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=id&page=4448",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4446",
"results": [
{
"id": "jvasp-94890",
"created_at": "2022-09-04T14:36:08.914460Z",
"updated_at": "2022-09-04T14:36:08.914486Z",
"structure_string": "Sm2 Cr2 C3\n1.0\n0.000000 -3.487174 -0.000000\n-4.979662 1.743586 1.387751\n-0.031606 -0.000000 -5.695394\nSm Cr C\n2 2 3\ndirect\n0.398328 0.796659 0.181830 Sm\n0.601670 0.203341 0.818170 Sm\n0.159066 0.318135 0.396338 Cr\n0.840932 0.681866 0.603661 Cr\n0.294734 0.589471 0.717886 C\n0.705264 0.410530 0.282114 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sm",
"Cr",
"C"
],
"chemical_system": "C-Cr-Sm",
"density": 7.388689491101202,
"density_atomic": 0.07066911520785335,
"volume": 99.05317166362514,
"volume_molar": 8.521602035468485,
"formula_full": "Sm2 Cr2 C3",
"formula_reduced": "Sm2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.962178935714286,
"spacegroup": 12
},
{
"id": "jvasp-94891",
"created_at": "2022-09-04T14:36:11.423655Z",
"updated_at": "2022-09-04T14:36:11.423676Z",
"structure_string": "U2 Mo2 C3\n1.0\n-0.000000 3.162725 -0.000000\n0.193082 -0.000000 5.595977\n5.517041 -1.581363 -1.762454\nU Mo C\n2 2 3\ndirect\n0.604726 0.830569 0.209449 U\n0.395276 0.169432 0.790551 U\n0.845030 0.629320 0.690056 Mo\n0.154972 0.370681 0.309943 Mo\n-0.000000 0.500000 -0.000000 C\n0.254106 0.761399 0.508210 C\n0.745896 0.238602 0.491789 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"U",
"Mo",
"C"
],
"chemical_system": "C-Mo-U",
"density": 11.841285284730883,
"density_atomic": 0.07090774667194084,
"volume": 98.71982016839345,
"volume_molar": 8.492923612227889,
"formula_full": "U2 Mo2 C3",
"formula_reduced": "U2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 6.819416257142857,
"spacegroup": 12
},
{
"id": "jvasp-94893",
"created_at": "2022-09-04T14:36:13.803823Z",
"updated_at": "2022-09-04T14:36:13.803835Z",
"structure_string": "Ga2 Fe1 Se4\n1.0\n5.478438 0.000000 0.000000\n0.000000 5.478438 -0.000000\n0.000000 0.000000 5.668769\nGa Fe Se\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Fe\n0.737454 0.737454 0.233322 Se\n0.262547 0.262547 0.233322 Se\n0.262547 0.737454 0.766679 Se\n0.737454 0.262547 0.766679 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"Se"
],
"chemical_system": "Fe-Ga-Se",
"density": 4.988604302510342,
"density_atomic": 0.041142983151537596,
"volume": 170.13836780424114,
"volume_molar": 14.63710285133989,
"formula_full": "Ga2 Fe1 Se4",
"formula_reduced": "Ga2FeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.260813373809524,
"spacegroup": 111
},
{
"id": "jvasp-94894",
"created_at": "2022-09-04T14:36:15.206776Z",
"updated_at": "2022-09-04T14:36:15.206794Z",
"structure_string": "Sn2 Rh3 S2\n1.0\n2.867166 1.655358 4.486672\n-2.867166 1.655358 4.486672\n-0.000000 -3.310718 4.486672\nSn Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n-0.000000 -0.000000 0.500000 Rh\n-0.000000 0.500000 -0.000000 Rh\n0.500000 -0.000000 -0.000000 Rh\n0.712359 0.712359 0.712358 S\n0.287641 0.287641 0.287641 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sn",
"Rh",
"S"
],
"chemical_system": "Rh-S-Sn",
"density": 7.931368190569425,
"density_atomic": 0.054787000393518595,
"volume": 127.76753517661305,
"volume_molar": 10.991915448454506,
"formula_full": "Sn2 Rh3 S2",
"formula_reduced": "Sn2Rh3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.095617485714286,
"spacegroup": 166
},
{
"id": "jvasp-94895",
"created_at": "2022-09-04T14:36:17.957723Z",
"updated_at": "2022-09-04T14:36:17.957750Z",
"structure_string": "Ti1 Cr2 S4\n1.0\n-0.000000 3.447916 0.000000\n-0.075138 0.000000 6.089068\n5.654041 -1.723959 -2.979297\nTi Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.741456 0.729248 0.482912 Cr\n0.258544 0.270752 0.517088 Cr\n0.632387 0.967615 0.264774 S\n0.367614 0.032385 0.735226 S\n0.872457 0.546652 0.744913 S\n0.127543 0.453348 0.255086 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"S"
],
"chemical_system": "Cr-S-Ti",
"density": 3.9441973102323287,
"density_atomic": 0.05935600978779242,
"volume": 117.93245578714203,
"volume_molar": 10.145797841752087,
"formula_full": "Ti1 Cr2 S4",
"formula_reduced": "Ti(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.277340447619048,
"spacegroup": 12
},
{
"id": "jvasp-94896",
"created_at": "2022-09-04T14:36:19.576199Z",
"updated_at": "2022-09-04T14:36:19.576225Z",
"structure_string": "Ca1 Cd2 Au4\n1.0\n-0.000000 0.000000 -5.596504\n-3.601473 3.601473 -2.798252\n3.601473 3.601473 -2.798252\nCa Cd Au\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.500000 0.500000 Cd\n0.749999 0.500000 0.500000 Cd\n0.697226 0.000000 0.605547 Au\n0.302774 0.000000 0.394452 Au\n0.697226 0.605547 0.000000 Au\n0.302774 0.394452 0.000000 Au\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 12.041315099223192,
"density_atomic": 0.048215969013113064,
"volume": 145.18011653143887,
"volume_molar": 12.48992996150754,
"formula_full": "Ca1 Cd2 Au4",
"formula_reduced": "Ca(CdAu2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-94897",
"created_at": "2022-09-04T14:36:20.942603Z",
"updated_at": "2022-09-04T14:36:20.942631Z",
"structure_string": "U1 Ga5 Pt1\n1.0\n4.356318 0.000000 0.000000\n0.000000 4.356318 0.000000\n0.000000 0.000000 6.871920\nU Ga Pt\n1 5 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.706341 Ga\n0.000000 0.500000 0.706341 Ga\n0.500000 0.000000 0.293659 Ga\n0.000000 0.500000 0.293659 Ga\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"U",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-U",
"density": 9.953767014049122,
"density_atomic": 0.05367608053049379,
"volume": 130.41190658515475,
"volume_molar": 11.219412260511042,
"formula_full": "U1 Ga5 Pt1",
"formula_reduced": "UGa5Pt",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.9836384321428566,
"spacegroup": 123
},
{
"id": "jvasp-94898",
"created_at": "2022-09-04T14:36:30.963436Z",
"updated_at": "2022-09-04T14:36:30.963463Z",
"structure_string": "V2 Cr1 S4\n1.0\n0.000000 3.173111 0.000000\n0.028116 0.000000 5.830520\n5.568125 -1.586556 -2.696496\nV Cr S\n2 1 4\ndirect\n0.740760 0.684535 0.481524 V\n0.259238 0.315464 0.518476 V\n0.000000 0.000000 0.000000 Cr\n0.636476 0.973968 0.272953 S\n0.363522 0.026032 0.727047 S\n0.895059 0.562665 0.790121 S\n0.104940 0.437334 0.209879 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Cr",
"S"
],
"chemical_system": "Cr-S-V",
"density": 4.537303512955522,
"density_atomic": 0.0677927883966183,
"volume": 103.25582064934181,
"volume_molar": 8.883158374852156,
"formula_full": "V2 Cr1 S4",
"formula_reduced": "V2CrS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.3015165428571427,
"spacegroup": 12
},
{
"id": "jvasp-94899",
"created_at": "2022-09-04T14:36:31.166581Z",
"updated_at": "2022-09-04T14:36:31.166610Z",
"structure_string": "Co1 Si2 Se4\n1.0\n0.000000 3.612856 0.000000\n0.051102 0.000000 6.265064\n5.967215 -1.806428 -2.898214\nCo Si Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.723402 0.705447 0.446803 Si\n0.276597 0.294553 0.553196 Si\n0.617789 0.973270 0.235576 Se\n0.382211 0.026729 0.764422 Se\n0.886781 0.566723 0.773561 Se\n0.113218 0.433276 0.226438 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Co",
"Si",
"Se"
],
"chemical_system": "Co-Se-Si",
"density": 5.277219744769488,
"density_atomic": 0.05162179315306702,
"volume": 135.6016436554976,
"volume_molar": 11.665888362582391,
"formula_full": "Co1 Si2 Se4",
"formula_reduced": "Co(SiSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4503302238095235,
"spacegroup": 12
},
{
"id": "jvasp-949",
"created_at": "2022-09-04T14:37:47.113068Z",
"updated_at": "2022-09-04T14:37:47.113085Z",
"structure_string": "O8\n1.0\n3.904091 -0.090798 1.440142\n1.363982 4.664962 1.663912\n-0.026867 -0.053990 5.136855\nO\n8\ndirect\n0.837157 0.283635 0.779030 O\n0.162842 0.220970 0.716365 O\n0.162842 0.716364 0.220971 O\n0.837157 0.779029 0.283636 O\n0.820322 0.218165 0.218165 O\n0.179677 0.781834 0.781835 O\n0.146272 0.155382 0.155382 O\n0.853727 0.844617 0.844619 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.2462577873151153,
"density_atomic": 0.0845486742198614,
"volume": 94.62005257701266,
"volume_molar": 7.122690941717137,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy_above_hull": 0.0117799999999999,
"spacegroup": 12
},
{
"id": "jvasp-9490",
"created_at": "2022-09-04T14:38:28.821957Z",
"updated_at": "2022-09-04T14:38:28.821984Z",
"structure_string": "Mg2 Fe2 F10\n1.0\n4.988990 -0.477777 1.266405\n-1.694842 4.863860 1.513334\n0.754158 -0.606519 7.460903\nMg Fe F\n2 2 10\ndirect\n0.697221 0.475133 0.769453 Mg\n0.306841 0.527929 0.228766 Mg\n0.002029 0.001538 -0.000894 Fe\n0.502030 0.001512 0.499108 Fe\n0.624841 0.864779 0.258296 F\n0.379220 0.138254 0.739938 F\n0.465875 0.295203 0.343281 F\n0.158410 0.780906 0.121369 F\n0.256703 0.317030 0.038667 F\n0.902260 0.264752 0.438672 F\n0.747306 0.686040 -0.040440 F\n0.101787 0.738300 0.559551 F\n0.845567 0.222125 0.876885 F\n0.538140 0.707800 0.654943 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"F"
],
"chemical_system": "F-Fe-Mg",
"density": 3.3106572712452733,
"density_atomic": 0.0796843109977248,
"volume": 175.6933055542105,
"volume_molar": 7.557498690265324,
"formula_full": "Mg2 Fe2 F10",
"formula_reduced": "MgFeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-94900",
"created_at": "2022-09-04T14:36:32.179791Z",
"updated_at": "2022-09-04T14:36:32.179819Z",
"structure_string": "Ag1 P1 Pd5\n1.0\n3.961871 -0.000000 0.000000\n-0.000000 3.961871 0.000000\n0.000000 -0.000000 6.975388\nAg P Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.702153 Pd\n0.000000 0.500000 0.702153 Pd\n0.500000 0.000000 0.297848 Pd\n0.000000 0.500000 0.297848 Pd\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ag",
"P",
"Pd"
],
"chemical_system": "Ag-P-Pd",
"density": 10.17571701091053,
"density_atomic": 0.06393357781423813,
"volume": 109.48863241063738,
"volume_molar": 9.419370799953663,
"formula_full": "Ag1 P1 Pd5",
"formula_reduced": "AgPPd5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.7589844657142852,
"spacegroup": 123
}
]
}