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=formula_anonymous&page=684",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=682",
"results": [
{
"id": "jvasp-60703",
"created_at": "2022-09-04T14:35:50.357945Z",
"updated_at": "2022-09-04T14:35:50.357971Z",
"structure_string": "Hg8 I16\n1.0\n8.443064 -0.000000 -2.823481\n-0.944212 8.390101 -2.823481\n-0.038137 -0.042670 13.921361\nHg I\n8 16\ndirect\n0.185319 0.689157 0.378315 Hg\n0.189157 0.685319 0.878315 Hg\n0.692995 0.689157 0.378315 Hg\n0.307004 0.310843 0.621685 Hg\n0.810843 0.314681 0.121685 Hg\n0.189157 0.192996 0.878315 Hg\n0.814680 0.310843 0.621685 Hg\n0.810843 0.807004 0.121685 Hg\n0.489298 0.239299 0.478598 I\n0.609572 0.359572 0.250000 I\n0.738159 0.488159 0.976318 I\n0.739298 0.989299 0.978598 I\n0.140428 0.890428 0.250000 I\n0.609572 0.890428 0.250000 I\n0.260701 0.010701 0.021402 I\n0.988159 0.238159 0.476318 I\n0.140428 0.359572 0.250000 I\n0.390427 0.640428 0.750000 I\n0.261841 0.511841 0.023682 I\n0.390427 0.109572 0.750000 I\n0.011841 0.761841 0.523682 I\n0.510701 0.760701 0.521402 I\n0.859572 0.109572 0.750000 I\n0.859572 0.640428 0.750000 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Hg",
"I"
],
"chemical_system": "Hg-I",
"density": 6.133724676968905,
"density_atomic": 0.024387041968379576,
"volume": 984.1291957884266,
"volume_molar": 24.694018929431266,
"formula_full": "Hg8 I16",
"formula_reduced": "HgI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0003133333333333,
"spacegroup": 141
},
{
"id": "jvasp-2139",
"created_at": "2022-09-04T14:35:58.480253Z",
"updated_at": "2022-09-04T14:35:58.480273Z",
"structure_string": "P4 Ru2\n1.0\n2.922643 0.000000 0.000000\n0.000000 5.156065 0.000000\n0.000000 0.000000 5.947141\nP Ru\n4 2\ndirect\n0.499999 0.337384 0.872942 P\n0.499999 0.662615 0.127058 P\n0.000000 0.162616 0.372942 P\n0.000000 0.837384 0.627058 P\n0.499999 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"P",
"Ru"
],
"chemical_system": "P-Ru",
"density": 6.041030064794572,
"density_atomic": 0.06694973492203875,
"volume": 89.61947357949731,
"volume_molar": 8.995018078880564,
"formula_full": "P4 Ru2",
"formula_reduced": "P2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8932405,
"spacegroup": 58
},
{
"id": "jvasp-98532",
"created_at": "2022-09-04T14:35:48.921659Z",
"updated_at": "2022-09-04T14:35:48.921682Z",
"structure_string": "Si24 O48\n1.0\n7.825457 -0.000000 2.664989\n2.589076 11.837656 5.219259\n-0.126374 -0.075677 13.192892\nSi O\n24 48\ndirect\n0.752266 0.623100 0.494138 Si\n0.866176 0.378432 0.269887 Si\n0.485507 0.769887 0.878431 Si\n0.698033 0.235498 0.735497 Si\n0.752266 0.994138 0.123099 Si\n0.130498 0.994138 0.123099 Si\n0.060662 0.377869 0.877869 Si\n0.485507 0.378432 0.269887 Si\n0.133825 0.230113 0.121568 Si\n0.869504 0.376901 0.505862 Si\n0.316399 0.622131 0.122131 Si\n0.866176 0.769887 0.878431 Si\n0.869504 0.005862 0.876900 Si\n0.669028 0.764503 0.264502 Si\n0.133825 0.621568 0.730113 Si\n0.514494 0.621568 0.730113 Si\n0.939340 0.622131 0.122131 Si\n0.330973 0.235498 0.735497 Si\n0.130498 0.623100 0.494138 Si\n0.247735 0.005862 0.876900 Si\n0.683602 0.377869 0.877869 Si\n0.301968 0.764503 0.264502 Si\n0.514494 0.230113 0.121568 Si\n0.247735 0.376901 0.505862 Si\n0.666307 0.640796 0.615879 O\n0.228635 0.900035 0.220286 O\n0.145278 0.297846 0.797846 O\n0.044241 0.368935 0.542585 O\n0.261084 0.000000 -0.000000 O\n0.738917 0.000000 -0.000000 O\n0.848914 0.401087 0.901087 O\n0.876042 0.682516 0.004207 O\n0.240970 0.702154 0.202154 O\n0.738917 0.500000 0.500000 O\n0.123959 0.317484 0.995793 O\n0.331951 0.198060 0.138038 O\n0.044241 0.042585 0.868934 O\n0.485712 0.264288 0.764288 O\n0.922982 0.359204 0.384121 O\n0.666306 0.115879 0.140796 O\n0.077019 0.115879 0.140796 O\n0.000001 0.714321 0.785679 O\n0.854723 0.702154 0.202154 O\n0.437236 0.682516 0.004207 O\n0.651045 0.900035 0.220286 O\n0.331952 0.638038 0.698060 O\n0.261084 0.500000 0.500000 O\n0.668050 0.801940 0.861961 O\n0.651045 0.720286 0.400035 O\n0.771366 0.279714 0.599965 O\n0.228635 0.720286 0.400035 O\n0.500000 0.285679 0.214321 O\n0.077020 0.640796 0.615879 O\n0.514289 0.735712 0.235711 O\n0.151088 0.598913 0.098913 O\n0.876042 0.504207 0.182516 O\n0.348957 0.099965 0.779714 O\n0.668050 0.361962 0.301940 O\n0.333695 0.359204 0.384121 O\n0.123959 0.495793 0.817484 O\n0.437236 0.504207 0.182516 O\n0.955761 0.631066 0.457414 O\n0.348957 0.279714 0.599965 O\n0.333695 0.884121 0.859203 O\n0.955761 0.957415 0.131065 O\n0.771366 0.099965 0.779714 O\n0.500001 0.714321 0.785679 O\n0.000000 0.285679 0.214321 O\n0.922982 0.884121 0.859203 O\n0.562765 0.495793 0.817484 O\n0.759032 0.297846 0.797846 O\n0.562765 0.317484 0.995793 O\n",
"nsites": 72,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9488687194555812,
"density_atomic": 0.058599476512391564,
"volume": 1228.679918066755,
"volume_molar": 10.276782521643423,
"formula_full": "Si24 O48",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3956085333333337,
"spacegroup": 74
},
{
"id": "jvasp-93394",
"created_at": "2022-09-04T14:36:05.239618Z",
"updated_at": "2022-09-04T14:36:05.239652Z",
"structure_string": "Ce4 Mg2\n1.0\n3.118233 0.000000 0.000000\n-1.559117 2.700470 -0.000000\n-0.000000 -0.000000 18.043217\nCe Mg\n4 2\ndirect\n0.666666 0.333333 0.500000 Ce\n0.000000 0.000000 0.329255 Ce\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.670745 Ce\n0.666666 0.333333 0.164731 Mg\n0.666666 0.333333 0.835269 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.656673649265259,
"density_atomic": 0.039490202231365915,
"volume": 151.93642121271222,
"volume_molar": 15.249708585226715,
"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2660486428571431,
"spacegroup": 187
},
{
"id": "jvasp-93689",
"created_at": "2022-09-04T14:35:58.487988Z",
"updated_at": "2022-09-04T14:35:58.488024Z",
"structure_string": "Tb2 Ni4\n1.0\n-3.581892 -3.581892 0.000000\n-3.581892 0.000000 -3.581892\n-0.000000 -3.581892 -3.581892\nTb Ni\n2 4\ndirect\n0.749999 0.749999 0.749999 Tb\n0.000000 0.000000 0.000000 Tb\n0.874999 0.375000 0.375000 Ni\n0.375000 0.874999 0.375000 Ni\n0.375000 0.375000 0.874999 Ni\n0.375000 0.375000 0.375000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Ni"
],
"chemical_system": "Ni-Tb",
"density": 9.984161987261842,
"density_atomic": 0.06528054833496509,
"volume": 91.91099267752816,
"volume_molar": 9.225015588256731,
"formula_full": "Tb2 Ni4",
"formula_reduced": "TbNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8736077333333334,
"spacegroup": 227
},
{
"id": "jvasp-93459",
"created_at": "2022-09-04T14:36:02.600576Z",
"updated_at": "2022-09-04T14:36:02.600600Z",
"structure_string": "Mn2 O4\n1.0\n2.848228 0.000000 -0.000001\n-0.000001 5.867008 -0.000005\n-0.000001 -0.000003 3.779488\nMn O\n2 4\ndirect\n1.000000 0.960415 1.000002 Mn\n0.500001 0.289586 0.500002 Mn\n0.000000 0.041034 0.500000 O\n0.500001 0.208967 1.000001 O\n1.000001 0.477118 0.500001 O\n0.500001 0.772883 1.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.571498332612588,
"density_atomic": 0.09500070925950495,
"volume": 63.15742321049768,
"volume_molar": 6.339048210208469,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.126221413793104,
"spacegroup": 59
},
{
"id": "jvasp-63844",
"created_at": "2022-09-04T14:35:48.936910Z",
"updated_at": "2022-09-04T14:35:48.936936Z",
"structure_string": "U1 B2\n1.0\n1.547419 -2.680077 0.000000\n1.547419 2.680077 0.000000\n0.000000 0.000000 4.041248\nU B\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"B"
],
"chemical_system": "B-U",
"density": 12.862880986675576,
"density_atomic": 0.08949948980458869,
"volume": 33.519744152174916,
"volume_molar": 6.728687250786141,
"formula_full": "U1 B2",
"formula_reduced": "UB2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.2216003888888896,
"spacegroup": 191
},
{
"id": "jvasp-95072",
"created_at": "2022-09-04T14:35:58.848811Z",
"updated_at": "2022-09-04T14:35:58.848848Z",
"structure_string": "Zr4 Rh2\n1.0\n5.195146 -0.004394 -1.461857\n-2.981605 4.254452 -1.461768\n0.002229 0.004394 5.396904\nZr Rh\n4 2\ndirect\n0.163183 0.336817 0.499999 Zr\n0.836817 0.663182 0.499999 Zr\n0.336818 0.836818 0.173634 Zr\n0.663182 0.163182 0.826364 Zr\n0.249999 0.249999 0.999998 Rh\n0.750001 0.750000 0.000000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 7.944963442613825,
"density_atomic": 0.05030149081859071,
"volume": 119.28075892697967,
"volume_molar": 11.972092003631635,
"formula_full": "Zr4 Rh2",
"formula_reduced": "Zr2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 3.212440666666668,
"spacegroup": 140
},
{
"id": "jvasp-86689",
"created_at": "2022-09-04T14:35:51.405079Z",
"updated_at": "2022-09-04T14:35:51.405094Z",
"structure_string": "Y4 Ru8\n1.0\n5.259584 0.000000 -0.000000\n-2.629792 4.554934 0.000000\n0.000000 0.000000 8.931593\nY Ru\n4 8\ndirect\n0.333333 0.666666 0.432857 Y\n0.666667 0.333333 0.567143 Y\n0.666667 0.333333 0.932857 Y\n0.333333 0.666666 0.067143 Y\n0.170523 0.341046 0.750000 Ru\n0.170523 0.829476 0.750000 Ru\n0.341046 0.170523 0.250000 Ru\n0.829477 0.658953 0.250000 Ru\n0.658953 0.829476 0.750000 Ru\n0.000000 0.000000 0.000000 Ru\n0.829477 0.170523 0.250000 Ru\n0.000000 0.000000 0.500000 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"Ru"
],
"chemical_system": "Ru-Y",
"density": 9.034582564628812,
"density_atomic": 0.05608139878734424,
"volume": 213.9746914213561,
"volume_molar": 10.738214256808092,
"formula_full": "Y4 Ru8",
"formula_reduced": "YRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4046221500000007,
"spacegroup": 194
},
{
"id": "jvasp-93746",
"created_at": "2022-09-04T14:35:50.705092Z",
"updated_at": "2022-09-04T14:35:50.705122Z",
"structure_string": "Nb2 S4\n1.0\n-1.680078 -2.909979 0.000000\n-1.680054 2.909965 0.000000\n0.000000 -0.000000 -13.162763\nNb S\n2 4\ndirect\n0.666691 0.333330 0.250000 Nb\n0.333359 0.666671 0.750000 Nb\n0.000010 -0.000005 0.130568 S\n0.000010 -0.000005 0.369432 S\n0.000015 0.000005 0.630567 S\n0.000015 0.000005 0.869432 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nb",
"S"
],
"chemical_system": "Nb-S",
"density": 4.052165343938163,
"density_atomic": 0.04661857989675224,
"volume": 128.7040491857196,
"volume_molar": 12.917898342972782,
"formula_full": "Nb2 S4",
"formula_reduced": "NbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.384136466666667,
"spacegroup": 194
},
{
"id": "jvasp-93489",
"created_at": "2022-09-04T14:35:57.907769Z",
"updated_at": "2022-09-04T14:35:57.907787Z",
"structure_string": "I2 Cl4\n1.0\n7.532630 -0.000000 0.000000\n-0.000000 7.532630 0.000000\n0.000000 0.000000 4.378504\nI Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 I\n0.500001 0.500001 0.500000 I\n0.347347 0.347347 0.000000 Cl\n0.652651 0.652651 0.000000 Cl\n0.847348 0.152651 0.500000 Cl\n0.152651 0.847348 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"I",
"Cl"
],
"chemical_system": "Cl-I",
"density": 2.644291603820656,
"density_atomic": 0.024150839317348433,
"volume": 248.43857065000554,
"volume_molar": 24.93553404445897,
"formula_full": "I2 Cl4",
"formula_reduced": "ICl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0966500375,
"spacegroup": 136
},
{
"id": "jvasp-589",
"created_at": "2022-09-04T14:35:56.379367Z",
"updated_at": "2022-09-04T14:35:56.379394Z",
"structure_string": "Ta1 Se2\n1.0\n1.753552 -3.037240 0.000000\n1.753552 3.037240 0.000000\n-0.000000 -0.000000 6.334270\nTa Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.666666 0.333332 0.739293 Se\n0.333332 0.666666 0.260707 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 8.339791175761157,
"density_atomic": 0.04446281222061742,
"volume": 67.47211546391794,
"volume_molar": 13.544219223289552,
"formula_full": "Ta1 Se2",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.541538644444444,
"spacegroup": 164
}
]
}