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=1121",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1119",
"results": [
{
"id": "jvasp-5404",
"created_at": "2022-09-04T14:38:11.844665Z",
"updated_at": "2022-09-04T14:38:11.844681Z",
"structure_string": "V2 N2 Cl8\n1.0\n5.908637 0.172743 -0.017710\n-2.730131 6.447724 -0.044311\n-0.660690 -2.854916 7.054673\nV N Cl\n2 2 8\ndirect\n0.266744 0.498568 0.154123 V\n0.733255 0.501431 0.845877 V\n0.908257 0.652956 0.741255 N\n0.091743 0.347042 0.258745 N\n0.901943 0.195365 0.343573 Cl\n0.098057 0.804634 0.656427 Cl\n0.445178 0.234489 0.590387 Cl\n0.554821 0.765509 0.409613 Cl\n0.518583 0.711621 0.951130 Cl\n0.481417 0.288377 0.048870 Cl\n0.955200 0.274424 0.843601 Cl\n0.044800 0.725574 0.156399 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"N",
"Cl"
],
"chemical_system": "Cl-N-V",
"density": 2.5325652037814983,
"density_atomic": 0.04425841379430136,
"volume": 271.134886482197,
"volume_molar": 13.606770427853426,
"formula_full": "V2 N2 Cl8",
"formula_reduced": "VNCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7138706199999998,
"spacegroup": 2
},
{
"id": "jvasp-12548",
"created_at": "2022-09-04T14:38:11.844283Z",
"updated_at": "2022-09-04T14:38:11.844305Z",
"structure_string": "K1 Li6 Bi1 O6\n1.0\n5.362400 -0.002026 -1.091621\n-1.335840 5.193349 -1.091621\n-0.001571 -0.002026 5.472383\nK Li Bi O\n1 6 1 6\ndirect\n0.500000 0.499999 0.500000 K\n0.344970 -0.000001 0.655030 Li\n0.000000 0.655030 0.344970 Li\n0.344970 0.655030 0.000000 Li\n0.000000 0.344970 0.655030 Li\n0.655030 -0.000001 0.344970 Li\n0.655030 0.344970 0.000000 Li\n0.000000 0.000000 0.000000 Bi\n0.904605 0.281851 0.281852 O\n0.281852 0.904605 0.281852 O\n0.718148 0.718147 0.095394 O\n0.095394 0.718147 0.718148 O\n0.718148 0.095393 0.718148 O\n0.281852 0.281851 0.904605 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-K-Li-O",
"density": 4.203868468699202,
"density_atomic": 0.09188712447748756,
"volume": 152.36084576169335,
"volume_molar": 6.553846139211192,
"formula_full": "K1 Li6 Bi1 O6",
"formula_reduced": "KLi6BiO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.5074702357142855,
"spacegroup": 166
},
{
"id": "jvasp-20614",
"created_at": "2022-09-04T14:38:11.841145Z",
"updated_at": "2022-09-04T14:38:11.841163Z",
"structure_string": "Er1 Sb1\n1.0\n3.756318 0.000000 2.168711\n1.252106 3.541490 2.168711\n-0.000000 0.000000 4.337423\nEr Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500001 0.500000 0.499999 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Sb"
],
"chemical_system": "Er-Sb",
"density": 8.317548505765114,
"density_atomic": 0.0346616989866791,
"volume": 57.70057609607145,
"volume_molar": 17.374049559181678,
"formula_full": "Er1 Sb1",
"formula_reduced": "ErSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.4218830499999999,
"spacegroup": 225
},
{
"id": "jvasp-10739",
"created_at": "2022-09-04T14:38:11.837691Z",
"updated_at": "2022-09-04T14:38:11.837717Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n3.447865 -0.000243 -0.000163\n-1.723441 6.691006 -0.284412\n-1.723477 -1.884552 9.180529\nMg Bi O\n1 4 8\ndirect\n0.497591 0.201995 0.793044 Mg\n0.263186 0.641533 0.884719 Bi\n0.327790 0.207292 0.448161 Bi\n0.678699 0.797458 0.559805 Bi\n0.801214 0.428691 0.173612 Bi\n0.422824 0.526109 0.319421 O\n0.329865 0.885126 0.774469 O\n0.727235 0.165443 0.288887 O\n0.620090 0.497527 0.742518 O\n0.883181 0.731463 0.034797 O\n0.886229 0.133221 0.639109 O\n0.139021 0.340031 0.937876 O\n0.151195 0.874766 0.427478 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 7.816520222144287,
"density_atomic": 0.061923184209889376,
"volume": 209.93752446476822,
"volume_molar": 9.725179408713677,
"formula_full": "Mg1 Bi4 O8",
"formula_reduced": "Mg(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.976349557692308,
"spacegroup": 8
},
{
"id": "jvasp-42542",
"created_at": "2022-09-04T14:38:11.837587Z",
"updated_at": "2022-09-04T14:38:11.837604Z",
"structure_string": "Li1 Fe3 O3 F4\n1.0\n4.030445 2.326979 2.100034\n-4.030445 2.326979 2.100034\n-0.000000 -4.653958 2.100034\nLi Fe O F\n1 3 3 4\ndirect\n0.926377 0.926377 0.926377 Li\n0.172638 0.529746 0.529746 Fe\n0.529745 0.529745 0.172638 Fe\n0.529746 0.172638 0.529746 Fe\n0.397955 0.767810 0.397955 O\n0.397955 0.397955 0.767810 O\n0.767810 0.397955 0.397955 O\n0.203320 0.828649 0.828649 F\n0.230078 0.230078 0.230078 F\n0.828649 0.828649 0.203320 F\n0.828649 0.203320 0.828649 F\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.19395301700024,
"density_atomic": 0.09308284434120824,
"volume": 118.17430030047164,
"volume_molar": 6.469657005672277,
"formula_full": "Li1 Fe3 O3 F4",
"formula_reduced": "LiFe3O3F4",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.7823125572727272,
"spacegroup": 160
},
{
"id": "jvasp-44773",
"created_at": "2022-09-04T14:38:11.830620Z",
"updated_at": "2022-09-04T14:38:11.830653Z",
"structure_string": "Li6 Fe4 O2 F10\n1.0\n5.088848 0.041801 -0.015513\n-1.633570 4.819771 -0.013455\n-1.701794 -2.396033 8.880943\nLi Fe O F\n6 4 2 10\ndirect\n0.791564 0.541550 0.083336 Li\n0.876908 0.126993 0.253693 Li\n0.541750 0.791497 0.583334 Li\n0.468273 0.218339 0.436935 Li\n0.114998 0.864945 0.729722 Li\n0.206587 0.456493 0.912970 Li\n0.291571 0.041522 0.083330 Fe\n0.041576 0.291715 0.583331 Fe\n0.364718 0.614853 0.229430 Fe\n0.718773 0.968606 0.937240 Fe\n0.544534 0.788895 0.083297 O\n0.038965 0.294527 0.083368 O\n0.118492 0.887752 0.254083 F\n0.800696 0.532595 0.583311 F\n0.635498 0.366361 0.253918 F\n0.676794 0.965778 0.418766 F\n0.367566 0.656444 0.747882 F\n0.241845 0.453020 0.418758 F\n0.282496 0.050849 0.583356 F\n0.445726 0.214812 0.912703 F\n0.880356 0.091417 0.747924 F\n0.966992 0.697698 0.912640 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.708276487197029,
"density_atomic": 0.10088087802759951,
"volume": 218.07899009345584,
"volume_molar": 5.969556250642895,
"formula_full": "Li6 Fe4 O2 F10",
"formula_reduced": "Li3Fe2OF5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 0.9534569011363634,
"spacegroup": 22
},
{
"id": "jvasp-51677",
"created_at": "2022-09-04T14:38:11.824637Z",
"updated_at": "2022-09-04T14:38:11.824670Z",
"structure_string": "Sr4 H8 Cl8 O4\n1.0\n4.045157 0.000000 0.000000\n0.000000 8.110961 0.000000\n0.000000 0.000000 12.091593\nSr H Cl O\n4 8 8 4\ndirect\n0.750000 0.288208 0.483348 Sr\n0.750000 0.788208 0.016651 Sr\n0.250000 0.711792 0.516651 Sr\n0.250000 0.211792 -0.016651 Sr\n0.750000 0.100981 0.245094 H\n0.250000 0.399019 0.745094 H\n0.250000 0.899019 0.754906 H\n0.750000 0.600981 0.254906 H\n0.750000 0.058244 0.832062 H\n0.250000 0.441756 0.332063 H\n0.250000 0.941756 0.167937 H\n0.750000 0.558244 0.667937 H\n0.250000 0.257289 0.694170 Cl\n0.250000 0.757288 0.805830 Cl\n0.750000 0.742711 0.305830 Cl\n0.750000 0.242711 0.194170 Cl\n0.250000 0.542898 0.114802 Cl\n0.250000 0.042898 0.385198 Cl\n0.750000 0.457102 0.885197 Cl\n0.750000 -0.042898 0.614802 Cl\n0.750000 0.555918 0.587006 O\n0.250000 0.444082 0.412994 O\n0.250000 0.944082 0.087006 O\n0.750000 0.055918 0.912993 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.9557258112512392,
"density_atomic": 0.06049507590339682,
"volume": 396.7265044567436,
"volume_molar": 9.954761887755323,
"formula_full": "Sr4 H8 Cl8 O4",
"formula_reduced": "SrH2Cl2O",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.064676324166667,
"spacegroup": 62
},
{
"id": "jvasp-9115",
"created_at": "2022-09-04T14:38:11.824052Z",
"updated_at": "2022-09-04T14:38:11.824079Z",
"structure_string": "Sr2 N12\n1.0\n5.475580 -0.000000 2.833678\n2.737791 5.803781 1.416840\n0.055724 -0.000000 6.599458\nSr N\n2 12\ndirect\n0.624999 0.750000 0.750001 Sr\n0.375000 0.250000 0.250000 Sr\n0.830848 0.382080 0.497980 N\n0.210908 0.117920 0.002021 N\n0.000491 0.250000 0.999018 N\n0.749508 0.250000 0.500984 N\n0.999508 0.750000 0.000983 N\n0.250491 0.750000 0.499018 N\n0.328827 0.882080 0.502021 N\n0.212928 0.617920 -0.002021 N\n0.789092 0.882080 -0.002021 N\n0.169151 0.617920 0.502021 N\n0.671172 0.117920 0.497980 N\n0.787072 0.382080 0.002021 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"N"
],
"chemical_system": "N-Sr",
"density": 2.73024235817805,
"density_atomic": 0.06704718191450998,
"volume": 208.808179557062,
"volume_molar": 8.981944636657014,
"formula_full": "Sr2 N12",
"formula_reduced": "SrN6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.914025115714285,
"spacegroup": 70
},
{
"id": "jvasp-18289",
"created_at": "2022-09-04T14:38:11.819003Z",
"updated_at": "2022-09-04T14:38:11.819035Z",
"structure_string": "Co1 Si1\n1.0\n2.796615 0.000000 0.000000\n-0.000000 2.796615 0.000000\n-0.000000 -0.000000 2.796615\nCo Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.499999 0.499999 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Si"
],
"chemical_system": "Co-Si",
"density": 6.6063809818364225,
"density_atomic": 0.09143910098986117,
"volume": 21.87248101030391,
"volume_molar": 6.585957970723859,
"formula_full": "Co1 Si1",
"formula_reduced": "CoSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.99773475,
"spacegroup": 221
},
{
"id": "jvasp-49951",
"created_at": "2022-09-04T14:38:11.817909Z",
"updated_at": "2022-09-04T14:38:11.817942Z",
"structure_string": "Na1 Ti1 S2\n1.0\n1.761241 1.016853 6.803924\n-1.761241 1.016853 6.803924\n0.000000 -2.033706 6.803924\nNa Ti S\n1 1 2\ndirect\n0.833796 0.833796 0.833800 Na\n0.002183 0.002183 0.002183 Ti\n0.405708 0.405708 0.405710 S\n0.598308 0.598308 0.598311 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ti",
"S"
],
"chemical_system": "Na-S-Ti",
"density": 3.065862231049848,
"density_atomic": 0.05471070686707902,
"volume": 73.11183183427143,
"volume_molar": 11.00724356318579,
"formula_full": "Na1 Ti1 S2",
"formula_reduced": "NaTiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.355859333333333,
"spacegroup": 160
},
{
"id": "jvasp-21514",
"created_at": "2022-09-04T14:38:11.817167Z",
"updated_at": "2022-09-04T14:38:11.817206Z",
"structure_string": "Y2 P2 O8\n1.0\n5.529429 0.013800 -1.595797\n-3.125524 4.561346 -1.595797\n-0.007250 -0.013800 5.755093\nY P O\n2 2 8\ndirect\n0.125001 0.875001 0.250000 Y\n0.875000 0.125000 0.749999 Y\n0.375001 0.625001 0.749999 P\n0.625001 0.375000 0.250000 P\n0.784425 0.359189 0.074765 O\n0.709660 0.784425 0.925234 O\n0.359190 0.784425 0.574765 O\n0.784425 0.709659 0.425234 O\n0.290342 0.215576 0.074765 O\n0.215577 0.640812 0.925234 O\n0.215576 0.290341 0.574765 O\n0.640812 0.215576 0.425234 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"P",
"O"
],
"chemical_system": "O-P-Y",
"density": 4.2069402320410845,
"density_atomic": 0.08266860035385014,
"volume": 145.15789487950514,
"volume_molar": 7.28467729491386,
"formula_full": "Y2 P2 O8",
"formula_reduced": "YPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.334804158333334,
"spacegroup": 141
},
{
"id": "jvasp-18164",
"created_at": "2022-09-04T14:38:11.805575Z",
"updated_at": "2022-09-04T14:38:11.805606Z",
"structure_string": "Hf4 In2 C2\n1.0\n1.661394 -2.877620 -0.000000\n1.661394 2.877620 -0.000000\n-0.000000 0.000000 14.792308\nHf In C\n4 2 2\ndirect\n0.333332 0.666666 0.082374 Hf\n0.666666 0.333332 0.582374 Hf\n0.666666 0.333332 0.917626 Hf\n0.333332 0.666666 0.417626 Hf\n0.333332 0.666666 0.750000 In\n0.666666 0.333332 0.250000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"In",
"C"
],
"chemical_system": "C-Hf-In",
"density": 11.360063245576754,
"density_atomic": 0.0565611159377724,
"volume": 141.43992506798253,
"volume_molar": 10.64713922304054,
"formula_full": "Hf4 In2 C2",
"formula_reduced": "Hf2InC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9336289925,
"spacegroup": 194
}
]
}