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{
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"results": [
{
"id": "jvasp-105894",
"created_at": "2022-09-04T14:36:17.457944Z",
"updated_at": "2022-09-04T14:36:17.457965Z",
"structure_string": "Ho2 P2 Ru4 C2\n1.0\n5.851797 -0.006116 0.000000\n-4.637831 3.568486 -0.000000\n0.000000 0.000000 7.052135\nHo P Ru C\n2 2 4 2\ndirect\n0.543218 0.456782 0.250000 Ho\n0.456783 0.543218 0.750000 Ho\n0.268125 0.731876 0.250000 P\n0.731876 0.268124 0.750000 P\n0.835081 0.164918 0.052798 Ru\n0.164919 0.835082 0.947203 Ru\n0.164919 0.835082 0.552798 Ru\n0.835081 0.164918 0.447203 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "jvasp-12018",
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"structure_string": "Sr2 Sb2 Se4 F2\n1.0\n4.121697 0.000000 -0.000000\n-0.000000 4.121697 -0.000000\n-0.000000 0.000000 14.413476\nSr Sb Se F\n2 2 4 2\ndirect\n0.250000 0.250000 0.599433 Sr\n0.750001 0.750001 0.400567 Sr\n0.250000 0.250000 0.131813 Sb\n0.750001 0.750001 0.868188 Sb\n0.750001 0.750001 0.690537 Se\n0.750001 0.750001 0.108126 Se\n0.250000 0.250000 0.891875 Se\n0.250000 0.250000 0.309463 Se\n0.750001 0.250000 0.500000 F\n0.250000 0.750001 0.500000 F\n",
"nsites": 10,
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"formula_full": "Sr2 Sb2 Se4 F2",
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"spacegroup": 129
},
{
"id": "jvasp-108765",
"created_at": "2022-09-04T14:38:20.708347Z",
"updated_at": "2022-09-04T14:38:20.708367Z",
"structure_string": "La1 Mn1 Cu1 Ge2\n1.0\n3.944465 -0.019823 -4.587813\n-0.557188 3.904964 -4.587813\n0.017283 0.019823 6.050334\nLa Mn Cu Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.249999 0.749999 0.499999 Mn\n0.750000 0.250000 0.500000 Cu\n0.625188 0.625188 0.000001 Ge\n0.374812 0.374812 0.000001 Ge\n",
"nsites": 5,
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"elements": [
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"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-La-Mn",
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"density_atomic": 0.05327819069946913,
"volume": 93.8470307335309,
"volume_molar": 11.303200579707385,
"formula_full": "La1 Mn1 Cu1 Ge2",
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"formula_anonymous": "ABCD2",
"energy_above_hull": 1.454428918275862,
"spacegroup": 119
},
{
"id": "jvasp-56550",
"created_at": "2022-09-04T14:38:18.796537Z",
"updated_at": "2022-09-04T14:38:18.796551Z",
"structure_string": "Dy2 Si2 Ru4 C2\n1.0\n3.802499 0.000000 0.000000\n-1.901249 5.579241 -0.000000\n0.000000 -0.000000 7.143270\nDy Si Ru C\n2 2 4 2\ndirect\n0.047246 0.094490 0.750000 Dy\n0.952755 0.905510 0.250000 Dy\n0.230855 0.461709 0.250000 Si\n0.769145 0.538291 0.750000 Si\n0.336278 0.672556 0.943782 Ru\n0.336278 0.672556 0.556218 Ru\n0.663722 0.327444 0.056218 Ru\n0.663722 0.327444 0.443782 Ru\n0.500000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Si",
"Ru",
"C"
],
"chemical_system": "C-Dy-Ru-Si",
"density": 8.869718711546351,
"density_atomic": 0.06598704860227099,
"volume": 151.54488966878634,
"volume_molar": 9.126246570441012,
"formula_full": "Dy2 Si2 Ru4 C2",
"formula_reduced": "DySiRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-109097",
"created_at": "2022-09-04T14:38:17.590967Z",
"updated_at": "2022-09-04T14:38:17.590991Z",
"structure_string": "Sm2 Si2 Os4 C2\n1.0\n5.916563 -0.004705 0.000000\n-4.604300 3.715664 0.000000\n0.000000 -0.000000 7.176065\nSm Si Os C\n2 2 4 2\ndirect\n0.548555 0.451443 0.250000 Sm\n0.451443 0.548555 0.749999 Sm\n0.270120 0.729877 0.250000 Si\n0.729877 0.270120 0.749999 Si\n0.834348 0.165649 0.058289 Os\n0.165649 0.834348 0.941710 Os\n0.165649 0.834348 0.558289 Os\n0.834348 0.165649 0.441710 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Os",
"C"
],
"chemical_system": "C-Os-Si-Sm",
"density": 12.030601381077412,
"density_atomic": 0.0634506210975759,
"volume": 157.60287018501768,
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"formula_full": "Sm2 Si2 Os4 C2",
"formula_reduced": "SmSiOs2C",
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{
"id": "jvasp-106844",
"created_at": "2022-09-04T14:36:50.307645Z",
"updated_at": "2022-09-04T14:36:50.307655Z",
"structure_string": "Ba1 Sc1 O2 F1\n1.0\n4.184601 -0.000000 0.000000\n0.000000 4.184601 0.000000\n-0.000000 -0.000000 4.186347\nBa Sc O F\n1 1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 F\n",
"nsites": 5,
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"elements": [
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"F"
],
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"density_atomic": 0.06820664251407425,
"volume": 73.306643102514,
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"formula_full": "Ba1 Sc1 O2 F1",
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"formula_anonymous": "ABCD2",
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"spacegroup": 123
},
{
"id": "jvasp-51403",
"created_at": "2022-09-04T14:37:10.933867Z",
"updated_at": "2022-09-04T14:37:10.933887Z",
"structure_string": "Na4 H4 C4 N8\n1.0\n3.450025 0.000000 0.000000\n0.000000 6.408541 0.000000\n0.000000 0.000000 10.478696\nNa H C N\n4 4 4 8\ndirect\n0.766923 0.500000 0.250000 Na\n0.233076 0.000000 0.750000 Na\n0.233076 0.500000 0.750000 Na\n0.766923 0.000000 0.250000 Na\n0.820180 0.250000 0.911148 H\n0.179819 0.750000 0.088852 H\n0.820180 0.750000 0.588852 H\n0.179819 0.250000 0.411148 H\n0.805659 0.250000 0.548270 C\n0.194339 0.750000 0.451730 C\n0.805659 0.750000 0.951730 C\n0.194339 0.250000 0.048270 C\n0.295963 0.250000 0.157715 N\n0.704035 0.750000 0.842286 N\n0.295963 0.750000 0.342285 N\n0.704035 0.250000 0.657715 N\n0.113170 0.250000 0.929550 N\n0.886829 0.750000 0.070450 N\n0.113170 0.750000 0.570451 N\n0.886829 0.250000 0.429550 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"H",
"C",
"N"
],
"chemical_system": "C-H-N-Na",
"density": 1.8354746116486547,
"density_atomic": 0.08632594580568516,
"volume": 231.68005648057274,
"volume_molar": 6.976049557053796,
"formula_full": "Na4 H4 C4 N8",
"formula_reduced": "NaHCN2",
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"energy_above_hull": 3.8099771,
"spacegroup": 57
},
{
"id": "jvasp-109168",
"created_at": "2022-09-04T14:38:08.956878Z",
"updated_at": "2022-09-04T14:38:08.956908Z",
"structure_string": "La1 Mn1 Fe1 Si2\n1.0\n3.776199 -0.026825 -4.503857\n-0.520038 3.740315 -4.503857\n0.023521 0.026825 5.877402\nLa Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750001 0.499999 Mn\n0.750000 0.250001 0.500000 Fe\n0.636054 0.636056 0.000001 Si\n0.363946 0.363947 0.000000 Si\n",
"nsites": 5,
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"elements": [
"La",
"Mn",
"Fe",
"Si"
],
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"density": 6.057175824740639,
"density_atomic": 0.059630587979685616,
"volume": 83.84958407090255,
"volume_molar": 10.09907995884858,
"formula_full": "La1 Mn1 Fe1 Si2",
"formula_reduced": "LaMnFeSi2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.258312988275862,
"spacegroup": 119
},
{
"id": "jvasp-55728",
"created_at": "2022-09-04T14:38:08.646030Z",
"updated_at": "2022-09-04T14:38:08.646060Z",
"structure_string": "Rb4 H4 C4 O8\n1.0\n4.619222 -0.000000 0.000000\n0.000000 7.269219 0.000000\n0.000000 0.000000 9.194425\nRb H C O\n4 4 4 8\ndirect\n0.950764 0.500000 0.250000 Rb\n0.049236 0.000000 0.750000 Rb\n0.049236 0.500000 0.750000 Rb\n0.950764 0.000000 0.250000 Rb\n0.423095 0.750000 0.034951 H\n0.423095 0.250000 0.465049 H\n0.576905 0.750000 0.534951 H\n0.576905 0.250000 0.965050 H\n0.603920 0.250000 0.546084 C\n0.603920 0.750000 0.953917 C\n0.396080 0.750000 0.453916 C\n0.396080 0.250000 0.046084 C\n0.139486 0.250000 0.996677 O\n0.139486 0.750000 0.503324 O\n0.860514 0.250000 0.496677 O\n0.860514 0.750000 0.003323 O\n0.465017 0.250000 0.179745 O\n0.465017 0.750000 0.320255 O\n0.534982 0.750000 0.820256 O\n0.534982 0.250000 0.679745 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "C-H-O-Rb",
"density": 2.8073031624803075,
"density_atomic": 0.06478117680701627,
"volume": 308.73165610405914,
"volume_molar": 9.296127450632786,
"formula_full": "Rb4 H4 C4 O8",
"formula_reduced": "RbHCO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 57
},
{
"id": "jvasp-48916",
"created_at": "2022-09-04T14:36:13.546311Z",
"updated_at": "2022-09-04T14:36:13.546335Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n4.880878 0.000000 0.000000\n0.000000 5.159528 0.000000\n0.000000 0.000000 8.424193\nLi Mn O F\n4 4 4 8\ndirect\n0.000000 0.000000 0.786097 Li\n0.000000 0.500000 0.180150 Li\n0.500000 0.500000 0.286097 Li\n0.500000 0.000000 0.680150 Li\n0.000000 0.000000 0.428501 Mn\n0.000000 0.500000 0.593942 Mn\n0.500000 0.500000 0.928501 Mn\n0.500000 0.000000 0.093942 Mn\n0.183021 0.817149 0.586129 O\n0.316979 0.317148 0.086129 O\n0.683021 0.682852 0.086129 O\n0.816979 0.182852 0.586129 O\n0.764294 0.650278 0.413913 F\n0.772727 0.167806 0.255612 F\n0.727273 0.667806 0.755612 F\n0.735707 0.150278 0.913912 F\n0.264294 0.849723 0.913912 F\n0.272727 0.332194 0.755612 F\n0.227273 0.832194 0.255612 F\n0.235707 0.349723 0.413913 F\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "F-Li-Mn-O",
"density": 3.627968804563651,
"density_atomic": 0.09427439663583541,
"volume": 212.1466772919938,
"volume_molar": 6.387885762093412,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
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"spacegroup": 34
},
{
"id": "jvasp-29499",
"created_at": "2022-09-04T14:37:53.446089Z",
"updated_at": "2022-09-04T14:37:53.446106Z",
"structure_string": "Cd2 Bi2 S4 Br2\n1.0\n4.058357 -0.000000 0.000000\n-2.029178 6.541732 -0.148550\n0.000000 -0.041374 9.562708\nCd Bi S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.279031 0.558062 0.698607 Bi\n0.720970 0.441939 0.301394 Bi\n0.355630 0.711259 0.444774 S\n0.918481 0.836962 0.745438 S\n0.644371 0.288742 0.555227 S\n0.081519 0.163038 0.254562 S\n0.359340 0.718679 0.071206 Br\n0.640661 0.281321 0.928794 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
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"density": 6.089027762142555,
"density_atomic": 0.03939297499431948,
"volume": 253.8523683840079,
"volume_molar": 15.287346946678692,
"formula_full": "Cd2 Bi2 S4 Br2",
"formula_reduced": "CdBiS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4487036310000002,
"spacegroup": 12
},
{
"id": "jvasp-29388",
"created_at": "2022-09-04T14:38:01.870376Z",
"updated_at": "2022-09-04T14:38:01.870395Z",
"structure_string": "Mn2 Sb2 S4 Br2\n1.0\n3.639706 -0.000000 -0.000000\n-1.819853 6.261624 -0.161851\n-0.000000 -0.095943 8.856506\nMn Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.707434 0.414867 0.789683 Sb\n0.292567 0.585132 0.210318 Sb\n0.620922 0.241844 0.045274 S\n0.057620 0.115240 0.750324 S\n0.379080 0.758156 0.954727 S\n0.942382 0.884760 0.249676 S\n0.371924 0.743846 0.550691 Br\n0.628078 0.256154 0.449309 Br\n",
"nsites": 10,
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"elements": [
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"S",
"Br"
],
"chemical_system": "Br-Mn-S-Sb",
"density": 5.278704617725789,
"density_atomic": 0.04955710342163087,
"volume": 201.78741914998938,
"volume_molar": 12.151922417183556,
"formula_full": "Mn2 Sb2 S4 Br2",
"formula_reduced": "MnSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.974259489275862,
"spacegroup": 12
}
]
}