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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1174",
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"results": [
{
"id": "jvasp-117399",
"created_at": "2022-09-04T14:38:26.451295Z",
"updated_at": "2022-09-04T14:38:26.451326Z",
"structure_string": "Ba2 Y2 Mn2 Co2 O10\n1.0\n5.169246 -0.059539 1.767628\n-0.550260 5.136205 1.779199\n-0.020934 -0.042312 8.502245\nBa Y Mn Co O\n2 2 2 2 10\ndirect\n0.006656 0.006655 0.986709 Ba\n0.506649 0.506633 0.986710 Ba\n0.247740 0.247731 0.504523 Y\n0.747732 0.747749 0.504524 Y\n0.362618 0.862608 0.274756 Mn\n0.867500 0.367505 0.265004 Mn\n0.138420 0.638426 0.723151 Co\n0.651393 0.151399 0.697217 Co\n0.097464 0.597448 0.314844 O\n0.587698 0.087703 0.314834 O\n0.408772 0.400201 0.691019 O\n0.900216 0.908797 0.690997 O\n0.484990 0.984949 0.030050 O\n0.408785 0.908785 0.690991 O\n-0.002007 0.498021 0.004014 O\n0.097485 0.087687 0.314814 O\n0.900218 0.400236 0.690995 O\n0.587682 0.597478 0.314848 O\n",
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],
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"density_atomic": 0.07961739597165947,
"volume": 226.08124493806935,
"volume_molar": 7.563850445628285,
"formula_full": "Ba2 Y2 Mn2 Co2 O10",
"formula_reduced": "BaYMnCoO5",
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"spacegroup": 107
},
{
"id": "jvasp-11793",
"created_at": "2022-09-04T14:37:04.205931Z",
"updated_at": "2022-09-04T14:37:04.205962Z",
"structure_string": "K4 Mn4 O6\n1.0\n0.000000 6.013595 -0.001336\n6.418357 0.000000 0.000000\n0.000000 -2.733185 -5.856814\nK Mn O\n4 4 6\ndirect\n0.816592 0.361418 0.072760 K\n0.816592 0.138582 0.572760 K\n0.183408 0.638582 0.927240 K\n0.183408 0.861418 0.427240 K\n0.331222 0.119552 0.071595 Mn\n0.331222 0.380448 0.571594 Mn\n0.668778 0.880448 0.928405 Mn\n0.668778 0.619553 0.428406 Mn\n0.000000 0.500000 0.500000 O\n0.588406 0.627488 0.713994 O\n0.411595 0.127488 0.786006 O\n0.411594 0.372512 0.286006 O\n0.000000 0.000000 0.000000 O\n0.588405 0.872512 0.213994 O\n",
"nsites": 14,
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"elements": [
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"Mn",
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],
"chemical_system": "K-Mn-O",
"density": 3.46782384865378,
"density_atomic": 0.06192464622930203,
"volume": 226.08122698285777,
"volume_molar": 9.724949800601996,
"formula_full": "K4 Mn4 O6",
"formula_reduced": "K2Mn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.0525687118226603,
"spacegroup": 14
},
{
"id": "jvasp-86206",
"created_at": "2022-09-04T14:35:54.987785Z",
"updated_at": "2022-09-04T14:35:54.987810Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n4.030959 0.000000 -0.233969\n0.000000 6.188351 0.000000\n0.009198 0.000000 9.061895\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718098 0.560570 0.126506 H\n0.363801 0.707011 0.049794 H\n0.280992 0.352451 0.873413 H\n0.281903 0.060570 0.873493 H\n0.636200 0.207011 0.950205 H\n0.719008 0.852451 0.126586 H\n0.139026 0.706879 0.584781 Au\n0.860975 0.206879 0.415219 Au\n0.677050 0.206871 0.606073 C\n0.322951 0.706870 0.393927 C\n0.434568 0.206707 0.863198 C\n0.565433 0.706707 0.136801 C\n0.430085 0.706815 0.277345 N\n0.569916 0.206815 0.722654 N\n0.079070 0.206788 0.187080 Cl\n0.920930 0.706788 0.812919 Cl\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"Au",
"C",
"N",
"Cl"
],
"chemical_system": "Au-C-Cl-H-N",
"density": 4.017567827497582,
"density_atomic": 0.07077698393165625,
"volume": 226.0621901528036,
"volume_molar": 8.508614560087931,
"formula_full": "H6 Au2 C4 N2 Cl2",
"formula_reduced": "H3AuC2NCl",
"formula_anonymous": "ABCD2E3",
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"spacegroup": 11
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{
"id": "jvasp-90459",
"created_at": "2022-09-04T14:35:45.187298Z",
"updated_at": "2022-09-04T14:35:45.187323Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n11.167767 3.100194 0.000000\n-2.899038 5.021280 0.000000\n0.000000 0.000000 3.474014\nRb Mg C\n1 6 1\ndirect\n0.079747 0.289873 0.250000 Rb\n0.584598 0.287129 0.250000 Mg\n0.584598 0.797468 0.250000 Mg\n0.372005 0.167355 0.749999 Mg\n0.372005 0.704650 0.749999 Mg\n0.780974 0.140487 0.749999 Mg\n0.801203 0.650602 0.749999 Mg\n0.424869 0.962434 0.250000 C\n",
"nsites": 8,
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"elements": [
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"Mg",
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],
"chemical_system": "C-Mg-Rb",
"density": 1.7874488358503926,
"density_atomic": 0.03539298789646594,
"volume": 226.03347373220268,
"volume_molar": 17.015067441088586,
"formula_full": "Rb1 Mg6 C1",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0368617874999999,
"spacegroup": 38
},
{
"id": "jvasp-56738",
"created_at": "2022-09-04T14:38:20.368751Z",
"updated_at": "2022-09-04T14:38:20.368771Z",
"structure_string": "Sm4 Mn2 Ni2 O12\n1.0\n0.000000 5.331990 -0.000372\n5.567448 0.000000 0.000000\n0.000000 -5.297684 -7.613791\nSm Mn Ni O\n4 2 2 12\ndirect\n0.765507 0.437340 0.250539 Sm\n0.765508 0.062660 0.750539 Sm\n0.234493 0.562661 0.749460 Sm\n0.234492 0.937340 0.249460 Sm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.259777 0.288371 0.952616 O\n0.740224 0.788371 0.547384 O\n0.259776 0.211629 0.452616 O\n0.654946 0.478011 0.743707 O\n0.837146 0.195612 0.045060 O\n0.162855 0.804388 0.954940 O\n0.345054 0.521989 0.256293 O\n0.837146 0.304388 0.545060 O\n0.162854 0.695612 0.454940 O\n0.345054 0.978011 0.756293 O\n0.654946 0.021989 0.243707 O\n0.740224 0.711630 0.047384 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O-Sm",
"density": 7.498559631919712,
"density_atomic": 0.08848353541353687,
"volume": 226.03075144463827,
"volume_molar": 6.805945006440924,
"formula_full": "Sm4 Mn2 Ni2 O12",
"formula_reduced": "Sm2MnNiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4640798391379306,
"spacegroup": 14
},
{
"id": "jvasp-112912",
"created_at": "2022-09-04T14:38:41.784085Z",
"updated_at": "2022-09-04T14:38:41.784112Z",
"structure_string": "Li8 Co6 O14\n1.0\n10.186223 -0.027924 0.817544\n-9.125665 4.525721 0.817544\n-0.003092 -0.013115 4.925349\nLi Co O\n8 6 14\ndirect\n0.858757 0.141245 0.499999 Li\n0.286620 0.713382 0.499999 Li\n0.713382 0.286620 0.499999 Li\n0.141245 0.858756 0.499999 Li\n0.567466 0.432536 0.499999 Li\n0.000001 0.000001 0.500000 Li\n0.432536 0.567465 0.499999 Li\n0.500000 0.500000 -0.000001 Li\n0.213991 0.786009 -0.000001 Co\n0.786010 0.213991 -0.000001 Co\n0.641295 0.358706 -0.000001 Co\n0.070195 0.929805 -0.000001 Co\n0.929806 0.070195 -0.000001 Co\n0.358706 0.641295 -0.000001 Co\n0.826948 0.674229 0.775362 O\n0.383457 0.097621 0.781406 O\n0.954482 0.524999 0.781937 O\n0.524998 0.954481 0.781937 O\n0.097621 0.383456 0.781406 O\n0.173054 0.325773 0.224636 O\n0.780394 0.780394 0.229032 O\n0.902381 0.616545 0.218592 O\n0.475004 0.045521 0.218061 O\n0.045521 0.475003 0.218061 O\n0.616545 0.902381 0.218592 O\n0.219608 0.219608 0.770966 O\n0.325773 0.173054 0.224636 O\n0.674229 0.826948 0.775362 O\n",
"nsites": 28,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.651397165469215,
"density_atomic": 0.12388170345706556,
"volume": 226.02207766463374,
"volume_molar": 4.861202737728845,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.480327657142857,
"spacegroup": 12
},
{
"id": "jvasp-55317",
"created_at": "2022-09-04T14:36:51.842682Z",
"updated_at": "2022-09-04T14:36:51.842707Z",
"structure_string": "Y4 V4 O12\n1.0\n5.267935 -0.000000 0.000000\n0.000000 5.638982 0.000000\n0.000000 0.000000 7.608664\nY V O\n4 4 12\ndirect\n0.480390 0.570498 0.750000 Y\n0.980390 0.929502 0.250000 Y\n0.519611 0.429502 0.250000 Y\n0.019611 0.070498 0.750000 Y\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.387918 0.040638 0.250000 O\n0.887918 0.459362 0.750000 O\n0.309313 0.303602 0.943726 O\n0.809313 0.196398 0.056273 O\n0.690688 0.696398 0.056273 O\n0.309313 0.303602 0.556273 O\n0.690688 0.696398 0.443726 O\n0.190687 0.803602 0.556273 O\n0.112083 0.540638 0.250000 O\n0.809313 0.196398 0.443726 O\n0.190687 0.803602 0.943726 O\n0.612083 0.959362 0.750000 O\n",
"nsites": 20,
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],
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"density": 5.520272010871255,
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"volume": 226.02137985061577,
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"formula_full": "Y4 V4 O12",
"formula_reduced": "YVO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-49649",
"created_at": "2022-09-04T14:37:08.153327Z",
"updated_at": "2022-09-04T14:37:08.153336Z",
"structure_string": "Y4 V4 O12\n1.0\n5.268068 0.000000 0.000000\n-0.000000 5.638893 0.000000\n0.000000 0.000000 7.608449\nY V O\n4 4 12\ndirect\n0.019615 0.929490 0.750000 Y\n0.519616 0.570509 0.250000 Y\n0.480385 0.429490 0.750000 Y\n0.980385 0.070510 0.250000 Y\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.612085 0.040634 0.750000 O\n0.112085 0.459366 0.250000 O\n0.690686 0.303600 0.056270 O\n0.190686 0.196400 0.943730 O\n0.809315 0.803600 0.443730 O\n0.190686 0.196400 0.556270 O\n0.309314 0.696400 0.943730 O\n0.809315 0.803600 0.056270 O\n0.387916 0.959366 0.250000 O\n0.690686 0.303600 0.443730 O\n0.309314 0.696400 0.556270 O\n0.887916 0.540633 0.750000 O\n",
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"density_atomic": 0.08848886727853716,
"volume": 226.0171320426764,
"volume_molar": 6.805534916662518,
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"spacegroup": 62
},
{
"id": "jvasp-25220",
"created_at": "2022-09-04T14:37:49.412993Z",
"updated_at": "2022-09-04T14:37:49.413016Z",
"structure_string": "Sr4\n1.0\n6.549030 0.000000 2.634893\n3.274514 5.658366 1.317445\n1.162494 0.000000 6.566873\nSr\n4\ndirect\n0.329235 0.841528 0.500001 Sr\n0.670763 0.158473 0.500000 Sr\n0.170763 0.500000 0.158473 Sr\n0.829235 0.500000 0.841527 Sr\n",
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],
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"volume": 226.01551370307027,
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"formula_full": "Sr4",
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"spacegroup": 140
},
{
"id": "jvasp-38255",
"created_at": "2022-09-04T14:37:54.183203Z",
"updated_at": "2022-09-04T14:37:54.183213Z",
"structure_string": "Rb3 Cr1\n1.0\n6.091299 0.000000 -0.000000\n0.000000 6.091299 -0.000000\n0.000000 0.000000 6.091299\nRb Cr\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
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],
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"density": 2.2658596663690638,
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"volume": 226.0110921567082,
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"formula_full": "Rb3 Cr1",
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},
{
"id": "jvasp-64614",
"created_at": "2022-09-04T14:36:00.781228Z",
"updated_at": "2022-09-04T14:36:00.781255Z",
"structure_string": "Ba4 Co1 Se1\n1.0\n0.000000 4.834658 4.834658\n4.834658 -0.000000 4.834658\n4.834658 4.834658 0.000000\nBa Co Se\n4 1 1\ndirect\n0.124671 0.625110 0.625110 Ba\n0.625110 0.625110 0.625110 Ba\n0.625110 0.124671 0.625110 Ba\n0.625110 0.625110 0.124671 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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],
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"density_atomic": 0.026547521499042014,
"volume": 226.00979907734566,
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"formula_full": "Ba4 Co1 Se1",
"formula_reduced": "Ba4CoSe",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-117385",
"created_at": "2022-09-04T14:38:26.422607Z",
"updated_at": "2022-09-04T14:38:26.422637Z",
"structure_string": "Fe1 Co1 Rh4 S8\n1.0\n5.921205 -0.000000 3.418610\n-3.947470 5.582566 0.000000\n-0.000000 -0.000000 6.837219\nFe Co Rh S\n1 1 4 8\ndirect\n0.500001 0.750001 0.750000 Fe\n0.000000 0.000000 0.000000 Co\n0.751428 0.375713 0.872859 Rh\n0.248573 0.375713 0.375713 Rh\n0.248573 0.872860 0.375713 Rh\n0.751428 0.375713 0.375713 Rh\n0.255879 0.127940 0.616182 S\n0.744122 0.127940 0.127939 S\n0.744122 0.616182 0.127939 S\n0.255879 0.127940 0.127939 S\n0.247781 0.623890 0.128330 S\n0.752221 0.623890 0.623890 S\n0.752221 0.128330 0.623890 S\n0.247781 0.623890 0.623890 S\n",
"nsites": 14,
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],
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"density": 5.752321338915616,
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"volume": 226.00781375552802,
"volume_molar": 9.721791909254671,
"formula_full": "Fe1 Co1 Rh4 S8",
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"formula_anonymous": "ABC4D8",
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}
]
}