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=volume_molar&page=1299",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1297",
"results": [
{
"id": "jvasp-34413",
"created_at": "2022-09-04T14:38:34.612157Z",
"updated_at": "2022-09-04T14:38:34.612184Z",
"structure_string": "Ta4 O10\n1.0\n3.698257 0.000000 0.000000\n-0.000000 6.493162 0.000000\n0.000000 0.000000 7.781408\nTa O\n4 10\ndirect\n0.500000 0.500000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.750000 O\n-0.000001 0.320315 0.000000 O\n0.000000 0.000000 0.250000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.750000 O\n0.000001 0.679685 0.000000 O\n0.000001 0.320315 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.250000 O\n-0.000001 0.679685 0.500000 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.853883696950045,
"density_atomic": 0.0749232352357008,
"volume": 186.85792139057315,
"volume_molar": 8.037747890964617,
"formula_full": "Ta4 O10",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.7660594142857136,
"spacegroup": 47
},
{
"id": "jvasp-99561",
"created_at": "2022-09-04T14:36:57.436760Z",
"updated_at": "2022-09-04T14:36:57.436786Z",
"structure_string": "Cu6 As2\n1.0\n4.282755 0.000000 0.000000\n0.000000 4.715583 0.000000\n-0.000000 -0.000000 5.287125\nCu As\n6 2\ndirect\n-0.000000 0.995555 0.500000 Cu\n0.499999 0.337444 -0.000000 Cu\n-0.000000 0.513848 0.251832 Cu\n-0.000000 0.513848 0.748168 Cu\n0.499999 0.819151 0.248168 Cu\n0.499999 0.819151 0.751833 Cu\n-0.000000 0.997610 -0.000000 As\n0.499999 0.335389 0.500000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"As"
],
"chemical_system": "As-Cu",
"density": 8.25967380951372,
"density_atomic": 0.07492241791261389,
"volume": 106.77711989128323,
"volume_molar": 8.037835574158793,
"formula_full": "Cu6 As2",
"formula_reduced": "Cu3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.282250775,
"spacegroup": 59
},
{
"id": "jvasp-67849",
"created_at": "2022-09-04T14:36:05.848470Z",
"updated_at": "2022-09-04T14:36:05.848496Z",
"structure_string": "Be1 Mo1 Ru2\n1.0\n3.052425 0.000000 0.000000\n0.000000 3.052425 0.000000\n0.000000 0.000000 5.730245\nBe Mo Ru\n1 1 2\ndirect\n0.000000 0.000000 0.467799 Be\n0.500001 0.500001 0.734811 Mo\n0.000000 0.000000 0.980410 Ru\n0.500001 0.500001 0.316978 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Ru"
],
"chemical_system": "Be-Mo-Ru",
"density": 9.551127951305975,
"density_atomic": 0.07491983232502102,
"volume": 53.3904024590845,
"volume_molar": 8.038112971041425,
"formula_full": "Be1 Mo1 Ru2",
"formula_reduced": "BeMoRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.20769325,
"spacegroup": 99
},
{
"id": "jvasp-11045",
"created_at": "2022-09-04T14:37:19.228838Z",
"updated_at": "2022-09-04T14:37:19.228864Z",
"structure_string": "Sr2 Y1 Tl1 Co2 O7\n1.0\n3.772781 -0.000000 -0.000000\n-0.000000 3.772781 -0.000000\n-0.000000 0.000000 12.190734\nSr Y Tl Co O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.794484 Sr\n0.500000 0.500000 0.205516 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.638294 Co\n0.000000 0.000000 0.361706 Co\n0.500000 0.000000 0.618878 O\n0.000000 0.500000 0.618878 O\n0.500000 0.000000 0.381122 O\n0.000000 0.500000 0.381122 O\n0.000000 0.000000 0.805511 O\n0.000000 0.000000 0.194489 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Tl",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Tl-Y",
"density": 6.683360618695522,
"density_atomic": 0.07491871238322374,
"volume": 173.5214018829165,
"volume_molar": 8.038233130857325,
"formula_full": "Sr2 Y1 Tl1 Co2 O7",
"formula_reduced": "Sr2YTlCo2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.157068997692308,
"spacegroup": 123
},
{
"id": "jvasp-116992",
"created_at": "2022-09-04T14:38:46.961899Z",
"updated_at": "2022-09-04T14:38:46.961919Z",
"structure_string": "Zr2 Ta2 Fe8\n1.0\n4.810475 -0.002118 -0.000020\n2.406952 4.164887 0.000009\n0.000030 -0.000001 7.992899\nZr Ta Fe\n2 2 8\ndirect\n0.666662 0.666688 0.069986 Zr\n0.333350 0.333308 0.930017 Zr\n0.333338 0.333320 0.558009 Ta\n0.666667 0.666672 0.441988 Ta\n0.000004 -0.000004 0.499999 Fe\n0.000007 -0.000002 0.000001 Fe\n0.831408 0.337202 0.742764 Fe\n0.337187 0.831400 0.742771 Fe\n0.831411 0.831411 0.742775 Fe\n0.168602 0.662793 0.257237 Fe\n0.662823 0.168594 0.257229 Fe\n0.168598 0.168583 0.257226 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Fe"
],
"chemical_system": "Fe-Ta-Zr",
"density": 10.274536023418856,
"density_atomic": 0.07491611437103407,
"volume": 160.17915639041388,
"volume_molar": 8.038511888342715,
"formula_full": "Zr2 Ta2 Fe8",
"formula_reduced": "ZrTaFe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.534742616666668,
"spacegroup": 164
},
{
"id": "jvasp-37583",
"created_at": "2022-09-04T14:35:48.140480Z",
"updated_at": "2022-09-04T14:35:48.140506Z",
"structure_string": "V1 Fe1 Ru2\n1.0\n0.000002 2.988722 2.988722\n2.988722 0.000002 2.988722\n2.988722 2.988722 0.000002\nV Fe Ru\n1 1 2\ndirect\n0.749997 0.749997 0.749997 V\n0.249999 0.249999 0.249999 Fe\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Fe",
"Ru"
],
"chemical_system": "Fe-Ru-V",
"density": 9.60767138978541,
"density_atomic": 0.07491587740787185,
"volume": 53.39322101538514,
"volume_molar": 8.038537314610986,
"formula_full": "V1 Fe1 Ru2",
"formula_reduced": "VFeRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.172902675,
"spacegroup": 225
},
{
"id": "jvasp-30720",
"created_at": "2022-09-04T14:38:14.032926Z",
"updated_at": "2022-09-04T14:38:14.032946Z",
"structure_string": "Ti1 W2 O8\n1.0\n4.232853 -0.155820 -2.438879\n-0.971162 6.018139 -1.977573\n-0.576057 0.025755 6.128545\nTi W O\n1 2 8\ndirect\n0.124697 0.223239 0.099693 Ti\n0.915306 0.418630 0.632205 W\n0.334088 0.027852 0.567181 W\n0.215489 0.666526 0.839655 O\n0.520573 0.482734 0.363021 O\n0.209443 0.187383 0.813655 O\n0.449803 0.064428 0.330532 O\n0.728814 0.963742 0.836362 O\n0.033898 0.779959 0.359731 O\n0.039957 0.259098 0.385734 O\n0.799589 0.382044 0.868852 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ti",
"W",
"O"
],
"chemical_system": "O-Ti-W",
"density": 6.146872587113814,
"density_atomic": 0.07491426638593078,
"volume": 146.8345153823177,
"volume_molar": 8.03871018235184,
"formula_full": "Ti1 W2 O8",
"formula_reduced": "Ti(WO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 4.066289666666666,
"spacegroup": 2
},
{
"id": "jvasp-49827",
"created_at": "2022-09-04T14:37:07.763136Z",
"updated_at": "2022-09-04T14:37:07.763156Z",
"structure_string": "Ca2 Cu4 O4\n1.0\n-2.640144 2.640144 4.787714\n2.640144 -2.640144 4.787714\n2.640144 2.640144 -4.787714\nCa Cu O\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.250000 0.499999 Ca\n0.874999 0.625000 0.250000 Cu\n0.375000 0.624999 0.250000 Cu\n0.374999 0.125000 0.749999 Cu\n0.374999 0.624999 0.749999 Cu\n0.237990 0.237990 0.000000 O\n0.512009 0.012010 0.499999 O\n0.762009 0.762009 0.000000 O\n0.987989 0.487990 0.499999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.955151977661394,
"density_atomic": 0.07491289475806846,
"volume": 133.48836715354608,
"volume_molar": 8.03885736821215,
"formula_full": "Ca2 Cu4 O4",
"formula_reduced": "Ca(CuO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4372156639999995,
"spacegroup": 141
},
{
"id": "jvasp-10167",
"created_at": "2022-09-04T14:37:11.276702Z",
"updated_at": "2022-09-04T14:37:11.276726Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n3.259322 -0.019031 0.022848\n1.487240 7.372869 0.004684\n0.818789 1.433694 7.772560\nMg Ag O\n2 4 8\ndirect\n0.487693 0.198325 0.177089 Mg\n0.476917 0.834737 0.801023 Mg\n0.768672 0.558540 0.164075 Ag\n0.726589 0.202241 0.520941 Ag\n0.238011 0.830823 0.457173 Ag\n0.195935 0.474523 0.814038 Ag\n0.532397 0.633681 0.639033 O\n0.618889 0.789848 0.251093 O\n0.345723 0.243214 0.727023 O\n0.432208 0.399381 0.339081 O\n0.001141 0.702337 0.936364 O\n0.012096 0.082344 0.314573 O\n0.963462 0.330728 0.041749 O\n0.952511 0.950719 0.663540 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"O"
],
"chemical_system": "Ag-Mg-O",
"density": 5.402907953036049,
"density_atomic": 0.07491127964644494,
"volume": 186.88774328879586,
"volume_molar": 8.0390306885991,
"formula_full": "Mg2 Ag4 O8",
"formula_reduced": "Mg(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.230485367142857,
"spacegroup": 2
},
{
"id": "jvasp-116102",
"created_at": "2022-09-04T14:38:40.627832Z",
"updated_at": "2022-09-04T14:38:40.627857Z",
"structure_string": "Al1 Cd1 O2\n1.0\n2.777009 0.000000 0.000000\n0.000000 2.777009 0.000000\n0.000000 -0.000000 6.924585\nAl Cd O\n1 1 2\ndirect\n0.500000 0.500000 0.594390 Al\n0.000000 0.000000 0.036675 Cd\n0.000000 0.000000 0.535434 O\n0.500000 0.500000 0.843503 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cd",
"O"
],
"chemical_system": "Al-Cd-O",
"density": 5.329538980737226,
"density_atomic": 0.07490514795243669,
"volume": 53.40086909033171,
"volume_molar": 8.039688759207767,
"formula_full": "Al1 Cd1 O2",
"formula_reduced": "AlCdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7006623874999999,
"spacegroup": 99
},
{
"id": "jvasp-58132",
"created_at": "2022-09-04T14:37:39.094245Z",
"updated_at": "2022-09-04T14:37:39.094253Z",
"structure_string": "Zn2 Ag4 O8\n1.0\n5.197989 -0.000000 -2.729011\n-1.432765 4.996628 -2.729010\n0.262952 0.348949 6.815701\nZn Ag O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n-0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.739519 0.752621 0.479040 O\n0.773583 0.260482 0.020961 O\n0.247380 0.260482 0.020961 O\n0.260482 0.247380 0.520961 O\n0.260482 0.773583 0.520961 O\n0.226418 0.739519 -0.020960 O\n0.739519 0.226418 0.479039 O\n0.752621 0.739519 -0.020960 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"O"
],
"chemical_system": "Ag-O-Zn",
"density": 6.132280070626086,
"density_atomic": 0.07489828171068381,
"volume": 186.92017600722846,
"volume_molar": 8.040425791425033,
"formula_full": "Zn2 Ag4 O8",
"formula_reduced": "Zn(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1594055599999995,
"spacegroup": 141
},
{
"id": "jvasp-67899",
"created_at": "2022-09-04T14:36:16.393088Z",
"updated_at": "2022-09-04T14:36:16.393114Z",
"structure_string": "Be1 Cu1 Pt2\n1.0\n-1.839197 1.839197 3.947273\n1.839197 -1.839197 3.947273\n1.839197 1.839197 -3.947273\nBe Cu Pt\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cu\n0.000000 0.000000 0.000000 Pt\n0.250000 0.750001 0.500001 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Pt"
],
"chemical_system": "Be-Cu-Pt",
"density": 14.386644625032856,
"density_atomic": 0.07489388100022026,
"volume": 53.408902657724944,
"volume_molar": 8.040898241048943,
"formula_full": "Be1 Cu1 Pt2",
"formula_reduced": "BeCuPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6165498375,
"spacegroup": 119
}
]
}