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=nelements&page=91",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=89",
"results": [
{
"id": "jvasp-94824",
"created_at": "2022-09-04T14:36:17.329962Z",
"updated_at": "2022-09-04T14:36:17.329974Z",
"structure_string": "Ac6 Nd2\n1.0\n7.851017 -0.000000 0.000000\n-3.925508 6.799180 0.000000\n-0.000000 0.000000 6.335413\nAc Nd\n6 2\ndirect\n0.831102 0.168898 0.750000 Ac\n0.337796 0.168898 0.750000 Ac\n0.831102 0.662203 0.750000 Ac\n0.168898 0.831101 0.250001 Ac\n0.662203 0.831101 0.250001 Ac\n0.168899 0.337797 0.250001 Ac\n0.666667 0.333332 0.250001 Nd\n0.333333 0.666666 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Nd"
],
"chemical_system": "Ac-Nd",
"density": 8.104067098147148,
"density_atomic": 0.023655525438788825,
"volume": 338.18737278530745,
"volume_molar": 25.457649527096432,
"formula_full": "Ac6 Nd2",
"formula_reduced": "Ac3Nd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9719378749999998,
"spacegroup": 194
},
{
"id": "jvasp-90776",
"created_at": "2022-09-04T14:36:17.437548Z",
"updated_at": "2022-09-04T14:36:17.437566Z",
"structure_string": "Sr6 Mg2\n1.0\n5.548123 0.000000 -0.000000\n0.000000 5.548123 0.000000\n0.000000 0.000000 11.372119\nSr Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.250000 Sr\n0.000000 0.500000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.750000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.7244387124911267,
"density_atomic": 0.022853695156839625,
"volume": 350.05280087521294,
"volume_molar": 26.350840503784795,
"formula_full": "Sr6 Mg2",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0792486764705882,
"spacegroup": 139
},
{
"id": "jvasp-86367",
"created_at": "2022-09-04T14:36:17.208903Z",
"updated_at": "2022-09-04T14:36:17.208921Z",
"structure_string": "Ni4 S8\n1.0\n5.633267 -0.000000 0.000000\n0.000000 5.633267 0.000000\n0.000000 -0.000000 5.633267\nNi S\n4 8\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.393186 0.106814 0.893186 S\n0.106814 0.893186 0.393186 S\n0.893186 0.393186 0.106814 S\n0.606814 0.606814 0.606814 S\n0.393186 0.393186 0.393186 S\n0.106814 0.606814 0.893186 S\n0.893186 0.106814 0.606814 S\n0.606814 0.893186 0.106814 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 4.563617073018967,
"density_atomic": 0.06712746365421458,
"volume": 178.76438862362085,
"volume_molar": 8.971202593056562,
"formula_full": "Ni4 S8",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3167741333333334,
"spacegroup": 205
},
{
"id": "jvasp-98198",
"created_at": "2022-09-04T14:36:17.190018Z",
"updated_at": "2022-09-04T14:36:17.190051Z",
"structure_string": "Cd9 Au9\n1.0\n8.268347 0.000001 -0.000000\n-4.134175 7.160598 -0.000000\n0.000000 0.000000 5.903079\nCd Au\n9 9\ndirect\n0.333358 0.314415 0.213086 Cd\n0.333334 0.666667 0.646198 Cd\n0.666667 0.333333 0.500359 Cd\n0.333339 0.980062 0.914413 Cd\n0.000000 0.000000 0.500364 Cd\n0.646724 0.666662 0.914413 Cd\n0.685585 0.018942 0.213086 Cd\n0.981059 0.666643 0.213086 Cd\n0.019939 0.353276 0.914413 Cd\n0.333334 0.666667 0.153716 Au\n0.333305 0.308503 0.712811 Au\n0.975199 0.666695 0.712811 Au\n0.691497 0.024802 0.712811 Au\n0.644769 0.666684 0.416104 Au\n0.021915 0.355231 0.416104 Au\n0.333317 0.978085 0.416104 Au\n0.666667 0.333333 0.994043 Au\n0.000000 0.000000 0.994084 Au\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Cd",
"Au"
],
"chemical_system": "Au-Cd",
"density": 13.229207134892139,
"density_atomic": 0.05150221316597673,
"volume": 349.4995436796319,
"volume_molar": 11.692974708858397,
"formula_full": "Cd9 Au9",
"formula_reduced": "CdAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 157
},
{
"id": "jvasp-86857",
"created_at": "2022-09-04T14:36:17.157573Z",
"updated_at": "2022-09-04T14:36:17.157595Z",
"structure_string": "Bi8 Pd8\n1.0\n5.746006 0.027554 0.000000\n-1.049671 5.649384 -0.000000\n-0.000000 -0.000000 10.837805\nBi Pd\n8 8\ndirect\n0.849429 0.394548 0.279323 Bi\n0.122359 0.122359 0.993466 Bi\n0.394549 0.849427 0.279323 Bi\n0.605452 0.150571 0.779323 Bi\n0.365491 0.365491 0.497519 Bi\n0.634509 0.634508 0.997519 Bi\n0.150572 0.605451 0.779323 Bi\n0.877642 0.877640 0.493466 Bi\n0.087325 0.087325 0.722304 Pd\n0.327652 0.327651 0.228793 Pd\n0.623676 0.132698 0.055636 Pd\n0.672349 0.672347 0.728793 Pd\n0.867302 0.376323 0.555636 Pd\n0.376325 0.867301 0.555636 Pd\n0.132698 0.623675 0.055636 Pd\n0.912676 0.912674 0.222304 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd",
"density": 11.89887885656569,
"density_atomic": 0.04543857483071642,
"volume": 352.1237199804079,
"volume_molar": 13.253366291605255,
"formula_full": "Bi8 Pd8",
"formula_reduced": "BiPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.7130650000000002,
"spacegroup": 36
},
{
"id": "jvasp-13887",
"created_at": "2022-09-04T14:36:17.045101Z",
"updated_at": "2022-09-04T14:36:17.045126Z",
"structure_string": "Th6 Si4\n1.0\n9.495840 0.000000 -0.000000\n0.000000 9.495840 -0.000000\n0.000000 0.000000 3.398004\nTh Si\n6 4\ndirect\n0.793194 0.706806 0.499999 Th\n0.293194 0.793194 0.499999 Th\n0.206806 0.293194 0.499999 Th\n0.706806 0.206806 0.499999 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Th\n0.084966 0.584966 0.499999 Si\n0.584966 0.915034 0.499999 Si\n0.415034 0.084966 0.499999 Si\n0.915034 0.415034 0.499999 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Th",
"Si"
],
"chemical_system": "Si-Th",
"density": 8.154004314864261,
"density_atomic": 0.032636932817638,
"volume": 306.40134156833795,
"volume_molar": 18.4519200797737,
"formula_full": "Th6 Si4",
"formula_reduced": "Th3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.5728148,
"spacegroup": 127
},
{
"id": "jvasp-37039",
"created_at": "2022-09-04T14:35:47.538191Z",
"updated_at": "2022-09-04T14:35:47.538214Z",
"structure_string": "Ti3 Sn1\n1.0\n3.289745 3.289745 0.000000\n3.289745 0.000000 -3.289745\n-0.000000 3.289745 -3.289745\nTi Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 6.117146735932555,
"density_atomic": 0.056175026904843384,
"volume": 71.20601841056033,
"volume_molar": 10.720316645688646,
"formula_full": "Ti3 Sn1",
"formula_reduced": "Ti3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 2.9275941750000003,
"spacegroup": 225
},
{
"id": "jvasp-93408",
"created_at": "2022-09-04T14:36:17.143825Z",
"updated_at": "2022-09-04T14:36:17.143851Z",
"structure_string": "Sm4 O2\n1.0\n6.903271 0.000014 0.000035\n6.903286 6.402943 0.300297\n3.451661 4.410103 3.118539\nSm O\n4 2\ndirect\n0.264566 0.000002 0.470852 Sm\n0.735422 -0.000006 0.529171 Sm\n0.485436 0.499995 0.529150 Sm\n0.014579 0.500003 0.470832 Sm\n0.499994 -0.000001 0.000011 O\n0.250007 0.499999 -0.000009 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"O"
],
"chemical_system": "O-Sm",
"density": 8.172815227970176,
"density_atomic": 0.04661966749619682,
"volume": 128.70104662349797,
"volume_molar": 12.917596978767124,
"formula_full": "Sm4 O2",
"formula_reduced": "Sm2O",
"formula_anonymous": "AB2",
"energy_above_hull": 1.078369625,
"spacegroup": 141
},
{
"id": "jvasp-93380",
"created_at": "2022-09-04T14:36:17.114311Z",
"updated_at": "2022-09-04T14:36:17.114331Z",
"structure_string": "Ce2 Ru4\n1.0\n-3.781872 -3.781872 0.000000\n-3.781872 -0.000000 -3.781872\n-0.000000 -3.781872 -3.781872\nCe Ru\n2 4\ndirect\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Ce\n0.875000 0.375000 0.375000 Ru\n0.375000 0.875000 0.375000 Ru\n0.375000 0.375000 0.875000 Ru\n0.375000 0.375000 0.375000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Ru"
],
"chemical_system": "Ce-Ru",
"density": 10.507023183828165,
"density_atomic": 0.055462670577108644,
"volume": 108.18087080134953,
"volume_molar": 10.85800719175168,
"formula_full": "Ce2 Ru4",
"formula_reduced": "CeRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.210392166666667,
"spacegroup": 227
},
{
"id": "jvasp-106180",
"created_at": "2022-09-04T14:36:17.356967Z",
"updated_at": "2022-09-04T14:36:17.357003Z",
"structure_string": "Cr1 O3\n1.0\n4.795897 -0.214508 0.000000\n-2.544994 4.070583 0.000000\n0.000000 0.000000 3.065828\nCr O\n1 3\ndirect\n0.865568 0.865566 0.000000 Cr\n0.066595 0.066595 0.500000 O\n0.800488 0.501629 0.000000 O\n0.501631 0.800486 0.000000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.8540913789729636,
"density_atomic": 0.06875487915618152,
"volume": 58.17768933770824,
"volume_molar": 8.758855857080755,
"formula_full": "Cr1 O3",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5872844750000006,
"spacegroup": 38
},
{
"id": "jvasp-91416",
"created_at": "2022-09-04T14:36:17.267027Z",
"updated_at": "2022-09-04T14:36:17.267050Z",
"structure_string": "Mn16 O24\n1.0\n7.729958 0.000000 -2.732953\n-3.864980 6.694341 -2.732953\n-0.000000 -0.000000 8.198860\nMn O\n16 24\ndirect\n0.500000 0.500000 0.500000 Mn\n0.965466 0.250000 0.215466 Mn\n0.750000 0.284535 0.534535 Mn\n0.284535 0.534535 0.750000 Mn\n0.250000 0.215465 0.965466 Mn\n0.534535 0.750000 0.284535 Mn\n0.034535 0.750000 0.784535 Mn\n0.250000 0.715465 0.465466 Mn\n0.215465 0.965465 0.250000 Mn\n0.715465 0.465465 0.250000 Mn\n0.750000 0.784535 0.034535 Mn\n0.465465 0.250000 0.715466 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.784535 0.034535 0.750000 Mn\n0.015975 0.954794 0.727491 O\n0.288484 0.772509 0.727304 O\n0.484025 0.211516 0.938819 O\n0.954794 0.727490 0.015975 O\n0.772697 0.545206 0.561181 O\n0.211516 0.938819 0.484026 O\n0.545206 0.561181 0.772697 O\n0.727491 0.015975 0.954794 O\n0.561181 0.772696 0.545207 O\n0.727304 0.288484 0.772510 O\n0.061181 0.515975 0.788484 O\n0.515975 0.788484 0.061181 O\n0.272510 0.984025 0.045206 O\n0.227303 0.454794 0.438819 O\n0.454794 0.438819 0.227304 O\n0.788485 0.061181 0.515975 O\n0.272697 0.711516 0.227491 O\n0.045206 0.272510 0.984025 O\n0.772510 0.727303 0.288485 O\n0.711516 0.227490 0.272697 O\n0.984025 0.045206 0.272510 O\n0.438819 0.227303 0.454794 O\n0.227490 0.272697 0.711516 O\n0.938819 0.484025 0.211516 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.943244127443794,
"density_atomic": 0.09428043019796768,
"volume": 424.26620154372443,
"volume_molar": 6.387476963517095,
"formula_full": "Mn16 O24",
"formula_reduced": "Mn2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.991132996551724,
"spacegroup": 206
},
{
"id": "jvasp-86328",
"created_at": "2022-09-04T14:36:16.914038Z",
"updated_at": "2022-09-04T14:36:16.914068Z",
"structure_string": "Ba2 N4\n1.0\n4.130800 -0.009802 0.928765\n1.753151 3.740330 0.928765\n0.000651 0.000412 7.297545\nBa N\n2 4\ndirect\n0.796509 0.203491 0.249999 Ba\n0.203491 0.796509 0.749999 Ba\n0.150445 0.442792 0.454644 N\n0.557208 0.849556 0.045355 N\n0.442791 0.150445 0.954644 N\n0.849555 0.557209 0.545354 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"N"
],
"chemical_system": "Ba-N",
"density": 4.864818806567285,
"density_atomic": 0.053156924082379785,
"volume": 112.87334817758676,
"volume_molar": 11.328986512965285,
"formula_full": "Ba2 N4",
"formula_reduced": "BaN2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7525508233333333,
"spacegroup": 15
}
]
}