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=created_at&page=4068",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4066",
"results": [
{
"id": "jvasp-110837",
"created_at": "2022-09-04T14:38:37.205415Z",
"updated_at": "2022-09-04T14:38:37.205441Z",
"structure_string": "Nd3 Pa1\n1.0\n4.563346 0.021406 -4.194255\n-0.865685 4.480533 -4.194255\n-0.017582 -0.021406 6.198032\nNd Pa\n3 1\ndirect\n0.750001 0.250000 0.500000 Nd\n0.250001 0.749999 0.499999 Nd\n0.500001 0.500000 -0.000000 Nd\n0.000000 0.000000 0.000000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Pa"
],
"chemical_system": "Nd-Pa",
"density": 8.745908460034357,
"density_atomic": 0.031739750911036375,
"volume": 126.02493356711068,
"volume_molar": 18.973497230269736,
"formula_full": "Nd3 Pa1",
"formula_reduced": "Nd3Pa",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4764244000000004,
"spacegroup": 139
},
{
"id": "jvasp-111013",
"created_at": "2022-09-04T14:38:37.205961Z",
"updated_at": "2022-09-04T14:38:37.205982Z",
"structure_string": "Pr2 Al3 Ge1\n1.0\n4.313032 -0.000000 0.000000\n0.000000 4.354299 0.000000\n-0.000000 -0.000000 7.532250\nPr Al Ge\n2 3 1\ndirect\n-0.000000 0.500000 0.005997 Pr\n0.000000 0.000000 0.494753 Pr\n0.500000 0.000000 0.830948 Al\n0.500000 0.000000 0.166161 Al\n0.500000 0.500000 0.666626 Al\n0.500000 0.500000 0.335514 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Pr",
"density": 5.1110694703592685,
"density_atomic": 0.04241559818227084,
"volume": 141.4573943815773,
"volume_molar": 14.197939008478196,
"formula_full": "Pr2 Al3 Ge1",
"formula_reduced": "Pr2Al3Ge",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.602647341666667,
"spacegroup": 25
},
{
"id": "jvasp-110741",
"created_at": "2022-09-04T14:38:37.207583Z",
"updated_at": "2022-09-04T14:38:37.207593Z",
"structure_string": "Ac3 Zr1\n1.0\n4.842791 -0.011341 -4.338294\n-0.973961 4.743854 -4.338294\n0.009272 0.011341 6.501794\nAc Zr\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.749999 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"Zr"
],
"chemical_system": "Ac-Zr",
"density": 8.561587791227035,
"density_atomic": 0.026706803635051186,
"volume": 149.77456885743615,
"volume_molar": 22.54908839819482,
"formula_full": "Ac3 Zr1",
"formula_reduced": "Ac3Zr",
"formula_anonymous": "AB3",
"energy_above_hull": 1.692643625,
"spacegroup": 139
},
{
"id": "jvasp-111108",
"created_at": "2022-09-04T14:38:37.211815Z",
"updated_at": "2022-09-04T14:38:37.211837Z",
"structure_string": "Al2 V2 Cr2 C2\n1.0\n2.881018 -0.000000 0.000000\n-1.440509 2.495035 0.000000\n-0.000000 0.000000 12.840741\nAl V Cr C\n2 2 2 2\ndirect\n0.333334 0.666668 0.742606 Al\n0.666667 0.333334 0.257394 Al\n0.666667 0.333334 0.911475 V\n0.333334 0.666668 0.088525 V\n0.333334 0.666668 0.417484 Cr\n0.666667 0.333334 0.582515 Cr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Al",
"V",
"Cr",
"C"
],
"chemical_system": "Al-C-Cr-V",
"density": 5.106697136511358,
"density_atomic": 0.08667169437727525,
"volume": 92.30233766028172,
"volume_molar": 6.94822087334082,
"formula_full": "Al2 V2 Cr2 C2",
"formula_reduced": "AlVCrC",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.1167336,
"spacegroup": 164
},
{
"id": "jvasp-118099",
"created_at": "2022-09-04T14:38:37.212068Z",
"updated_at": "2022-09-04T14:38:37.212088Z",
"structure_string": "Sr2 N1 Cl1\n1.0\n1.941098 1.120694 7.032493\n-1.941098 1.120694 7.032493\n-0.000000 -2.241387 7.032493\nSr N Cl\n2 1 1\ndirect\n0.769471 0.769471 0.769472 Sr\n0.230528 0.230528 0.230528 Sr\n0.499999 0.499999 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sr",
"density": 4.064963509607532,
"density_atomic": 0.04357777504390056,
"volume": 91.7899088691511,
"volume_molar": 13.819293788940008,
"formula_full": "Sr2 N1 Cl1",
"formula_reduced": "Sr2NCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6132924843749997,
"spacegroup": 166
},
{
"id": "jvasp-110843",
"created_at": "2022-09-04T14:38:37.218982Z",
"updated_at": "2022-09-04T14:38:37.219010Z",
"structure_string": "Pm2 Cd1 Hg1\n1.0\n4.654132 -0.000000 2.687065\n1.551377 4.387958 2.687065\n-0.000000 -0.000000 5.374129\nPm Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.749999 Pm\n0.500000 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Pm",
"density": 9.12342453909391,
"density_atomic": 0.03644607342717417,
"volume": 109.75119193546932,
"volume_molar": 16.523428160329328,
"formula_full": "Pm2 Cd1 Hg1",
"formula_reduced": "Pm2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.302616659375,
"spacegroup": 225
},
{
"id": "jvasp-110860",
"created_at": "2022-09-04T14:38:37.220967Z",
"updated_at": "2022-09-04T14:38:37.220989Z",
"structure_string": "Th3 Pb1\n1.0\n4.986140 -0.000000 0.000000\n0.000000 4.986140 0.000000\n-0.000000 0.000000 4.986140\nTh Pb\n3 1\ndirect\n-0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 -0.000000 Th\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Pb"
],
"chemical_system": "Pb-Th",
"density": 12.100254925631246,
"density_atomic": 0.03226759416938049,
"volume": 123.96337883149954,
"volume_molar": 18.663122910212365,
"formula_full": "Th3 Pb1",
"formula_reduced": "Th3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 2.528301905,
"spacegroup": 221
},
{
"id": "jvasp-110746",
"created_at": "2022-09-04T14:38:37.230371Z",
"updated_at": "2022-09-04T14:38:37.230394Z",
"structure_string": "Ac1 Y3\n1.0\n4.716859 -0.044468 -4.152898\n-0.992145 4.611549 -4.152898\n0.036266 0.044468 6.284426\nAc Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750001 0.250000 0.500001 Y\n0.250001 0.750000 0.500001 Y\n0.500001 0.500000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"Y"
],
"chemical_system": "Ac-Y",
"density": 5.9332284276589755,
"density_atomic": 0.028948322185381986,
"volume": 138.17726548655995,
"volume_molar": 20.803073564798847,
"formula_full": "Ac1 Y3",
"formula_reduced": "AcY3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3756165875,
"spacegroup": 139
},
{
"id": "jvasp-110669",
"created_at": "2022-09-04T14:38:37.234542Z",
"updated_at": "2022-09-04T14:38:37.234559Z",
"structure_string": "K3 Cr1 F6\n1.0\n5.348888 -0.000000 3.088182\n1.782963 5.042980 3.088182\n-0.000000 -0.000000 6.176364\nK Cr F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Cr\n0.780579 0.219421 0.219421 F\n0.219421 0.780579 0.780578 F\n0.219421 0.780579 0.219421 F\n0.780579 0.219421 0.780578 F\n0.219421 0.219421 0.780578 F\n0.780579 0.780579 0.219421 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Cr",
"F"
],
"chemical_system": "Cr-F-K",
"density": 2.8234724463679943,
"density_atomic": 0.060022816031859286,
"volume": 166.60331289175332,
"volume_molar": 10.033086013164612,
"formula_full": "K3 Cr1 F6",
"formula_reduced": "K3CrF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109934",
"created_at": "2022-09-04T14:38:37.234744Z",
"updated_at": "2022-09-04T14:38:37.234763Z",
"structure_string": "Cd1 In3\n1.0\n4.620668 -0.000000 2.667744\n1.540223 4.356407 2.667744\n-0.000000 -0.000000 5.335488\nCd In\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.749999 In\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"In"
],
"chemical_system": "Cd-In",
"density": 7.063657385126098,
"density_atomic": 0.03724368386139734,
"volume": 107.40076129112337,
"volume_molar": 16.16956255565761,
"formula_full": "Cd1 In3",
"formula_reduced": "CdIn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110584",
"created_at": "2022-09-04T14:38:37.236534Z",
"updated_at": "2022-09-04T14:38:37.236562Z",
"structure_string": "Fe2 Cu1 S3\n1.0\n3.573135 0.000000 0.000000\n-1.786567 3.094425 -0.000000\n0.000000 0.000000 8.653934\nFe Cu S\n2 1 3\ndirect\n0.000000 0.000000 0.269324 Fe\n0.666666 0.333334 0.566351 Fe\n0.333333 0.666668 0.917167 Cu\n0.000000 0.000000 0.019583 S\n0.666666 0.333334 0.322732 S\n0.333333 0.666668 0.654842 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Cu",
"S"
],
"chemical_system": "Cu-Fe-S",
"density": 4.710484503369254,
"density_atomic": 0.06270588268154656,
"volume": 95.68480250044728,
"volume_molar": 9.60378915417489,
"formula_full": "Fe2 Cu1 S3",
"formula_reduced": "Fe2CuS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.184098575,
"spacegroup": 156
},
{
"id": "jvasp-120424",
"created_at": "2022-09-04T14:38:37.241729Z",
"updated_at": "2022-09-04T14:38:37.241747Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.383282 -0.020276 0.696028\n0.702383 6.344553 0.696028\n0.072304 0.064534 4.901213\nLi Mn Co O\n7 4 1 12\ndirect\n0.092001 0.429853 0.757298 Li\n0.570146 0.907998 0.242703 Li\n0.927082 0.586871 0.247024 Li\n0.413128 0.072917 0.752977 Li\n0.746114 0.749731 0.755700 Li\n0.250267 0.253885 0.244301 Li\n0.332274 0.667725 0.000001 Li\n0.006178 0.993821 0.000001 Mn\n0.496113 0.503885 0.500000 Mn\n0.830059 0.169940 0.500000 Mn\n0.666155 0.333844 0.000001 Mn\n0.168200 0.831798 0.500000 Co\n0.947827 0.280834 0.121824 O\n0.449686 0.778040 0.608659 O\n0.777505 0.450505 0.633722 O\n0.270135 0.957958 0.134058 O\n0.626218 0.601522 0.139054 O\n0.109535 0.109767 0.631049 O\n0.221959 0.550313 0.391342 O\n0.719164 0.052172 0.878177 O\n0.042041 0.729864 0.865943 O\n0.549493 0.222493 0.366279 O\n0.890231 0.890463 0.368952 O\n0.398477 0.373780 0.860947 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.355093442051846,
"density_atomic": 0.12121892398450608,
"volume": 197.98888829493012,
"volume_molar": 4.967987309283273,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.786208411063218,
"spacegroup": 5
}
]
}