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=updated_at&page=154",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=152",
"results": [
{
"id": "jvasp-48645",
"created_at": "2022-09-04T14:35:45.750155Z",
"updated_at": "2022-09-04T14:35:45.750176Z",
"structure_string": "V4 O4 F12\n1.0\n5.691918 -0.000000 -0.000000\n0.000000 5.691918 -0.000000\n0.000000 0.000000 7.851217\nV O F\n4 4 12\ndirect\n0.000520 0.287608 0.022224 V\n0.287608 -0.000520 0.772224 V\n0.712393 0.000520 0.272224 V\n-0.000520 0.712393 0.522224 V\n0.032346 0.756864 0.731504 O\n0.243136 0.032346 0.981504 O\n0.756864 0.967655 0.481504 O\n0.967655 0.243136 0.231504 O\n0.769805 0.511845 0.509677 F\n0.782639 0.014972 0.015446 F\n0.525613 0.768043 0.223476 F\n0.511845 0.230195 0.259677 F\n0.488156 0.769805 0.759677 F\n0.231957 0.525613 0.473476 F\n0.217362 0.985028 0.515446 F\n0.230195 0.488156 0.009677 F\n0.768043 0.474388 0.973476 F\n0.014972 0.217362 0.765447 F\n0.474388 0.231957 0.723476 F\n0.985028 0.782639 0.265446 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2363292430070074,
"density_atomic": 0.07862773132354174,
"volume": 254.36318285342472,
"volume_molar": 7.659054456524711,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8129217094999999,
"spacegroup": 76
},
{
"id": "jvasp-56503",
"created_at": "2022-09-04T14:35:45.757045Z",
"updated_at": "2022-09-04T14:35:45.757074Z",
"structure_string": "Sc3 In1\n1.0\n4.491408 0.000000 -0.000000\n0.000000 4.491408 -0.000000\n0.000000 0.000000 4.491408\nSc In\n3 1\ndirect\n0.500000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"In"
],
"chemical_system": "In-Sc",
"density": 4.576097884283099,
"density_atomic": 0.04414814565172348,
"volume": 90.60403196898137,
"volume_molar": 13.640755848518646,
"formula_full": "Sc3 In1",
"formula_reduced": "Sc3In",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7521014299999995,
"spacegroup": 221
},
{
"id": "jvasp-44528",
"created_at": "2022-09-04T14:35:45.758502Z",
"updated_at": "2022-09-04T14:35:45.758519Z",
"structure_string": "Li2 Co3 Te1 O8\n1.0\n5.930991 0.081872 0.057892\n3.036399 5.095453 0.057892\n3.036399 1.753066 4.784742\nLi Co Te O\n2 3 1 8\ndirect\n0.131104 0.131104 0.131104 Li\n0.868897 0.868896 0.868895 Li\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.500000 0.500000 0.499999 Te\n0.268484 0.268484 0.268484 O\n0.259099 0.259099 0.717957 O\n0.259099 0.717957 0.259099 O\n0.717957 0.259099 0.259099 O\n0.282043 0.740901 0.740900 O\n0.740901 0.282043 0.740900 O\n0.740902 0.740901 0.282042 O\n0.731517 0.731516 0.731515 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Te",
"O"
],
"chemical_system": "Co-Li-O-Te",
"density": 5.210089778514496,
"density_atomic": 0.09842826944496363,
"volume": 142.23555975276116,
"volume_molar": 6.118304013632275,
"formula_full": "Li2 Co3 Te1 O8",
"formula_reduced": "Li2Co3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.675291319047618,
"spacegroup": 166
},
{
"id": "jvasp-75472",
"created_at": "2022-09-04T14:35:45.760724Z",
"updated_at": "2022-09-04T14:35:45.760752Z",
"structure_string": "Y1 Tc1 As1\n1.0\n0.000000 3.161645 3.161645\n3.161645 -0.000000 3.161645\n3.161645 3.161645 0.000000\nY Tc As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.749999 0.749999 0.749999 Tc\n0.499999 0.499999 0.499999 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Tc",
"As"
],
"chemical_system": "As-Tc-Y",
"density": 6.878519375320602,
"density_atomic": 0.04746264600547,
"volume": 63.207601187136824,
"volume_molar": 12.688169048362704,
"formula_full": "Y1 Tc1 As1",
"formula_reduced": "YTcAs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1311829,
"spacegroup": 216
},
{
"id": "jvasp-74790",
"created_at": "2022-09-04T14:35:45.760978Z",
"updated_at": "2022-09-04T14:35:45.761009Z",
"structure_string": "Hf1 Be2 Ru1\n1.0\n3.063803 0.000000 0.000000\n0.000000 3.063803 -0.000000\n0.000000 0.000000 5.798930\nHf Be Ru\n1 2 1\ndirect\n0.000000 0.000000 0.515824 Hf\n0.000000 0.000000 0.002663 Be\n0.499999 0.499999 0.189104 Be\n0.499999 0.499999 0.792409 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ru"
],
"chemical_system": "Be-Hf-Ru",
"density": 9.077989274082341,
"density_atomic": 0.07348360446140444,
"volume": 54.4339112012518,
"volume_molar": 8.195216884281976,
"formula_full": "Hf1 Be2 Ru1",
"formula_reduced": "HfBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.388483925,
"spacegroup": 99
},
{
"id": "jvasp-91683",
"created_at": "2022-09-04T14:35:45.761605Z",
"updated_at": "2022-09-04T14:35:45.761630Z",
"structure_string": "K4 Co4\n1.0\n0.000000 -0.000000 3.644352\n10.718373 0.000000 0.000000\n0.000000 5.583650 -0.000000\nK Co\n4 4\ndirect\n0.250000 0.399699 0.499881 K\n0.750000 0.100300 0.500119 K\n0.750000 0.899699 0.000119 K\n0.250000 0.600300 -0.000119 K\n0.250000 0.804663 0.500142 Co\n0.750000 0.695337 0.499858 Co\n0.750000 0.304663 -0.000142 Co\n0.250000 0.195337 0.000142 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Co"
],
"chemical_system": "Co-K",
"density": 2.9854330934455913,
"density_atomic": 0.036679433124027404,
"volume": 218.10587892536108,
"volume_molar": 16.418303793400526,
"formula_full": "K4 Co4",
"formula_reduced": "KCo",
"formula_anonymous": "AB",
"energy_above_hull": 1.13991945,
"spacegroup": 74
},
{
"id": "jvasp-65674",
"created_at": "2022-09-04T14:35:45.766527Z",
"updated_at": "2022-09-04T14:35:45.766566Z",
"structure_string": "Ba1 Be1 Ir2\n1.0\n4.235389 0.000000 0.000000\n0.000000 4.235389 0.000000\n0.000000 -0.000000 4.227269\nBa Be Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Ir"
],
"chemical_system": "Ba-Be-Ir",
"density": 11.622821696443252,
"density_atomic": 0.052748910971580916,
"volume": 75.83094942291882,
"volume_molar": 11.416616284731449,
"formula_full": "Ba1 Be1 Ir2",
"formula_reduced": "BaBeIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8940185675,
"spacegroup": 123
},
{
"id": "jvasp-98162",
"created_at": "2022-09-04T14:35:45.767111Z",
"updated_at": "2022-09-04T14:35:45.767128Z",
"structure_string": "K4 Fe2 H8 S4 O20\n1.0\n6.782686 -0.033474 -2.503118\n-2.280643 9.986121 -3.505594\n0.016268 -0.015202 6.459380\nK Fe H S O\n4 2 8 4 20\ndirect\n0.746433 0.900899 0.189104 K\n0.253569 0.099101 0.810897 K\n0.238118 0.575496 0.812831 K\n0.761883 0.424505 0.187170 K\n0.473038 0.750054 0.498506 Fe\n0.526964 0.249947 0.501495 Fe\n0.073624 0.714062 0.369484 H\n0.827894 0.205161 0.343863 H\n0.172108 0.794840 0.656138 H\n0.926378 0.285938 0.630517 H\n0.820301 0.700834 0.562855 H\n0.151219 0.141622 0.375400 H\n0.848783 0.858379 0.624601 H\n0.179700 0.299166 0.437146 H\n0.273261 0.924948 0.173206 S\n0.726741 0.075053 0.826795 S\n0.728983 0.584136 0.813467 S\n0.271018 0.415865 0.186534 S\n0.165309 0.428756 0.350864 O\n0.875004 0.636081 0.064068 O\n0.124998 0.363919 0.935933 O\n0.229472 0.230171 0.500372 O\n0.400160 0.548921 0.243551 O\n0.770529 0.769830 0.499629 O\n0.834693 0.571245 0.649137 O\n0.599841 0.451080 0.756450 O\n0.409315 0.320404 0.217428 O\n0.433729 0.045925 0.237917 O\n0.622670 0.185171 0.787995 O\n0.377332 0.814829 0.212006 O\n0.846079 0.041783 0.679027 O\n0.153922 0.958217 0.320974 O\n0.858364 0.121344 0.084559 O\n0.141638 0.878657 0.915442 O\n0.566272 0.954075 0.762084 O\n0.189384 0.729367 0.518712 O\n0.590686 0.679597 0.782573 O\n0.810618 0.270634 0.481289 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Fe",
"H",
"S",
"O"
],
"chemical_system": "Fe-H-K-O-S",
"density": 2.7527338743840333,
"density_atomic": 0.086960784741695,
"volume": 436.97857733084805,
"volume_molar": 6.925122373133979,
"formula_full": "K4 Fe2 H8 S4 O20",
"formula_reduced": "K2FeH4(SO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.5608471842105263,
"spacegroup": 2
},
{
"id": "jvasp-95483",
"created_at": "2022-09-04T14:35:45.767540Z",
"updated_at": "2022-09-04T14:35:45.767563Z",
"structure_string": "Zn20 S20\n1.0\n3.841662 -0.000000 -0.000000\n-1.920831 3.326977 -0.000000\n-0.000000 -0.000000 62.775169\nZn S\n20 20\ndirect\n0.000000 0.000000 0.399952 Zn\n0.333333 0.666668 0.299986 Zn\n0.666667 0.333333 0.799986 Zn\n0.333333 0.666668 0.150042 Zn\n0.666667 0.333333 0.499996 Zn\n0.000000 0.000000 0.750006 Zn\n0.333333 0.666668 0.849970 Zn\n0.000000 0.000000 0.250006 Zn\n0.333333 0.666668 0.550094 Zn\n0.000000 0.000000 0.899952 Zn\n0.333333 0.666668 -0.000004 Zn\n0.666667 0.333333 0.349970 Zn\n0.000000 0.000000 0.100059 Zn\n0.666667 0.333333 0.949930 Zn\n0.000000 0.000000 0.600059 Zn\n0.333333 0.666668 0.700026 Zn\n0.666667 0.333333 0.650042 Zn\n0.666667 0.333333 0.200026 Zn\n0.333333 0.666668 0.449931 Zn\n0.666667 0.333333 0.050094 Zn\n0.666667 0.333333 0.987407 S\n0.666667 0.333333 0.537556 S\n0.666667 0.333333 0.387451 S\n0.333333 0.666668 0.587561 S\n0.333333 0.666668 0.187524 S\n0.000000 0.000000 0.637542 S\n0.333333 0.666668 0.037556 S\n0.333333 0.666668 0.737507 S\n0.666667 0.333333 0.687524 S\n0.666667 0.333333 0.087561 S\n0.000000 0.000000 0.287487 S\n0.333333 0.666668 0.487407 S\n0.000000 0.000000 0.787487 S\n0.333333 0.666668 0.337468 S\n0.333333 0.666668 0.887451 S\n0.666667 0.333333 0.837468 S\n0.666667 0.333333 0.237507 S\n0.000000 0.000000 0.937434 S\n0.000000 0.000000 0.137542 S\n0.000000 0.000000 0.437434 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.034698070793576,
"density_atomic": 0.04985436057782806,
"volume": 802.3370380521814,
"volume_molar": 12.079466450279282,
"formula_full": "Zn20 S20",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 5.000000000032756e-06,
"spacegroup": 186
},
{
"id": "jvasp-75795",
"created_at": "2022-09-04T14:35:45.768371Z",
"updated_at": "2022-09-04T14:35:45.768390Z",
"structure_string": "Ti2 Cu1 As1\n1.0\n0.000000 3.144121 3.144121\n3.144121 -0.000000 3.144121\n3.144121 3.144121 0.000000\nTi Cu As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"As"
],
"chemical_system": "As-Cu-Ti",
"density": 6.2562083794347,
"density_atomic": 0.0643475834458299,
"volume": 62.16239656252737,
"volume_molar": 9.358767551962,
"formula_full": "Ti2 Cu1 As1",
"formula_reduced": "Ti2CuAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.409412216666667,
"spacegroup": 216
},
{
"id": "jvasp-66848",
"created_at": "2022-09-04T14:35:45.771172Z",
"updated_at": "2022-09-04T14:35:45.771198Z",
"structure_string": "Be1 Ni1 Cl1\n1.0\n-1.445771 1.445771 5.002657\n1.445771 -1.445771 5.002657\n1.445771 1.445771 -5.002657\nBe Ni Cl\n1 1 1\ndirect\n0.013484 0.013484 0.000000 Be\n0.614117 0.614117 0.000000 Ni\n0.372400 0.372400 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Cl"
],
"chemical_system": "Be-Cl-Ni",
"density": 4.095384897168159,
"density_atomic": 0.07172350718909973,
"volume": 41.827290906041036,
"volume_molar": 8.396327781521569,
"formula_full": "Be1 Ni1 Cl1",
"formula_reduced": "BeNiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9240508558333334,
"spacegroup": 107
},
{
"id": "jvasp-14851",
"created_at": "2022-09-04T14:35:45.771836Z",
"updated_at": "2022-09-04T14:35:45.771864Z",
"structure_string": "Th2 Al2\n1.0\n4.215055 0.000000 0.000000\n0.000000 4.160098 -1.605906\n-0.000000 -0.008107 6.170313\nTh Al\n2 2\ndirect\n0.749999 0.145489 0.290980 Th\n0.250000 0.854510 0.709019 Th\n0.749999 0.429208 0.858415 Al\n0.250000 0.570792 0.141584 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 7.9545944335177206,
"density_atomic": 0.036988465461941816,
"volume": 108.14182070125837,
"volume_molar": 16.281131657641495,
"formula_full": "Th2 Al2",
"formula_reduced": "ThAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.5123742,
"spacegroup": 63
}
]
}