 7.700906014294203,
"formula_full": "Ba1 Pr1 Nb1 Co1 O6",
"formula_reduced": "BaPrNbCoO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.691610712,
"spacegroup": 216
},
{
"id": "jvasp-34547",
"created_at": "2022-09-04T14:37:13.612063Z",
"updated_at": "2022-09-04T14:37:13.612095Z",
"structure_string": "Sr4 Li2 Si2 O8 F2\n1.0\n0.000000 6.576125 0.015723\n5.429618 0.000000 0.000000\n0.000000 -2.657561 -6.452864\nSr Li Si O F\n4 2 2 8 2\ndirect\n0.839351 0.250000 0.627315 Sr\n0.635469 0.750000 0.900093 Sr\n0.160650 0.750000 0.372685 Sr\n0.364532 0.250000 0.099906 Sr\n0.851862 0.250000 0.119606 Li\n0.148139 0.750000 0.880394 Li\n0.655186 0.750000 0.335166 Si\n0.344815 0.250000 0.664834 Si\n0.221497 0.494063 0.710678 O\n0.778504 0.994063 0.289322 O\n0.221497 0.005937 0.710678 O\n0.596820 0.250000 0.845592 O\n0.778504 0.505937 0.289322 O\n0.403181 0.750000 0.154407 O\n0.341776 0.250000 0.430232 O\n0.658225 0.750000 0.569767 O\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Si",
"O",
"F"
],
"chemical_system": "F-Li-O-Si-Sr",
"density": 4.2312787350604415,
"density_atomic": 0.07820031637621609,
"volume": 230.17809689417746,
"volume_molar": 7.700916107586974,
"formula_full": "Sr4 Li2 Si2 O8 F2",
"formula_reduced": "Sr2LiSiO4F",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 1.243172833611111,
"spacegroup": 11
},
{
"id": "jvasp-90799",
"created_at": "2022-09-04T14:36:08.964789Z",
"updated_at": "2022-09-04T14:36:08.964814Z",
"structure_string": "Cu6 N2\n1.0\n3.714725 0.000000 -0.000000\n0.000000 3.714725 0.000000\n0.000000 0.000000 7.413749\nCu N\n6 2\ndirect\n0.000000 0.000000 0.762267 Cu\n0.000000 0.000000 0.237733 Cu\n0.000000 0.500001 0.500000 Cu\n0.500001 0.000000 0.500000 Cu\n0.500001 0.500001 0.831976 Cu\n0.500001 0.500001 0.168024 Cu\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 6.643369052016415,
"density_atomic": 0.0781985628080205,
"volume": 102.30367046054552,
"volume_molar": 7.701088797225739,
"formula_full": "Cu6 N2",
"formula_reduced": "Cu3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.11111865,
"spacegroup": 123
},
{
"id": "jvasp-67590",
"created_at": "2022-09-04T14:36:08.288400Z",
"updated_at": "2022-09-04T14:36:08.288417Z",
"structure_string": "Ti2 Be1 Fe1\n1.0\n2.963391 0.000000 0.000000\n0.000000 2.963391 -0.000000\n0.000000 -0.000000 5.824875\nTi Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.970555 Ti\n0.500000 0.500000 0.285974 Ti\n0.000000 0.000000 0.541010 Be\n0.500000 0.500000 0.702459 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Ti",
"density": 5.213222572332502,
"density_atomic": 0.0781979676932572,
"volume": 51.15222451420447,
"volume_molar": 7.7011474052915485,
"formula_full": "Ti2 Be1 Fe1",
"formula_reduced": "Ti2BeFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.187597066666667,
"spacegroup": 99
},
{
"id": "jvasp-69924",
"created_at": "2022-09-04T14:36:11.043041Z",
"updated_at": "2022-09-04T14:36:11.043061Z",
"structure_string": "Be2 Rh1 Se1\n1.0\n-1.676075 1.676075 4.552369\n1.676075 -1.676075 4.552369\n1.676075 1.676075 -4.552369\nBe Rh Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Rh\n0.750001 0.250000 0.500001 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Rh",
"Se"
],
"chemical_system": "Be-Rh-Se",
"density": 6.488667570203125,
"density_atomic": 0.07819439902388271,
"volume": 51.1545590212707,
"volume_molar": 7.701498873545499,
"formula_full": "Be2 Rh1 Se1",
"formula_reduced": "Be2RhSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.003857141666667,
"spacegroup": 119
},
{
"id": "jvasp-11667",
"created_at": "2022-09-04T14:38:13.729366Z",
"updated_at": "2022-09-04T14:38:13.729385Z",
"structure_string": "Sr4 Mn4 O10\n1.0\n3.816492 0.000000 0.000000\n0.000000 5.538927 0.000000\n0.000000 -0.000000 10.889500\nSr Mn O\n4 4 10\ndirect\n0.000000 0.215138 0.866815 Sr\n0.000000 0.784862 0.133185 Sr\n0.000000 0.715139 0.633185 Sr\n0.000000 0.284862 0.366815 Sr\n0.500000 0.239592 0.623746 Mn\n0.500000 0.760408 0.376254 Mn\n0.500000 0.739592 0.876254 Mn\n0.500000 0.260408 0.123746 Mn\n0.000000 0.798071 0.398778 O\n0.000000 0.201930 0.601222 O\n0.500000 0.528987 0.233351 O\n0.500000 0.471014 0.766649 O\n0.500000 0.500000 0.500000 O\n0.500000 0.971014 0.733351 O\n0.500000 0.000000 0.000000 O\n0.000000 0.298071 0.101222 O\n0.500000 0.028987 0.266649 O\n0.000000 0.701930 0.898778 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.2675487016874385,
"density_atomic": 0.07819420491719833,
"volume": 230.19608702538275,
"volume_molar": 7.701517991489248,
"formula_full": "Sr4 Mn4 O10",
"formula_reduced": "Sr2Mn2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.2748849558620687,
"spacegroup": 55
},
{
"id": "jvasp-102985",
"created_at": "2022-09-04T14:37:00.007022Z",
"updated_at": "2022-09-04T14:37:00.007044Z",
"structure_string": "Sr1 Mg1 O3\n1.0\n3.998820 0.000000 0.000000\n-0.000000 3.998820 0.000000\n-0.000000 -0.000000 3.998820\nSr Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"O"
],
"chemical_system": "Mg-O-Sr",
"density": 4.153029366463877,
"density_atomic": 0.07819418143803418,
"volume": 63.94337670715696,
"volume_molar": 7.70152030400409,
"formula_full": "Sr1 Mg1 O3",
"formula_reduced": "SrMgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9183753999999996,
"spacegroup": 221
},
{
"id": "jvasp-74520",
"created_at": "2022-09-04T14:35:48.668742Z",
"updated_at": "2022-09-04T14:35:48.668770Z",
"structure_string": "Be2 Cr1 Sb1\n1.0\n-1.797771 1.797771 3.956962\n1.797771 -1.797771 3.956962\n1.797771 1.797771 -3.956962\nBe Cr Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n0.500000 0.500000 0.000000 Cr\n0.749999 0.250000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Sb"
],
"chemical_system": "Be-Cr-Sb",
"density": 6.225336773736951,
"density_atomic": 0.07819327070311789,
"volume": 51.155297176237745,
"volume_molar": 7.701610005373356,
"formula_full": "Be2 Cr1 Sb1",
"formula_reduced": "Be2CrSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6006264250000006,
"spacegroup": 119
},
{
"id": "jvasp-85844",
"created_at": "2022-09-04T14:36:06.407163Z",
"updated_at": "2022-09-04T14:36:06.407198Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Sm",
"Fe"
],
"chemical_system": "Fe-Sm",
"density": 8.542611966232949,
"density_atomic": 0.07819079686528314,
"volume": 242.9953493470027,
"volume_molar": 7.701853672594866,
"formula_full": "Sm2 Fe17",
"formula_reduced": "Sm2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.07868375,
"spacegroup": 166
},
{
"id": "jvasp-86343",
"created_at": "2022-09-04T14:35:51.062641Z",
"updated_at": "2022-09-04T14:35:51.062656Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Sm",
"Fe"
],
"chemical_system": "Fe-Sm",
"density": 8.542611966232949,
"density_atomic": 0.07819079686528314,
"volume": 242.9953493470027,
"volume_molar": 7.701853672594866,
"formula_full": "Sm2 Fe17",
"formula_reduced": "Sm2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.07868375,
"spacegroup": 166
}
]
}