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=-spacegroup&page=3587",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3585",
"results": [
{
"id": "jvasp-51395",
"created_at": "2022-09-04T14:37:06.206295Z",
"updated_at": "2022-09-04T14:37:06.206315Z",
"structure_string": "Ga4 H4 O8\n1.0\n3.005526 -0.000000 0.000000\n-0.000000 4.534518 0.000000\n0.000000 0.000000 9.897281\nGa H O\n4 4 8\ndirect\n0.250000 0.444549 0.356874 Ga\n0.250000 0.055451 0.856874 Ga\n0.750001 0.555452 0.643126 Ga\n0.750001 0.944549 0.143126 Ga\n0.250000 0.093110 0.592814 H\n0.250000 0.406890 0.092814 H\n0.750001 0.906890 0.407186 H\n0.750001 0.593110 0.907186 H\n0.250000 0.809530 0.692744 O\n0.250000 0.690471 0.192744 O\n0.750001 0.190471 0.307256 O\n0.750001 0.309529 0.807256 O\n0.250000 0.303993 0.557098 O\n0.250000 0.196007 0.057098 O\n0.750001 0.696007 0.442902 O\n0.750001 0.803993 0.942902 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ga",
"H",
"O"
],
"chemical_system": "Ga-H-O",
"density": 5.05868640237187,
"density_atomic": 0.11861850944549902,
"volume": 134.88620009469457,
"volume_molar": 5.0768980221986,
"formula_full": "Ga4 H4 O8",
"formula_reduced": "GaHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.32127983125,
"spacegroup": 62
},
{
"id": "jvasp-45325",
"created_at": "2022-09-04T14:37:06.340951Z",
"updated_at": "2022-09-04T14:37:06.340980Z",
"structure_string": "In4 B4 F16\n1.0\n5.679598 -0.000000 0.000000\n0.000000 7.271174 0.000000\n0.000000 0.000000 9.001511\nIn B F\n4 4 16\ndirect\n0.250000 0.332172 0.681391 In\n0.750000 0.667827 0.318609 In\n0.750000 0.832172 0.818609 In\n0.250000 0.167827 0.181391 In\n0.250000 0.686492 0.068344 B\n0.250000 0.813507 0.568344 B\n0.750000 0.186493 0.431656 B\n0.750000 0.313507 0.931656 B\n0.546550 0.198917 0.922178 F\n0.046550 0.801083 0.077822 F\n0.250000 0.908861 0.432776 F\n0.750000 0.091139 0.567224 F\n0.750000 0.408861 0.067224 F\n0.250000 0.591139 0.932776 F\n0.250000 0.936815 0.690218 F\n0.046550 0.698916 0.577822 F\n0.750000 0.436815 0.809782 F\n0.250000 0.563184 0.190218 F\n0.953451 0.301083 0.422178 F\n0.453451 0.801083 0.077822 F\n0.953451 0.198917 0.922178 F\n0.546550 0.301083 0.422178 F\n0.750000 0.063184 0.309782 F\n0.453451 0.698916 0.577822 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"In",
"B",
"F"
],
"chemical_system": "B-F-In",
"density": 3.602556291630894,
"density_atomic": 0.06456151159902701,
"volume": 371.7385080612285,
"volume_molar": 9.327756756071304,
"formula_full": "In4 B4 F16",
"formula_reduced": "InBF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1857889472222221,
"spacegroup": 62
},
{
"id": "jvasp-10187",
"created_at": "2022-09-04T14:37:06.532611Z",
"updated_at": "2022-09-04T14:37:06.532631Z",
"structure_string": "Ba4 Cd4 O8\n1.0\n3.697014 0.000000 0.000000\n-0.000000 6.222203 0.000000\n0.000000 0.000000 12.109988\nBa Cd O\n4 4 8\ndirect\n0.250000 0.394806 0.642532 Ba\n0.749999 0.605194 0.357468 Ba\n0.250000 0.894806 0.857468 Ba\n0.749999 0.105194 0.142532 Ba\n0.749999 0.904388 0.606783 Cd\n0.749999 0.404389 0.893218 Cd\n0.250000 0.095611 0.393218 Cd\n0.250000 0.595611 0.106783 Cd\n0.250000 0.276855 0.982214 O\n0.749999 0.723144 0.017787 O\n0.250000 0.776855 0.517787 O\n0.749999 0.223144 0.482213 O\n0.250000 0.858918 0.251753 O\n0.749999 0.641082 0.751753 O\n0.250000 0.358918 0.248247 O\n0.749999 0.141082 0.748247 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"O"
],
"chemical_system": "Ba-Cd-O",
"density": 6.717592919792084,
"density_atomic": 0.057435578377191,
"volume": 278.5729760554474,
"volume_molar": 10.485035460862585,
"formula_full": "Ba4 Cd4 O8",
"formula_reduced": "BaCdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2350258749999999,
"spacegroup": 62
},
{
"id": "jvasp-45365",
"created_at": "2022-09-04T14:37:06.594076Z",
"updated_at": "2022-09-04T14:37:06.594089Z",
"structure_string": "Cd4 Se4 O12\n1.0\n5.379094 -0.000000 0.000000\n0.000000 6.321494 0.000000\n0.000000 0.000000 8.180321\nCd Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.484163 0.975060 0.750000 Se\n0.984162 0.524939 0.250000 Se\n0.015837 0.475061 0.750000 Se\n0.515837 0.024939 0.250000 Se\n0.703431 0.406777 0.750000 O\n0.203432 0.093223 0.250000 O\n0.633520 0.173332 0.086769 O\n0.133520 0.326668 0.913230 O\n0.866479 0.673332 0.413230 O\n0.133520 0.326668 0.586769 O\n0.366480 0.826668 0.913230 O\n0.866479 0.673332 0.086769 O\n0.296568 0.593222 0.250000 O\n0.633520 0.173332 0.413230 O\n0.366480 0.826668 0.586769 O\n0.796568 0.906777 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"Se",
"O"
],
"chemical_system": "Cd-O-Se",
"density": 5.715814784393871,
"density_atomic": 0.07190031382818729,
"volume": 278.16290270709976,
"volume_molar": 8.3756807715617,
"formula_full": "Cd4 Se4 O12",
"formula_reduced": "CdSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2143467233333334,
"spacegroup": 62
},
{
"id": "jvasp-18993",
"created_at": "2022-09-04T14:37:06.454255Z",
"updated_at": "2022-09-04T14:37:06.454276Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 -0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 5.644924248228103,
"density_atomic": 0.03538148252926166,
"volume": 565.2674385099419,
"volume_molar": 17.020600408757574,
"formula_full": "Sb8 Se12",
"formula_reduced": "Sb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.52104646,
"spacegroup": 62
},
{
"id": "jvasp-26279",
"created_at": "2022-09-04T14:37:06.538537Z",
"updated_at": "2022-09-04T14:37:06.538565Z",
"structure_string": "Li4 Fe4 As4 O16\n1.0\n4.915716 0.000000 0.000000\n-0.000000 6.058331 0.000000\n0.000000 0.000000 10.562130\nLi Fe As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.013686 0.750000 0.276473 Fe\n0.513686 0.250000 0.223527 Fe\n0.986315 0.250000 0.723527 Fe\n0.486315 0.750000 0.776473 Fe\n0.938460 0.750000 0.592553 As\n0.438460 0.250000 0.907447 As\n0.061541 0.250000 0.407447 As\n0.561541 0.750000 0.092553 As\n0.780389 0.971680 0.669281 O\n0.280389 0.028320 0.830719 O\n0.780389 0.528320 0.669281 O\n0.280389 0.471680 0.830719 O\n0.219612 0.028320 0.330719 O\n0.719612 0.971680 0.169281 O\n0.710302 0.750000 0.943340 O\n0.712425 0.250000 0.406685 O\n0.289699 0.250000 0.056660 O\n0.789699 0.750000 0.443340 O\n0.287574 0.750000 0.593315 O\n0.787576 0.250000 0.906685 O\n0.719612 0.528320 0.169281 O\n0.212426 0.750000 0.093315 O\n0.210301 0.250000 0.556660 O\n0.219612 0.471680 0.330719 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-Li-O",
"density": 4.259267271949581,
"density_atomic": 0.08901572660746448,
"volume": 314.5511592965196,
"volume_molar": 6.765254848231513,
"formula_full": "Li4 Fe4 As4 O16",
"formula_reduced": "LiFeAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.408117321428572,
"spacegroup": 62
},
{
"id": "jvasp-5236",
"created_at": "2022-09-04T14:37:06.565875Z",
"updated_at": "2022-09-04T14:37:06.565906Z",
"structure_string": "P4 Cl12\n1.0\n6.076355 0.000000 0.000000\n0.000000 7.786267 0.000000\n0.000000 0.000000 9.379632\nP Cl\n4 12\ndirect\n0.924045 0.988268 0.750000 P\n0.424046 0.511733 0.250000 P\n0.575953 0.488268 0.750000 P\n0.075954 0.011733 0.250000 P\n0.732334 0.904396 0.919886 Cl\n0.232334 0.595605 0.080114 Cl\n0.767665 0.404396 0.580113 Cl\n0.267666 0.095605 0.419886 Cl\n0.833826 0.200532 0.250000 Cl\n0.333826 0.299468 0.750000 Cl\n0.666173 0.700533 0.250000 Cl\n0.166174 0.799468 0.750000 Cl\n0.732334 0.904396 0.580113 Cl\n0.232334 0.595605 0.419886 Cl\n0.767665 0.404396 0.919886 Cl\n0.267666 0.095605 0.080114 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.0555356476705593,
"density_atomic": 0.036054688863674626,
"volume": 443.77029740839396,
"volume_molar": 16.702794975627576,
"formula_full": "P4 Cl12",
"formula_reduced": "PCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6504619256250002,
"spacegroup": 62
},
{
"id": "jvasp-9694",
"created_at": "2022-09-04T14:37:06.612570Z",
"updated_at": "2022-09-04T14:37:06.612593Z",
"structure_string": "Cu4 Ag4 S4\n1.0\n4.044976 0.000000 0.000000\n0.000000 6.594166 0.000000\n0.000000 0.000000 8.151316\nCu Ag S\n4 4 4\ndirect\n0.000000 0.554974 0.724676 Cu\n0.000000 0.445027 0.224675 Cu\n0.500001 0.055014 0.742638 Cu\n0.500001 0.944987 0.242638 Cu\n0.500001 0.572888 0.475249 Ag\n0.500001 0.427113 0.975249 Ag\n0.000000 0.072883 0.991900 Ag\n0.000000 0.927118 0.491899 Ag\n0.500001 0.299406 0.262831 S\n0.500001 0.700595 0.762831 S\n0.000000 0.799421 0.204308 S\n0.000000 0.200579 0.704308 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 6.216208254364527,
"density_atomic": 0.05519219819155042,
"volume": 217.4220341496948,
"volume_molar": 10.911217449791575,
"formula_full": "Cu4 Ag4 S4",
"formula_reduced": "CuAgS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3109592366666667,
"spacegroup": 62
},
{
"id": "jvasp-42856",
"created_at": "2022-09-04T14:37:06.741974Z",
"updated_at": "2022-09-04T14:37:06.741990Z",
"structure_string": "Pr4 B4 O12\n1.0\n5.101060 0.000000 0.000000\n-0.000000 5.790404 0.000000\n0.000000 0.000000 8.195594\nPr B O\n4 4 12\ndirect\n0.750000 0.757904 0.584724 Pr\n0.250000 0.742095 0.084724 Pr\n0.750000 0.257904 0.915276 Pr\n0.250000 0.242095 0.415276 Pr\n0.750000 0.916060 0.237680 B\n0.250000 0.583939 0.737679 B\n0.750000 0.416060 0.262320 B\n0.250000 0.083940 0.762320 B\n0.250000 0.600031 0.570401 O\n0.750000 0.899968 0.070401 O\n0.516717 0.912076 0.323034 O\n0.483283 0.587923 0.823034 O\n0.983283 0.412076 0.176966 O\n0.016717 0.587923 0.823034 O\n0.483283 0.087924 0.676965 O\n0.516717 0.412076 0.176966 O\n0.750000 0.399969 0.429599 O\n0.983283 0.912076 0.323034 O\n0.016717 0.087924 0.676965 O\n0.250000 0.100031 0.929598 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"B",
"O"
],
"chemical_system": "B-O-Pr",
"density": 5.479918038815544,
"density_atomic": 0.08261906242366314,
"volume": 242.07488457617438,
"volume_molar": 7.289045146892375,
"formula_full": "Pr4 B4 O12",
"formula_reduced": "PrBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2041305866666665,
"spacegroup": 62
},
{
"id": "jvasp-32942",
"created_at": "2022-09-04T14:37:06.726202Z",
"updated_at": "2022-09-04T14:37:06.726226Z",
"structure_string": "Bi4 Se4 Cl4\n1.0\n4.233089 0.000000 0.000000\n0.000000 8.347894 0.000000\n0.000000 0.000000 9.252916\nBi Se Cl\n4 4 4\ndirect\n0.250000 0.187453 0.094334 Bi\n0.750000 0.312546 0.594335 Bi\n0.750000 0.812546 0.905666 Bi\n0.250000 0.687453 0.405666 Bi\n0.250000 0.530656 0.671818 Se\n0.250000 0.030656 0.828183 Se\n0.750000 0.469344 0.328183 Se\n0.750000 0.969343 0.171818 Se\n0.750000 0.350852 0.933977 Cl\n0.750000 0.850852 0.566023 Cl\n0.250000 0.649147 0.066023 Cl\n0.250000 0.149147 0.433977 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Se",
"Cl"
],
"chemical_system": "Bi-Cl-Se",
"density": 6.569424051717926,
"density_atomic": 0.03670018902542226,
"volume": 326.973792742255,
"volume_molar": 16.409018372707717,
"formula_full": "Bi4 Se4 Cl4",
"formula_reduced": "BiSeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4781605780555555,
"spacegroup": 62
},
{
"id": "jvasp-8440",
"created_at": "2022-09-04T14:37:06.759594Z",
"updated_at": "2022-09-04T14:37:06.759619Z",
"structure_string": "Cr4 As4\n1.0\n3.603705 0.000000 0.000000\n-0.000000 5.671120 0.000000\n0.000000 0.000000 6.282399\nCr As\n4 4\ndirect\n0.250000 0.501188 0.722357 Cr\n0.749999 0.498812 0.277643 Cr\n0.250000 0.001188 0.777643 Cr\n0.749999 0.998812 0.222357 Cr\n0.250000 0.721846 0.081805 As\n0.749999 0.278154 0.918195 As\n0.250000 0.221846 0.418195 As\n0.749999 0.778154 0.581805 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"As"
],
"chemical_system": "As-Cr",
"density": 6.565800722343769,
"density_atomic": 0.062308371749138364,
"volume": 128.39366164484355,
"volume_molar": 9.665058788963261,
"formula_full": "Cr4 As4",
"formula_reduced": "CrAs",
"formula_anonymous": "AB",
"energy_above_hull": 2.2936795750000005,
"spacegroup": 62
},
{
"id": "jvasp-13124",
"created_at": "2022-09-04T14:37:06.980810Z",
"updated_at": "2022-09-04T14:37:06.980840Z",
"structure_string": "Sr8 Pb4\n1.0\n5.429354 -0.000000 0.000000\n-0.000000 8.346869 0.000000\n0.000000 0.000000 10.130241\nSr Pb\n8 4\ndirect\n0.250000 0.480081 0.184039 Sr\n0.749999 0.519919 0.815961 Sr\n0.250000 0.980081 0.315961 Sr\n0.749999 0.019919 0.684039 Sr\n0.749999 0.158990 0.074708 Sr\n0.250000 0.841010 0.925291 Sr\n0.749999 0.658990 0.425292 Sr\n0.250000 0.341010 0.574708 Sr\n0.250000 0.751287 0.604457 Pb\n0.749999 0.248713 0.395543 Pb\n0.250000 0.251287 0.895543 Pb\n0.749999 0.748713 0.104457 Pb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Pb"
],
"chemical_system": "Pb-Sr",
"density": 5.533257282905205,
"density_atomic": 0.02613904473679454,
"volume": 459.08334144699023,
"volume_molar": 23.038870856374313,
"formula_full": "Sr8 Pb4",
"formula_reduced": "Sr2Pb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}