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=-created_at&page=114",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=112",
"results": [
{
"id": "jvasp-118453",
"created_at": "2022-09-04T14:38:52.446903Z",
"updated_at": "2022-09-04T14:38:52.446932Z",
"structure_string": "Li1 H1 N1\n1.0\n3.626412 1.239983 0.000000\n0.979583 3.109847 0.000000\n0.000000 0.000000 2.385001\nLi H N\n1 1 1\ndirect\n0.379395 0.090875 0.000000 Li\n-0.186627 0.219085 0.000000 H\n0.014248 -0.175167 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.5190868488646816,
"density_atomic": 0.12499961058328565,
"volume": 24.000074768242083,
"volume_molar": 4.8177276168292735,
"formula_full": "Li1 H1 N1",
"formula_reduced": "LiHN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.508131083333333,
"spacegroup": 38
},
{
"id": "jvasp-118138",
"created_at": "2022-09-04T14:38:52.445607Z",
"updated_at": "2022-09-04T14:38:52.445636Z",
"structure_string": "Zn1 Ag1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nZn Ag O\n1 1 1\ndirect\n-0.018648 -0.058198 0.000000 Zn\n0.327231 0.001322 0.000000 Ag\n0.047088 0.269256 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"O"
],
"chemical_system": "Ag-O-Zn",
"density": 1.63658116865126,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Zn1 Ag1 O1",
"formula_reduced": "ZnAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5852203866666669,
"spacegroup": 6
},
{
"id": "jvasp-119683",
"created_at": "2022-09-04T14:38:52.443035Z",
"updated_at": "2022-09-04T14:38:52.443060Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.387239 0.019769 0.076491\n0.122001 7.386258 0.076491\n0.039747 0.039201 10.546718\nZr Cr Ag S\n4 4 4 16\ndirect\n-0.000125 0.249704 0.624781 Zr\n0.749704 -0.000125 0.374781 Zr\n0.499875 0.749704 0.124781 Zr\n0.249704 0.499875 0.874781 Zr\n0.000059 0.750066 0.625068 Cr\n0.750066 0.500059 0.875068 Cr\n0.250066 0.000059 0.375068 Cr\n0.500059 0.250066 0.125068 Cr\n0.985123 0.515195 0.250161 Ag\n0.485123 0.015195 0.750161 Ag\n0.515195 0.485123 0.500161 Ag\n0.015195 0.985123 0.000161 Ag\n0.772363 0.516214 0.644273 S\n0.992805 0.269668 0.868588 S\n0.227943 0.983841 0.605919 S\n0.516214 0.272363 0.894273 S\n0.269667 0.492805 0.118588 S\n0.507013 0.730135 0.881210 S\n0.730135 0.007013 0.131210 S\n0.769668 0.992805 0.618588 S\n0.272363 0.016214 0.144273 S\n0.492805 0.769668 0.368588 S\n0.727943 0.483841 0.105919 S\n0.016214 0.772363 0.394273 S\n0.983841 0.727943 0.855919 S\n0.007013 0.230135 0.381210 S\n0.483841 0.227943 0.355919 S\n0.230135 0.507013 0.631210 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.379008780387093,
"density_atomic": 0.04866162598255002,
"volume": 575.4020634255163,
"volume_molar": 12.375543641224668,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5282184514285726,
"spacegroup": 74
},
{
"id": "jvasp-122844",
"created_at": "2022-09-04T14:38:52.441494Z",
"updated_at": "2022-09-04T14:38:52.441514Z",
"structure_string": "Sm3 Dy1\n1.0\n1.792672 -3.104998 0.000000\n1.792672 3.104998 0.000000\n0.000000 0.000000 11.563256\nSm Dy\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333332 0.666667 0.247752 Sm\n0.666667 0.333332 0.752248 Sm\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Dy"
],
"chemical_system": "Dy-Sm",
"density": 7.914946729594151,
"density_atomic": 0.031073322683261913,
"volume": 128.72778494829768,
"volume_molar": 19.38042101704145,
"formula_full": "Sm3 Dy1",
"formula_reduced": "Sm3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 1.49559328125,
"spacegroup": 164
},
{
"id": "jvasp-120545",
"created_at": "2022-09-04T14:38:52.441104Z",
"updated_at": "2022-09-04T14:38:52.441141Z",
"structure_string": "Ba6 Ho2 Al2 Rh2 O15\n1.0\n5.897354 -0.007806 0.000000\n-2.937903 5.113470 0.000000\n-0.000000 -0.000000 14.793368\nBa Ho Al Rh O\n6 2 2 2 15\ndirect\n0.329753 0.670247 0.187482 Ba\n0.329753 0.670247 0.812518 Ba\n0.014153 0.985847 -0.000000 Ba\n0.660760 0.339239 0.646989 Ba\n0.660760 0.339239 0.353011 Ba\n0.986309 0.013689 0.500000 Ba\n0.994790 0.005209 0.248105 Ho\n0.994790 0.005209 0.751895 Ho\n0.663542 0.336457 0.885564 Al\n0.663542 0.336457 0.114436 Al\n0.323683 0.676317 0.584003 Rh\n0.323683 0.676317 0.415998 Rh\n0.618483 0.381516 -0.000000 O\n0.170697 0.351778 0.660925 O\n0.648222 0.829303 0.660925 O\n0.167580 0.832420 0.668842 O\n0.170697 0.351778 0.339076 O\n0.648222 0.829303 0.339076 O\n0.834064 0.165935 0.138012 O\n0.348282 0.162243 0.838524 O\n0.834064 0.165935 0.861988 O\n0.837756 0.651717 0.838524 O\n0.348282 0.162243 0.161476 O\n0.002841 0.529062 0.500000 O\n0.837756 0.651717 0.161476 O\n0.167580 0.832420 0.331159 O\n0.470938 0.997159 0.500000 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Ba",
"Ho",
"Al",
"Rh",
"O"
],
"chemical_system": "Al-Ba-Ho-O-Rh",
"density": 6.159802191025704,
"density_atomic": 0.06056952877837799,
"volume": 445.7686982969961,
"volume_molar": 9.942525361283272,
"formula_full": "Ba6 Ho2 Al2 Rh2 O15",
"formula_reduced": "Ba6Ho2Al2Rh2O15",
"formula_anonymous": "A2B2C2D6E15",
"energy_above_hull": 2.11013485382716,
"spacegroup": 38
},
{
"id": "jvasp-111629",
"created_at": "2022-09-04T14:38:52.440047Z",
"updated_at": "2022-09-04T14:38:52.440086Z",
"structure_string": "Tb10 Pb6\n1.0\n9.050583 0.000000 0.000000\n-4.525292 7.838035 0.000000\n0.000000 0.000000 6.620877\nTb Pb\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.763083 0.763083 0.750000 Tb\n0.236917 -0.000000 0.750000 Tb\n-0.000000 0.236917 0.750000 Tb\n0.236917 0.236917 0.250000 Tb\n0.763083 -0.000000 0.250000 Tb\n-0.000000 0.763083 0.250000 Tb\n0.394270 0.394270 0.750000 Pb\n0.605730 -0.000000 0.750000 Pb\n-0.000000 0.605730 0.750000 Pb\n0.605730 0.605730 0.250000 Pb\n0.394270 -0.000000 0.250000 Pb\n-0.000000 0.394270 0.250000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Pb"
],
"chemical_system": "Pb-Tb",
"density": 10.014115878669216,
"density_atomic": 0.034065966020843885,
"volume": 469.6769787831675,
"volume_molar": 17.67788048727355,
"formula_full": "Tb10 Pb6",
"formula_reduced": "Tb5Pb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.0798568075,
"spacegroup": 193
},
{
"id": "jvasp-116647",
"created_at": "2022-09-04T14:38:52.438108Z",
"updated_at": "2022-09-04T14:38:52.438127Z",
"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n6.208415 -0.009773 2.135893\n-3.117452 5.308051 2.283173\n-0.122867 -0.009777 6.564403\nSr Ca Mn O\n2 2 4 12\ndirect\n0.500003 0.000003 -0.000003 Sr\n0.000002 0.000003 0.499997 Sr\n0.499989 0.499983 0.499988 Ca\n-0.000008 0.499984 -0.000011 Ca\n0.500017 -0.000014 0.499976 Mn\n0.000018 0.499997 0.499966 Mn\n0.000018 -0.000014 -0.000024 Mn\n0.500019 0.499998 -0.000035 Mn\n0.750005 0.296491 0.453513 O\n0.249990 0.296484 0.953533 O\n0.038849 0.788858 0.250010 O\n0.538840 0.788860 0.750018 O\n-0.038864 0.211150 0.750014 O\n0.250005 0.500006 0.250026 O\n0.749983 -0.000008 0.250019 O\n0.250000 0.000022 0.750005 O\n0.750004 0.703523 0.046481 O\n0.749988 0.500003 0.750011 O\n0.461142 0.211149 0.250009 O\n0.249989 0.703518 0.546501 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 5.088095264620371,
"density_atomic": 0.0918583232420298,
"volume": 217.72659563253376,
"volume_molar": 6.555901030473598,
"formula_full": "Sr2 Ca2 Mn4 O12",
"formula_reduced": "SrCaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.379195221275862,
"spacegroup": 65
},
{
"id": "jvasp-119678",
"created_at": "2022-09-04T14:38:52.437291Z",
"updated_at": "2022-09-04T14:38:52.437316Z",
"structure_string": "Mg2 V2 Ga2 S8\n1.0\n6.297859 0.000732 3.609795\n1.961676 5.909776 3.875307\n-0.020365 0.030892 7.334226\nMg V Ga S\n2 2 2 8\ndirect\n0.866608 0.883376 0.883410 Mg\n0.118145 0.131871 0.131826 Mg\n0.497564 0.523690 0.981201 V\n0.497564 0.981195 0.523692 V\n0.507292 0.490661 0.490666 Ga\n0.011390 0.490646 0.490644 Ga\n0.754137 0.737123 0.737136 S\n0.268107 0.242506 0.721274 S\n0.268103 0.721297 0.242484 S\n0.711528 0.259557 0.259568 S\n0.729302 0.291064 0.750345 S\n0.271614 0.737134 0.737131 S\n0.269363 0.259553 0.259547 S\n0.729298 0.750320 0.291085 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"V",
"Ga",
"S"
],
"chemical_system": "Ga-Mg-S-V",
"density": 3.3255663566243694,
"density_atomic": 0.05130822293809145,
"volume": 272.86074625684097,
"volume_molar": 11.737184441695282,
"formula_full": "Mg2 V2 Ga2 S8",
"formula_reduced": "MgVGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5889879392857145,
"spacegroup": 44
},
{
"id": "jvasp-119975",
"created_at": "2022-09-04T14:38:52.435846Z",
"updated_at": "2022-09-04T14:38:52.435871Z",
"structure_string": "Ag1 As1 F1\n1.0\n2.761038 -0.000000 -0.000000\n0.000000 2.761038 0.000000\n0.000000 0.000000 6.964516\nAg As F\n1 1 1\ndirect\n0.000000 -0.000000 0.331027 Ag\n0.000000 -0.000000 0.722710 As\n0.000000 0.000000 -0.004147 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ag",
"As",
"F"
],
"chemical_system": "Ag-As-F",
"density": 6.311159593473251,
"density_atomic": 0.05650482660701138,
"volume": 53.09280959067214,
"volume_molar": 10.657745756630188,
"formula_full": "Ag1 As1 F1",
"formula_reduced": "AgAsF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3780347250000004,
"spacegroup": 99
},
{
"id": "jvasp-119670",
"created_at": "2022-09-04T14:38:52.427408Z",
"updated_at": "2022-09-04T14:38:52.427431Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n4.954206 -0.002547 2.363241\n2.560699 4.659845 1.054700\n-0.003331 -0.046919 11.517409\nHf Mg N O\n8 1 8 4\ndirect\n0.050166 0.441334 0.279448 Hf\n0.163641 0.069093 0.804068 Hf\n0.353633 0.424146 0.977729 Hf\n0.535310 0.059659 0.507882 Hf\n0.246121 0.776298 0.449799 Hf\n0.757376 0.122177 0.216778 Hf\n0.624208 0.762865 0.049393 Hf\n0.945927 0.706248 0.744974 Hf\n0.700045 0.409699 0.656605 Mg\n0.740014 0.031758 0.892663 N\n0.165084 0.957733 0.629073 N\n0.898701 0.730876 0.130253 N\n0.500926 0.683842 0.839221 N\n0.496798 0.433839 0.121358 N\n0.368760 0.317659 0.668474 N\n0.352414 0.108453 0.360319 N\n0.647864 0.397517 0.379332 N\n0.026822 0.433395 0.914377 O\n0.190969 0.126864 0.130774 O\n0.980429 0.810172 0.347878 O\n0.859535 0.703403 0.581120 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"N",
"O"
],
"chemical_system": "Hf-Mg-N-O",
"density": 10.166174745494565,
"density_atomic": 0.07895864607705577,
"volume": 265.96200724498357,
"volume_molar": 7.626955449721099,
"formula_full": "Hf8 Mg1 N8 O4",
"formula_reduced": "Hf8Mg(N2O)4",
"formula_anonymous": "AB4C8D8",
"energy_above_hull": 5.563853002380951,
"spacegroup": 1
},
{
"id": "jvasp-118525",
"created_at": "2022-09-04T14:38:52.427386Z",
"updated_at": "2022-09-04T14:38:52.427406Z",
"structure_string": "Li1 Hf2 O3\n1.0\n3.192942 0.000000 0.000000\n-1.596471 2.765169 0.000000\n-0.000000 0.000000 7.492979\nLi Hf O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333334 0.163800 Hf\n0.333334 0.666668 0.836200 Hf\n0.666667 0.333334 0.671678 O\n0.000000 0.000000 0.000000 O\n0.333334 0.666668 0.328322 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Hf",
"O"
],
"chemical_system": "Hf-Li-O",
"density": 10.339365983463457,
"density_atomic": 0.0906951421683043,
"volume": 66.15569319981563,
"volume_molar": 6.6399816087444075,
"formula_full": "Li1 Hf2 O3",
"formula_reduced": "LiHf2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.054359416666667,
"spacegroup": 164
},
{
"id": "jvasp-117993",
"created_at": "2022-09-04T14:38:52.425152Z",
"updated_at": "2022-09-04T14:38:52.425180Z",
"structure_string": "Ca2 Ti1 O3\n1.0\n0.000000 6.943894 2.308555\n2.308253 0.000000 2.308555\n2.308253 6.943894 0.000000\nCa Ti O\n2 1 3\ndirect\n0.897742 0.571896 0.428103 Ca\n0.571895 0.897742 0.102257 Ca\n0.234857 0.234858 0.765141 Ti\n0.392785 0.076873 0.923126 O\n0.076873 0.392785 0.607214 O\n0.734929 0.734929 0.265070 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.94963863153854,
"density_atomic": 0.08107641510844789,
"volume": 74.0042587227666,
"volume_molar": 7.427734381132637,
"formula_full": "Ca2 Ti1 O3",
"formula_reduced": "Ca2TiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4004749455555556,
"spacegroup": 139
}
]
}