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=-nsites&page=535",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=533",
"results": [
{
"id": "jvasp-122489",
"created_at": "2022-09-04T14:38:50.625067Z",
"updated_at": "2022-09-04T14:38:50.625095Z",
"structure_string": "Ca3 Ru4 O14\n1.0\n6.264325 0.000000 3.616710\n-4.176216 5.849002 0.000000\n-0.000000 -0.000000 7.233419\nCa Ru O\n3 4 14\ndirect\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.499999 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.754645 0.068188 0.686458 O\n0.748709 0.679039 0.069672 O\n0.748709 0.679039 0.681620 O\n0.754645 0.068188 0.058898 O\n0.360657 0.679039 0.069671 O\n0.127085 0.068188 0.686458 O\n0.251290 0.320961 0.318381 O\n0.251290 0.320961 0.930329 O\n0.762754 0.394132 0.368623 O\n0.245354 0.931812 0.941103 O\n0.639341 0.320961 0.930330 O\n0.872914 0.931812 0.313543 O\n0.245354 0.931812 0.313543 O\n0.237244 0.605867 0.631378 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 4.689693691670044,
"density_atomic": 0.07923546682722192,
"volume": 265.03282987897154,
"volume_molar": 7.600309559772859,
"formula_full": "Ca3 Ru4 O14",
"formula_reduced": "Ca3(Ru2O7)2",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 2.966309631428572,
"spacegroup": 166
},
{
"id": "jvasp-116547",
"created_at": "2022-09-04T14:38:43.860222Z",
"updated_at": "2022-09-04T14:38:43.860253Z",
"structure_string": "La2 Mn3 Cu9 P7\n1.0\n9.569359 0.000000 0.000000\n-4.784679 8.287308 0.000000\n0.000000 -0.000000 3.900800\nLa Mn Cu P\n2 3 9 7\ndirect\n0.666667 0.333333 -0.000000 La\n0.333333 0.666667 0.500000 La\n0.084055 0.876378 0.500000 Mn\n0.792322 0.915945 0.500000 Mn\n0.123623 0.207678 0.500000 Mn\n0.956291 0.376383 0.500000 Cu\n0.623617 0.579908 0.500000 Cu\n0.420092 0.043709 0.500000 Cu\n0.841358 0.723788 -0.000000 Cu\n0.882430 0.158642 -0.000000 Cu\n0.370266 0.421713 -0.000000 Cu\n0.578287 0.948553 -0.000000 Cu\n0.051447 0.629734 -0.000000 Cu\n0.276212 0.117570 -0.000000 Cu\n0.702972 0.111290 0.500000 P\n0.294034 0.883241 -0.000000 P\n0.589207 0.705966 -0.000000 P\n0.116759 0.410794 -0.000000 P\n0.408318 0.297028 0.500000 P\n0.888710 0.591682 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 4,
"elements": [
"La",
"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-La-Mn-P",
"density": 6.609711570308723,
"density_atomic": 0.06788429050026312,
"volume": 309.34992242304725,
"volume_molar": 8.871184652031767,
"formula_full": "La2 Mn3 Cu9 P7",
"formula_reduced": "La2Mn3Cu9P7",
"formula_anonymous": "A2B3C7D9",
"energy_above_hull": 2.002993060673235,
"spacegroup": 174
},
{
"id": "jvasp-112017",
"created_at": "2022-09-04T14:38:43.353058Z",
"updated_at": "2022-09-04T14:38:43.353084Z",
"structure_string": "H7 C11 S2 N1\n1.0\n3.962782 -0.097184 0.595047\n1.653581 5.569864 0.708731\n0.117664 -0.096598 10.245599\nH C S N\n7 11 2 1\ndirect\n0.789329 0.980492 0.448357 H\n0.742936 0.643008 0.825386 H\n0.960665 0.685343 0.571776 H\n0.700497 0.779752 0.214603 H\n0.398505 0.744452 0.440338 H\n0.093479 0.016193 0.222610 H\n0.039325 0.120693 0.014752 H\n0.939279 0.177877 0.268883 C\n0.768529 0.157138 0.398030 C\n0.078375 0.444242 0.062434 C\n0.917289 0.402998 0.200331 C\n0.563680 0.358671 0.462496 C\n0.160151 0.320674 0.838637 C\n0.545985 0.583440 0.392672 C\n0.370579 0.358595 0.595860 C\n0.966629 0.520199 0.774386 C\n0.085600 0.541548 0.638760 C\n0.718921 0.604773 0.266189 C\n0.203931 0.694980 0.013804 S\n0.487986 0.151924 0.728585 S\n0.113493 0.272411 0.977526 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5856935247391393,
"density_atomic": 0.09228046583111044,
"volume": 227.56712171819453,
"volume_molar": 6.525910663500097,
"formula_full": "H7 C11 S2 N1",
"formula_reduced": "H7C11S2N",
"formula_anonymous": "AB2C7D11",
"energy_above_hull": 5.636441583333334,
"spacegroup": 1
},
{
"id": "jvasp-117142",
"created_at": "2022-09-04T14:38:48.293278Z",
"updated_at": "2022-09-04T14:38:48.293296Z",
"structure_string": "Nd2 Co1 Te2 S2 O14\n1.0\n5.087883 0.098491 -1.562930\n-0.464358 7.156925 -3.561888\n0.021696 -0.143160 8.188522\nNd Co Te S O\n2 1 2 2 14\ndirect\n0.070142 0.251416 0.985621 Nd\n0.929858 0.748583 0.014378 Nd\n0.000000 0.000000 0.500000 Co\n0.500816 0.265895 0.647095 Te\n0.499184 0.734104 0.352904 Te\n0.751596 0.250290 0.262650 S\n0.248404 0.749709 0.737349 S\n0.724304 0.811722 0.254143 O\n0.275696 0.188277 0.745856 O\n0.262000 0.561748 0.116059 O\n0.737999 0.438252 0.883941 O\n0.186454 0.918185 0.905242 O\n0.813546 0.081814 0.094758 O\n0.127132 0.765790 0.558175 O\n0.464143 0.263624 0.234499 O\n0.741171 0.069490 0.656043 O\n0.872868 0.234210 0.441824 O\n0.135469 0.584841 0.734291 O\n0.864531 0.415158 0.265708 O\n0.535857 0.736375 0.765501 O\n0.258829 0.930509 0.343956 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Nd",
"Co",
"Te",
"S",
"O"
],
"chemical_system": "Co-Nd-O-S-Te",
"density": 4.99555038574226,
"density_atomic": 0.07092562525551382,
"volume": 296.0848060816699,
"volume_molar": 8.49078275771962,
"formula_full": "Nd2 Co1 Te2 S2 O14",
"formula_reduced": "Nd2CoTe2(SO7)2",
"formula_anonymous": "AB2C2D2E14",
"energy_above_hull": 2.6796889730158733,
"spacegroup": 2
},
{
"id": "jvasp-103837",
"created_at": "2022-09-04T14:36:56.763429Z",
"updated_at": "2022-09-04T14:36:56.763440Z",
"structure_string": "H7 C11 S2 N1\n1.0\n3.795522 0.001345 -0.719407\n-0.499967 6.344717 -0.354973\n-0.130431 -0.129983 9.779254\nH C S N\n7 11 2 1\ndirect\n0.874943 0.778940 0.626658 H\n0.131385 0.953345 0.251168 H\n0.279904 0.779559 0.485843 H\n0.654416 0.906575 0.042283 H\n0.621887 0.334662 0.944562 H\n0.303123 0.182807 0.709557 H\n0.184882 0.929285 0.858952 H\n0.213835 0.765347 0.825793 C\n0.040720 0.679931 0.694055 C\n0.426847 0.643361 0.917525 C\n0.072755 0.468710 0.648958 C\n0.447591 0.429512 0.876847 C\n0.775880 0.672622 0.166049 C\n0.902797 0.379451 0.505937 C\n0.910936 0.509691 0.393821 C\n0.020525 0.797816 0.267657 C\n0.095138 0.705529 0.394364 C\n0.271290 0.344902 0.744527 C\n0.695778 0.136943 0.476690 S\n0.651769 0.432243 0.225700 S\n0.623452 0.746669 0.041741 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5375763402188942,
"density_atomic": 0.08948025498788321,
"volume": 234.6886472646247,
"volume_molar": 6.730133660007424,
"formula_full": "H7 C11 S2 N1",
"formula_reduced": "H7C11S2N",
"formula_anonymous": "AB2C7D11",
"energy_above_hull": 5.636360154761905,
"spacegroup": 1
},
{
"id": "jvasp-55342",
"created_at": "2022-09-04T14:36:53.601602Z",
"updated_at": "2022-09-04T14:36:53.601625Z",
"structure_string": "Ba2 Mn1 B6 O12\n1.0\n6.120528 -0.029108 3.317884\n1.962292 5.797510 3.317884\n-0.040788 -0.029108 6.961864\nBa Mn B O\n2 1 6 12\ndirect\n0.212207 0.212207 0.212207 Ba\n0.787793 0.787793 0.787792 Ba\n0.000000 0.000000 0.000000 Mn\n0.757097 0.641003 0.365124 B\n0.634875 0.242902 0.358996 B\n0.641003 0.365125 0.757096 B\n0.358997 0.634875 0.242902 B\n0.242903 0.358997 0.634874 B\n0.365125 0.757097 0.641002 B\n0.426289 0.538837 0.802411 O\n0.461162 0.197588 0.573710 O\n0.197588 0.573710 0.461162 O\n0.678540 0.159099 0.914830 O\n0.159099 0.914831 0.678540 O\n0.321459 0.840900 0.085169 O\n0.085169 0.321459 0.840900 O\n0.840900 0.085169 0.321459 O\n0.802412 0.426289 0.538837 O\n0.573710 0.461162 0.197588 O\n0.538838 0.802411 0.426289 O\n0.914831 0.678540 0.159099 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"B",
"O"
],
"chemical_system": "B-Ba-Mn-O",
"density": 3.916899060120509,
"density_atomic": 0.08446581184635997,
"volume": 248.62130062987123,
"volume_molar": 7.129678420606481,
"formula_full": "Ba2 Mn1 B6 O12",
"formula_reduced": "Ba2Mn(BO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.465855556256157,
"spacegroup": 148
},
{
"id": "jvasp-47811",
"created_at": "2022-09-04T14:37:00.734174Z",
"updated_at": "2022-09-04T14:37:00.734202Z",
"structure_string": "Li3 Fe3 Si3 O12\n1.0\n2.749404 -4.762108 0.000000\n2.749404 4.762108 -0.000000\n0.000000 -0.000000 11.437591\nLi Fe Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.500000 -0.000001 0.500000 Fe\n0.499999 0.499999 0.166667 Fe\n-0.000001 0.500000 0.833333 Fe\n0.500000 -0.000001 0.000000 Si\n0.499999 0.499999 0.666667 Si\n-0.000001 0.500000 0.333333 Si\n0.393522 0.221544 0.582954 O\n0.393523 0.171978 0.083713 O\n0.778455 0.606476 0.750379 O\n0.828020 0.606476 0.249621 O\n0.171978 0.393523 0.249621 O\n0.221543 0.828021 0.916287 O\n0.606476 0.828020 0.083713 O\n0.606476 0.778455 0.582954 O\n0.778455 0.171978 0.916287 O\n0.171978 0.778455 0.417046 O\n0.221544 0.393522 0.750379 O\n0.828021 0.221543 0.417046 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.575922353560678,
"density_atomic": 0.07011596828375441,
"volume": 299.5038150940806,
"volume_molar": 8.58882920311222,
"formula_full": "Li3 Fe3 Si3 O12",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4451483,
"spacegroup": 181
},
{
"id": "jvasp-101888",
"created_at": "2022-09-04T14:36:50.959777Z",
"updated_at": "2022-09-04T14:36:50.959802Z",
"structure_string": "Ti1 H10 C6 O4\n1.0\n4.887312 -0.106809 0.032836\n1.889750 5.712987 1.681233\n-0.043366 0.215934 6.771230\nTi H C O\n1 10 6 4\ndirect\n0.656470 0.192550 0.290577 Ti\n0.223785 0.461776 0.708520 H\n0.717833 0.096186 0.910653 H\n0.499918 0.676883 0.841043 H\n0.181178 0.881377 0.869406 H\n0.896467 0.678196 0.702122 H\n0.918157 0.504024 0.394954 H\n0.725832 0.355840 0.590843 H\n0.531893 0.596282 0.369759 H\n0.958556 0.864159 0.118986 H\n0.579638 0.900378 0.109251 H\n0.744815 -0.007173 0.075630 C\n0.727004 0.444997 0.423128 C\n0.077827 0.447664 0.003383 C\n0.268196 0.929481 0.560574 C\n0.277160 0.765748 0.775824 C\n0.109786 0.590394 0.786141 C\n0.851241 0.395811 0.041784 O\n0.051904 0.990560 0.432348 O\n0.485914 0.006642 0.518681 O\n0.295618 0.377118 0.141819 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.7074107648868793,
"density_atomic": 0.11129819629359432,
"volume": 188.6823030321529,
"volume_molar": 5.41081613228857,
"formula_full": "Ti1 H10 C6 O4",
"formula_reduced": "TiH10(C3O2)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 4.523966301587302,
"spacegroup": 1
},
{
"id": "jvasp-51728",
"created_at": "2022-09-04T14:37:28.970003Z",
"updated_at": "2022-09-04T14:37:28.970034Z",
"structure_string": "Ca4 Mg3 H14\n1.0\n3.112170 -5.390437 0.000000\n3.112170 5.390437 0.000000\n0.000000 0.000000 6.842828\nCa Mg H\n4 3 14\ndirect\n0.000000 0.000000 0.266422 Ca\n0.000000 0.000000 0.733578 Ca\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.557060 0.557060 0.000000 Mg\n-0.000000 0.442940 0.000000 Mg\n0.442940 -0.000000 0.000000 Mg\n0.769441 -0.000000 0.000000 H\n-0.000000 0.769441 0.000000 H\n0.230560 0.230560 0.000000 H\n0.736431 -0.000000 0.500000 H\n-0.000000 0.736431 0.500000 H\n0.263569 0.263569 0.500000 H\n0.611972 0.611972 0.723981 H\n-0.000000 0.388028 0.723981 H\n0.666667 0.333333 0.000000 H\n0.388028 -0.000000 0.276019 H\n-0.000000 0.388028 0.276019 H\n0.611972 0.611972 0.276019 H\n0.388028 -0.000000 0.723981 H\n0.333333 0.666667 0.000000 H\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"H"
],
"chemical_system": "Ca-H-Mg",
"density": 1.788905161112728,
"density_atomic": 0.09146741145600801,
"volume": 229.58996724314343,
"volume_molar": 6.583919522961899,
"formula_full": "Ca4 Mg3 H14",
"formula_reduced": "Ca4Mg3H14",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 1.889603753809524,
"spacegroup": 189
},
{
"id": "jvasp-34817",
"created_at": "2022-09-04T14:37:12.089956Z",
"updated_at": "2022-09-04T14:37:12.089977Z",
"structure_string": "Sr2 Ni1 N6 O12\n1.0\n6.105254 -0.000000 3.524870\n2.035084 5.756088 3.524870\n0.000000 0.000000 7.049740\nSr Ni N O\n2 1 6 12\ndirect\n0.250000 0.250001 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Ni\n0.202425 0.202425 0.797575 N\n0.202426 0.797575 0.797574 N\n0.797574 0.202425 0.202427 N\n0.797574 0.202425 0.797575 N\n0.202426 0.797575 0.202426 N\n0.797573 0.797575 0.202426 N\n0.607997 -0.000000 0.999999 O\n-0.000000 -0.000000 0.607998 O\n0.607997 -0.000000 0.392003 O\n0.392002 0.000000 0.000001 O\n0.392004 0.607997 0.000000 O\n0.999998 0.392003 0.607997 O\n-0.000000 0.607997 0.392004 O\n0.999998 0.392003 0.000001 O\n0.392002 -0.000000 0.607997 O\n0.607996 0.392003 0.000000 O\n-0.000000 -0.000000 0.392003 O\n-0.000000 0.607997 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"N",
"O"
],
"chemical_system": "N-Ni-O-Sr",
"density": 3.418112861202708,
"density_atomic": 0.08476470069551521,
"volume": 247.74463695016718,
"volume_molar": 7.10453845832859,
"formula_full": "Sr2 Ni1 N6 O12",
"formula_reduced": "Sr2Ni(NO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.637732215238095,
"spacegroup": 225
},
{
"id": "jvasp-36064",
"created_at": "2022-09-04T14:37:17.401569Z",
"updated_at": "2022-09-04T14:37:17.401590Z",
"structure_string": "Sm2 Mn12 P7\n1.0\n0.000000 9.332538 0.000552\n3.645639 0.000000 0.000000\n0.000000 -4.665617 -8.082270\nSm Mn P\n2 12 7\ndirect\n0.666664 0.500000 0.333332 Sm\n0.333332 0.000000 0.666667 Sm\n0.895228 0.500000 0.121921 Mn\n0.226690 0.500000 0.104770 Mn\n0.878082 0.500000 0.773309 Mn\n0.392951 0.500000 0.437165 Mn\n0.044212 0.500000 0.607048 Mn\n0.562837 0.500000 0.955788 Mn\n0.155159 0.000000 0.274699 Mn\n0.119539 0.000000 0.844838 Mn\n0.952133 0.000000 0.375542 Mn\n0.423408 0.000000 0.047868 Mn\n0.624459 0.000000 0.576594 Mn\n0.725305 0.000000 0.880463 Mn\n0.408273 0.000000 0.291825 P\n0.279756 0.500000 0.875619 P\n0.124381 0.500000 0.404137 P\n0.595863 0.500000 0.720245 P\n0.000001 0.000000 -0.000000 P\n0.883550 0.000000 0.591725 P\n0.708180 0.000000 0.116454 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"P"
],
"chemical_system": "Mn-P-Sm",
"density": 7.106523116557522,
"density_atomic": 0.07637080008990174,
"volume": 274.97420447709516,
"volume_molar": 7.885396974905187,
"formula_full": "Sm2 Mn12 P7",
"formula_reduced": "Sm2Mn12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.481935387931034,
"spacegroup": 174
},
{
"id": "jvasp-47710",
"created_at": "2022-09-04T14:37:29.046171Z",
"updated_at": "2022-09-04T14:37:29.046192Z",
"structure_string": "Li3 Co3 Si3 O12\n1.0\n2.740829 -4.747255 -0.000000\n2.740829 4.747255 -0.000000\n-0.000000 -0.000000 11.283955\nLi Co Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.333333 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.666667 Co\n0.500000 0.500000 0.833333 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.166667 Si\n0.391763 0.221637 0.918771 O\n0.391763 0.170126 0.414561 O\n0.829874 0.221638 0.081228 O\n0.778363 0.170126 0.585438 O\n0.170126 0.778363 0.081228 O\n0.221637 0.391763 0.747894 O\n0.608237 0.778363 0.918771 O\n0.608237 0.829874 0.414561 O\n0.829874 0.608237 0.252106 O\n0.170126 0.391763 0.252106 O\n0.221638 0.829874 0.585438 O\n0.778363 0.608237 0.747894 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.6797494933593886,
"density_atomic": 0.071516038935005,
"volume": 293.6404240604707,
"volume_molar": 8.420685554848788,
"formula_full": "Li3 Co3 Si3 O12",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.448583357142857,
"spacegroup": 180
}
]
}