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=442",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=440",
"results": [
{
"id": "jvasp-103832",
"created_at": "2022-09-04T14:36:59.650698Z",
"updated_at": "2022-09-04T14:36:59.650721Z",
"structure_string": "H14 C18 S4 N2\n1.0\n5.757576 0.006454 -0.289023\n-0.221764 8.120325 -2.281689\n-0.019387 -0.122605 8.503883\nH C S N\n14 18 4 2\ndirect\n0.866602 0.891728 0.611611 H\n0.555417 0.928102 0.454733 H\n0.948948 0.018436 0.892298 H\n0.088349 0.128146 0.773185 H\n0.934309 0.966121 0.313043 H\n0.067438 0.499862 0.694735 H\n0.323794 0.511970 0.951228 H\n0.443082 0.057642 0.339078 H\n0.341673 0.774236 0.204727 H\n0.359802 0.891372 0.902493 H\n0.608760 0.386675 0.325171 H\n0.851401 0.646216 0.339716 H\n0.574643 0.133864 0.060436 H\n0.032822 0.235568 0.442910 H\n0.483005 0.739537 0.123202 C\n0.604424 0.026226 0.398281 C\n0.700591 0.176618 0.526539 C\n0.732236 0.432270 0.767136 C\n0.695773 0.822754 0.147836 C\n0.678269 0.567138 0.905717 C\n0.921942 0.411382 0.671153 C\n0.903154 0.266931 0.534569 C\n0.475102 0.595537 0.986533 C\n0.199187 0.583161 0.407145 C\n0.213088 0.193193 0.025835 C\n0.246692 0.437343 0.277962 C\n0.214417 0.818572 0.667880 C\n0.449832 0.351447 0.247347 C\n0.430740 0.213740 0.104082 C\n0.009467 0.809552 0.573263 C\n0.001812 0.676140 0.426956 C\n0.120276 0.068404 0.871906 C\n0.401898 0.662869 0.573356 S\n0.029415 0.344940 0.127884 S\n0.884219 0.726065 -0.002473 S\n0.533511 0.266841 0.690559 S\n0.283539 0.936348 0.813213 N\n0.766178 0.965726 0.268951 N\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6212975704464585,
"density_atomic": 0.09597564509115099,
"volume": 395.93378053265747,
"volume_molar": 6.274655152648976,
"formula_full": "H14 C18 S4 N2",
"formula_reduced": "H7C9S2N",
"formula_anonymous": "AB2C7D9",
"energy_above_hull": 5.395467539473684,
"spacegroup": 1
},
{
"id": "jvasp-65148",
"created_at": "2022-09-04T14:35:45.923132Z",
"updated_at": "2022-09-04T14:35:45.923150Z",
"structure_string": "Be1 Cr1 P1\n1.0\n-1.461313 1.461313 3.659451\n1.461313 -1.461313 3.659451\n1.461313 1.461313 -3.659451\nBe Cr P\n1 1 1\ndirect\n0.002018 0.002018 0.000000 Be\n0.330299 0.330299 0.000000 Cr\n0.667682 0.667682 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Cr",
"P"
],
"chemical_system": "Be-Cr-P",
"density": 4.88640804319825,
"density_atomic": 0.09597515703316585,
"volume": 31.258088996544167,
"volume_molar": 6.274687060859871,
"formula_full": "Be1 Cr1 P1",
"formula_reduced": "BeCrP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7724996666666675,
"spacegroup": 107
},
{
"id": "jvasp-96812",
"created_at": "2022-09-04T14:36:13.462854Z",
"updated_at": "2022-09-04T14:36:13.462881Z",
"structure_string": "Si2 H16 C4 N2 Cl2 O2\n1.0\n5.465383 0.041546 -1.201994\n-0.784684 6.181577 -1.226413\n-0.032327 0.025497 8.628556\nSi H C N Cl O\n2 16 4 2 2 2\ndirect\n0.941045 0.296699 0.677645 Si\n0.058955 0.703302 0.322357 Si\n0.183473 0.848419 0.480203 H\n0.777419 0.434051 0.986088 H\n0.538102 0.091743 0.254275 H\n0.715013 0.842650 0.657943 H\n0.284987 0.157352 0.342058 H\n0.792495 0.192534 0.068110 H\n0.222581 0.565950 0.013913 H\n0.152344 0.494332 0.275189 H\n0.207505 0.807468 0.931891 H\n0.265226 0.164310 0.131485 H\n0.506674 0.246989 0.947467 H\n0.816527 0.151582 0.519799 H\n0.734774 0.835691 0.868516 H\n0.847656 0.505670 0.724813 H\n0.461898 0.908259 0.745727 H\n0.493326 0.753012 0.052534 H\n0.291812 0.737810 0.035735 C\n0.708188 0.262192 0.964267 C\n0.335715 0.081396 0.230456 C\n0.664285 0.918605 0.769545 C\n0.239560 0.852982 0.185695 N\n0.760440 0.147019 0.814306 N\n0.288797 0.404912 0.636207 Cl\n0.711203 0.595090 0.363794 Cl\n0.036295 0.168885 0.832508 O\n0.963705 0.831116 0.167494 O\n",
"nsites": 28,
"nelements": 6,
"elements": [
"Si",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-N-O-Si",
"density": 1.4300749956213086,
"density_atomic": 0.09597233272522009,
"volume": 291.7507494599224,
"volume_molar": 6.274871714582667,
"formula_full": "Si2 H16 C4 N2 Cl2 O2",
"formula_reduced": "SiH8C2NClO",
"formula_anonymous": "ABCDE2F8",
"energy_above_hull": 3.814080672678572,
"spacegroup": 2
},
{
"id": "jvasp-52941",
"created_at": "2022-09-04T14:36:37.711988Z",
"updated_at": "2022-09-04T14:36:37.712000Z",
"structure_string": "Sr2 B5 H2 O11\n1.0\n4.021415 4.054197 -3.124082\n-4.021415 4.054197 3.124082\n0.016811 0.000000 6.378080\nSr B H O\n2 5 2 11\ndirect\n0.838086 0.243831 0.086048 Sr\n0.243831 0.838087 0.913951 Sr\n0.749860 0.897658 0.743962 B\n0.897658 0.749860 0.256038 B\n0.653373 0.653373 0.500000 B\n0.809460 0.336791 0.496091 B\n0.336790 0.809460 0.503909 B\n0.301481 0.373652 0.744883 H\n0.373652 0.301482 0.255117 H\n0.497522 0.911251 0.665483 O\n0.911251 0.497523 0.334516 O\n0.899464 0.899464 -0.000000 O\n0.799668 0.693057 0.737061 O\n0.401203 0.690197 0.416209 O\n0.108137 0.825012 0.450104 O\n0.825012 0.108137 0.549896 O\n0.690197 0.401203 0.583791 O\n0.386151 0.243313 0.916092 O\n0.693057 0.799668 0.262939 O\n0.243313 0.386151 0.083908 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"B",
"H",
"O"
],
"chemical_system": "B-H-O-Sr",
"density": 3.2454581664922575,
"density_atomic": 0.09597054033442558,
"volume": 208.39728452404893,
"volume_molar": 6.274988907027961,
"formula_full": "Sr2 B5 H2 O11",
"formula_reduced": "Sr2B5H2O11",
"formula_anonymous": "A2B2C5D11",
"energy_above_hull": 3.221612201833333,
"spacegroup": 5
},
{
"id": "jvasp-14208",
"created_at": "2022-09-04T14:36:57.256169Z",
"updated_at": "2022-09-04T14:36:57.256196Z",
"structure_string": "Dy4 Co4 O12\n1.0\n5.132540 0.000000 0.000000\n-0.000000 5.503390 0.000000\n0.000000 0.000000 7.378034\nDy Co O\n4 4 12\ndirect\n0.021510 0.924405 0.750000 Dy\n0.521510 0.575595 0.250000 Dy\n0.478490 0.424405 0.750000 Dy\n0.978490 0.075595 0.250000 Dy\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.601381 0.027770 0.750000 O\n0.101381 0.472230 0.250000 O\n0.690234 0.302054 0.049996 O\n0.190234 0.197946 0.950003 O\n0.809766 0.802054 0.450003 O\n0.190234 0.197946 0.549996 O\n0.309766 0.697946 0.950003 O\n0.809766 0.802054 0.049996 O\n0.898619 0.527770 0.750000 O\n0.690234 0.302054 0.450003 O\n0.309766 0.697946 0.549996 O\n0.398619 0.972230 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Co",
"O"
],
"chemical_system": "Co-Dy-O",
"density": 8.587247954226834,
"density_atomic": 0.09596805884341568,
"volume": 208.40267315016334,
"volume_molar": 6.275151162352782,
"formula_full": "Dy4 Co4 O12",
"formula_reduced": "DyCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.03090358,
"spacegroup": 62
},
{
"id": "jvasp-55753",
"created_at": "2022-09-04T14:36:47.075312Z",
"updated_at": "2022-09-04T14:36:47.075340Z",
"structure_string": "Dy4 Co4 O12\n1.0\n5.132540 0.000000 0.000000\n0.000000 5.503390 0.000000\n0.000000 0.000000 7.378034\nDy Co O\n4 4 12\ndirect\n0.021510 0.924405 0.750000 Dy\n0.521510 0.575595 0.250000 Dy\n0.478490 0.424405 0.750000 Dy\n0.978490 0.075595 0.250000 Dy\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.601381 0.027770 0.750000 O\n0.101381 0.472230 0.250000 O\n0.690234 0.302054 0.049996 O\n0.190234 0.197946 0.950003 O\n0.809766 0.802054 0.450003 O\n0.190234 0.197946 0.549996 O\n0.309766 0.697946 0.950003 O\n0.809766 0.802054 0.049996 O\n0.898619 0.527770 0.750000 O\n0.690234 0.302054 0.450003 O\n0.309766 0.697946 0.549996 O\n0.398619 0.972230 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Co",
"O"
],
"chemical_system": "Co-Dy-O",
"density": 8.587247954226834,
"density_atomic": 0.09596805884341568,
"volume": 208.40267315016334,
"volume_molar": 6.275151162352782,
"formula_full": "Dy4 Co4 O12",
"formula_reduced": "DyCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.03090358,
"spacegroup": 62
},
{
"id": "jvasp-44534",
"created_at": "2022-09-04T14:38:30.601808Z",
"updated_at": "2022-09-04T14:38:30.601831Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n0.000000 5.037112 -0.013387\n6.432965 0.000000 0.000000\n0.000000 -0.231955 -8.361552\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.045059 0.524010 0.002276 Li\n0.421103 0.212552 0.812473 Li\n0.445815 0.392117 0.469460 Li\n0.554185 0.892117 0.530540 Li\n0.578898 0.712553 0.187527 Li\n0.954942 0.024010 0.997724 Li\n0.045806 0.748518 0.715852 Zn\n0.954194 0.248517 0.284148 Zn\n0.041153 0.750393 0.335750 P\n0.958848 0.250393 0.664250 P\n0.537767 0.736276 0.877511 C\n0.462233 0.236276 0.122489 C\n0.923696 0.564373 0.237444 O\n0.959179 0.940347 0.232186 O\n0.544148 0.252835 0.270331 O\n0.343259 0.726180 0.367789 O\n0.895935 0.767979 0.497276 O\n0.104065 0.267978 0.502724 O\n0.374109 0.703232 0.990480 O\n0.455853 0.752836 0.729669 O\n0.040821 0.440346 0.767814 O\n0.076304 0.064373 0.762557 O\n0.790059 0.755796 0.912484 O\n0.209942 0.255796 0.087516 O\n0.656741 0.226180 0.632211 O\n0.625891 0.203232 0.009520 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Zn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Zn",
"density": 2.9564243189573673,
"density_atomic": 0.0959536809184328,
"volume": 270.96407090522956,
"volume_molar": 6.27609144574582,
"formula_full": "Li6 Zn2 P2 C2 O14",
"formula_reduced": "Li3ZnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.330573107692308,
"spacegroup": 4
},
{
"id": "jvasp-48584",
"created_at": "2022-09-04T14:36:53.044362Z",
"updated_at": "2022-09-04T14:36:53.044385Z",
"structure_string": "Li4 V2 O2 F8\n1.0\n5.034966 -0.001563 0.001049\n-2.516000 5.029524 -0.052708\n-0.002022 -2.521075 6.611908\nLi V O F\n4 2 2 8\ndirect\n0.368730 0.726189 0.262421 Li\n0.359059 0.726185 0.762420 Li\n0.660416 0.283633 0.233002 Li\n0.624842 0.283643 0.733001 Li\n0.977772 0.997050 0.529400 V\n0.020896 0.997064 0.029406 V\n0.154385 0.993853 0.244230 O\n0.841054 0.993816 0.744221 O\n0.594592 0.829316 0.041221 F\n0.236311 0.829290 0.541207 F\n0.662831 0.634204 0.349237 F\n0.031527 0.363495 0.136007 F\n0.972991 0.634211 0.849254 F\n0.333570 0.363485 0.636023 F\n0.760438 0.169264 0.450140 F\n0.410434 0.169263 0.950128 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.1232724194126087,
"density_atomic": 0.09595308969542855,
"volume": 166.7481479834232,
"volume_molar": 6.276130116409279,
"formula_full": "Li4 V2 O2 F8",
"formula_reduced": "Li2VOF4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.72810110375,
"spacegroup": 9
},
{
"id": "jvasp-12248",
"created_at": "2022-09-04T14:38:12.622943Z",
"updated_at": "2022-09-04T14:38:12.622968Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n4.542487 0.043857 3.126963\n1.666834 4.225846 3.126963\n0.063780 0.043857 5.514347\nTi Fe O\n2 2 6\ndirect\n0.647498 0.647501 0.647498 Ti\n0.352500 0.352502 0.352500 Ti\n0.851998 0.852001 0.851999 Fe\n0.148000 0.148001 0.148000 Fe\n0.062946 0.732690 0.444470 O\n0.732689 0.444471 0.062946 O\n0.444470 0.062948 0.732689 O\n0.937053 0.267312 0.555529 O\n0.555529 0.937054 0.267310 O\n0.267310 0.555531 0.937053 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.834353416742255,
"density_atomic": 0.09594989911446195,
"volume": 104.22105799267861,
"volume_molar": 6.2763388138803355,
"formula_full": "Ti2 Fe2 O6",
"formula_reduced": "TiFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6050528666666666,
"spacegroup": 148
},
{
"id": "jvasp-47096",
"created_at": "2022-09-04T14:38:04.244765Z",
"updated_at": "2022-09-04T14:38:04.244787Z",
"structure_string": "Co3 Ni1 O8\n1.0\n-2.801542 1.617470 4.574898\n-0.000000 3.234941 -4.574898\n-2.822304 -1.629458 -4.583374\nCo Ni O\n3 1 8\ndirect\n0.500000 0.500000 -0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.499999 0.500000 0.500000 Ni\n0.737127 0.708449 0.765803 O\n0.737127 0.262872 0.765803 O\n0.264701 0.735298 0.794105 O\n0.291549 0.262872 0.765803 O\n0.708450 0.737127 0.234196 O\n0.735298 0.264702 0.205894 O\n0.262872 0.737127 0.234196 O\n0.262872 0.291550 0.234196 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 4.825763297335405,
"density_atomic": 0.09594180078575668,
"volume": 125.07582619588996,
"volume_molar": 6.276868591874539,
"formula_full": "Co3 Ni1 O8",
"formula_reduced": "Co3NiO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.9911352583333337,
"spacegroup": 166
},
{
"id": "jvasp-51359",
"created_at": "2022-09-04T14:37:07.025970Z",
"updated_at": "2022-09-04T14:37:07.025995Z",
"structure_string": "Fe4 O8\n1.0\n4.861392 -0.000000 2.806727\n1.620464 4.583364 2.806727\n-0.000000 -0.000000 5.613451\nFe O\n4 8\ndirect\n0.499999 0.500001 0.500001 Fe\n0.500001 0.000000 0.500000 Fe\n0.000001 0.500001 0.500001 Fe\n0.499999 0.500001 0.000001 Fe\n0.737180 0.737180 0.288458 O\n0.737180 0.737180 0.737182 O\n0.262820 0.262819 0.711543 O\n0.262820 0.711543 0.262820 O\n0.262820 0.262819 0.262820 O\n0.711543 0.262819 0.262820 O\n0.737181 0.288455 0.737183 O\n0.288457 0.737180 0.737183 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.664931554593723,
"density_atomic": 0.09594145904629806,
"volume": 125.07627171074407,
"volume_molar": 6.276890949817556,
"formula_full": "Fe4 O8",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0142708333333337,
"spacegroup": 227
},
{
"id": "jvasp-116843",
"created_at": "2022-09-04T14:38:41.983364Z",
"updated_at": "2022-09-04T14:38:41.983388Z",
"structure_string": "Na4 Mn2 O6\n1.0\n5.147871 0.000311 0.829773\n-2.777959 4.333996 0.829773\n-0.001392 -0.002547 5.604956\nNa Mn O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.342822 0.657179 -0.000001 Na\n0.657179 0.342822 -0.000001 Na\n0.500000 0.500000 0.500000 Na\n0.167391 0.832610 0.500000 Mn\n0.832609 0.167390 0.500000 Mn\n0.568050 0.943973 0.299219 O\n0.431950 0.056027 0.700780 O\n0.806264 0.806264 0.701154 O\n0.943973 0.568050 0.299219 O\n0.056028 0.431950 0.700780 O\n0.193736 0.193736 0.298846 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.9540220730443987,
"density_atomic": 0.09594017610895554,
"volume": 125.07794426364264,
"volume_molar": 6.2769748860590875,
"formula_full": "Na4 Mn2 O6",
"formula_reduced": "Na2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5378542902298853,
"spacegroup": 12
}
]
}