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&page=930",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=928",
"results": [
{
"id": "jvasp-58191",
"created_at": "2022-09-04T14:37:27.454848Z",
"updated_at": "2022-09-04T14:37:27.454871Z",
"structure_string": "Fe2 W4 O16\n1.0\n0.000000 4.897893 -0.048196\n5.786407 0.000000 0.000000\n0.000000 -4.752611 -9.003033\nFe W O\n2 4 16\ndirect\n0.500000 0.331745 0.250000 Fe\n0.500000 0.668256 0.750000 Fe\n0.273592 0.179056 0.514176 W\n0.726407 0.179056 0.985824 W\n0.726407 0.820945 0.485824 W\n0.273593 0.820945 0.014176 W\n0.324197 0.113784 0.883858 O\n0.675803 0.886217 0.116142 O\n0.239392 0.409644 0.622676 O\n0.760608 0.409644 0.877324 O\n0.760608 0.590356 0.377324 O\n0.239392 0.590356 0.122677 O\n0.188766 0.106416 0.109415 O\n0.188766 0.893584 0.609415 O\n0.811234 0.893584 0.890585 O\n0.324197 0.886217 0.383859 O\n0.703690 0.659448 0.640449 O\n0.296310 0.659448 0.859551 O\n0.296310 0.340553 0.359552 O\n0.703690 0.340553 0.140449 O\n0.811234 0.106416 0.390585 O\n0.675803 0.113784 0.616142 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Fe",
"W",
"O"
],
"chemical_system": "Fe-O-W",
"density": 7.141398914143608,
"density_atomic": 0.08577593431584321,
"volume": 256.4821960317196,
"volume_molar": 7.020781304258767,
"formula_full": "Fe2 W4 O16",
"formula_reduced": "Fe(WO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 4.063755772727273,
"spacegroup": 13
},
{
"id": "jvasp-26386",
"created_at": "2022-09-04T14:37:41.124770Z",
"updated_at": "2022-09-04T14:37:41.124797Z",
"structure_string": "Ba2 Bi2 I2 O4\n1.0\n0.000000 6.143065 0.000107\n5.928968 0.000000 0.000000\n0.000000 -3.071455 -7.041426\nBa Bi I O\n2 2 2 4\ndirect\n0.397253 0.250000 0.794506 Ba\n0.602747 0.750000 0.205494 Ba\n0.929733 0.750000 0.859464 Bi\n0.070267 0.250000 0.140537 Bi\n0.747224 0.250000 0.494449 I\n0.252776 0.750000 0.505551 I\n0.224018 0.500001 0.000001 O\n0.775982 0.499999 0.999999 O\n0.775982 0.000001 0.999999 O\n0.224018 -0.000001 0.000001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"I",
"O"
],
"chemical_system": "Ba-Bi-I-O",
"density": 6.542294207430068,
"density_atomic": 0.038992264973433576,
"volume": 256.46112137402775,
"volume_molar": 15.444449723818396,
"formula_full": "Ba2 Bi2 I2 O4",
"formula_reduced": "BaBiIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7025447090000001,
"spacegroup": 63
},
{
"id": "jvasp-103779",
"created_at": "2022-09-04T14:37:02.776827Z",
"updated_at": "2022-09-04T14:37:02.776847Z",
"structure_string": "H8 C12 S2\n1.0\n5.493492 0.025744 -0.152941\n-2.755757 5.141659 -0.545276\n0.319020 0.063140 9.040384\nH C S\n8 12 2\ndirect\n0.221617 0.459644 0.421041 H\n0.432132 0.273078 0.910711 H\n0.858760 0.904195 0.948434 H\n0.089403 0.841508 0.703117 H\n0.696389 0.330143 0.039807 H\n0.057289 0.585207 0.202952 H\n0.868653 0.637883 0.445288 H\n0.405693 0.407738 0.179025 H\n0.288425 0.236490 0.235636 C\n0.179857 0.266437 0.371869 C\n0.352197 0.945955 0.027051 C\n0.247080 0.989821 0.171510 C\n0.030172 0.052451 0.450739 C\n0.092615 0.776438 0.251181 C\n0.931892 0.068053 0.599817 C\n0.550618 0.183077 0.953952 C\n0.709975 0.124789 0.834117 C\n0.849821 0.983957 0.846604 C\n0.971212 0.948040 0.714531 C\n0.988089 0.806104 0.386579 C\n0.735425 0.220659 0.657362 S\n0.249304 0.649887 0.943065 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4006777460596964,
"density_atomic": 0.08578498567315426,
"volume": 256.45513404666485,
"volume_molar": 7.020040526607655,
"formula_full": "H8 C12 S2",
"formula_reduced": "H4C6S",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.33078090909091,
"spacegroup": 1
},
{
"id": "jvasp-49915",
"created_at": "2022-09-04T14:37:14.249315Z",
"updated_at": "2022-09-04T14:37:14.249349Z",
"structure_string": "Fe3 Sn2 S8\n1.0\n-5.039968 5.046403 -0.158549\n5.039968 -0.158549 5.046403\n5.039968 5.046403 -0.158549\nFe Sn S\n3 2 8\ndirect\n0.624046 0.254045 0.629999 Fe\n0.254613 0.500000 0.245387 Fe\n0.115955 0.745954 0.629999 Fe\n0.627366 0.262199 0.110434 Sn\n0.627365 0.737800 0.634834 Sn\n0.861486 0.256919 0.395433 S\n0.371230 0.224318 0.404450 S\n0.878562 0.293740 0.827696 S\n0.878562 0.706259 0.415179 S\n0.376928 0.230961 0.854035 S\n0.915003 0.769037 0.854035 S\n0.347647 0.743080 0.395433 S\n0.371229 0.775681 0.853089 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Fe",
"Sn",
"S"
],
"chemical_system": "Fe-S-Sn",
"density": 4.2832143009201795,
"density_atomic": 0.0506933070253453,
"volume": 256.44410993941165,
"volume_molar": 11.879557900985015,
"formula_full": "Fe3 Sn2 S8",
"formula_reduced": "Fe3(SnS4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.453326915384616,
"spacegroup": 44
},
{
"id": "jvasp-64401",
"created_at": "2022-09-04T14:36:07.450890Z",
"updated_at": "2022-09-04T14:36:07.450923Z",
"structure_string": "Ba4 Sc1 Sn1\n1.0\n-0.000000 5.042546 5.042546\n5.042546 -0.000000 5.042546\n5.042546 5.042546 -0.000000\nBa Sc Sn\n4 1 1\ndirect\n0.122560 0.625814 0.625814 Ba\n0.625814 0.625814 0.625814 Ba\n0.625814 0.122560 0.625814 Ba\n0.625814 0.625814 0.122560 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Sn"
],
"chemical_system": "Ba-Sc-Sn",
"density": 4.616822042902899,
"density_atomic": 0.023397618129825926,
"volume": 256.43635889379476,
"volume_molar": 25.738264154005165,
"formula_full": "Ba4 Sc1 Sn1",
"formula_reduced": "Ba4ScSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4415951383333332,
"spacegroup": 216
},
{
"id": "jvasp-91576",
"created_at": "2022-09-04T14:36:07.228600Z",
"updated_at": "2022-09-04T14:36:07.228618Z",
"structure_string": "Ce2 Tl2 Te4\n1.0\n-3.961471 3.961471 -4.084800\n3.961471 -3.961471 -4.084800\n-3.961471 -3.961471 4.084800\nCe Tl Te\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Ce\n0.750000 0.250000 0.500000 Ce\n0.750000 0.750000 0.000000 Tl\n0.250000 0.250000 0.000000 Tl\n0.782413 0.282414 0.064828 Te\n0.217586 0.717586 0.935172 Te\n0.717586 0.782413 0.500000 Te\n0.282413 0.217586 0.500000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Tl",
"Te"
],
"chemical_system": "Ce-Te-Tl",
"density": 7.767278623713905,
"density_atomic": 0.031199399572625058,
"volume": 256.4151909839749,
"volume_molar": 19.30210466384725,
"formula_full": "Ce2 Tl2 Te4",
"formula_reduced": "CeTlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6276409083333335,
"spacegroup": 140
},
{
"id": "jvasp-120576",
"created_at": "2022-09-04T14:38:46.320987Z",
"updated_at": "2022-09-04T14:38:46.321008Z",
"structure_string": "Cd2 Te2 Mo2 O12\n1.0\n5.314162 -0.000000 0.000000\n0.000000 5.314162 0.000000\n-0.000000 -0.000000 9.079614\nCd Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.763764 Te\n-0.000000 0.500000 0.236235 Te\n0.500000 0.000000 0.182863 Mo\n-0.000000 0.500000 0.817136 Mo\n0.818459 0.681540 0.933472 O\n0.305396 0.194604 0.626721 O\n0.283322 0.216677 0.284282 O\n0.694604 0.805396 0.626721 O\n0.216677 0.716677 0.715717 O\n0.194604 0.694604 0.373278 O\n0.805396 0.305396 0.373278 O\n0.181540 0.318460 0.933472 O\n0.318460 0.818459 0.066528 O\n0.681540 0.181540 0.066528 O\n0.783322 0.283322 0.715717 O\n0.716677 0.783322 0.284282 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cd",
"Te",
"Mo",
"O"
],
"chemical_system": "Cd-Mo-O-Te",
"density": 5.594650902324367,
"density_atomic": 0.07019974590343954,
"volume": 256.41118451851924,
"volume_molar": 8.578579142271419,
"formula_full": "Cd2 Te2 Mo2 O12",
"formula_reduced": "CdTeMoO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.374029379629629,
"spacegroup": 113
},
{
"id": "jvasp-33808",
"created_at": "2022-09-04T14:38:05.803193Z",
"updated_at": "2022-09-04T14:38:05.803213Z",
"structure_string": "Pm2 Cl6\n1.0\n8.871715 0.000000 0.000000\n-4.435859 7.683132 -0.000000\n-0.000000 -0.000000 3.761745\nPm Cl\n2 6\ndirect\n0.666667 0.333334 0.250001 Pm\n0.333334 0.666668 0.750000 Pm\n0.796629 0.203370 0.750000 Cl\n0.406740 0.203370 0.750000 Cl\n0.796629 0.593258 0.750000 Cl\n0.203371 0.796630 0.250001 Cl\n0.593260 0.796630 0.250001 Cl\n0.203370 0.406740 0.250001 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Cl"
],
"chemical_system": "Cl-Pm",
"density": 3.2556544561841725,
"density_atomic": 0.031200011788458347,
"volume": 256.4101595294716,
"volume_molar": 19.301725912256668,
"formula_full": "Pm2 Cl6",
"formula_reduced": "PmCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0211810168749999,
"spacegroup": 194
},
{
"id": "jvasp-106043",
"created_at": "2022-09-04T14:36:08.684162Z",
"updated_at": "2022-09-04T14:36:08.684177Z",
"structure_string": "Li1 In2 Cu1 Te4\n1.0\n5.804291 0.022597 -5.206410\n-1.141655 5.690952 -5.206410\n-0.018440 -0.022597 7.797188\nLi In Cu Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 In\n0.500000 0.500000 -0.000000 In\n0.249999 0.750000 0.499999 Cu\n0.129228 0.097047 0.482596 Te\n0.614450 0.646632 0.517403 Te\n0.353367 0.870771 0.967818 Te\n0.902952 0.385549 0.032181 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"In",
"Cu",
"Te"
],
"chemical_system": "Cu-In-Li-Te",
"density": 5.2493212259205695,
"density_atomic": 0.03120173155147865,
"volume": 256.39602682950715,
"volume_molar": 19.300662048400355,
"formula_full": "Li1 In2 Cu1 Te4",
"formula_reduced": "LiIn2CuTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.3731826820833334,
"spacegroup": 82
},
{
"id": "jvasp-64421",
"created_at": "2022-09-04T14:36:21.485184Z",
"updated_at": "2022-09-04T14:36:21.485207Z",
"structure_string": "Ba4 Mg1 Nb1\n1.0\n-0.000000 5.042217 5.042217\n5.042217 0.000000 5.042217\n5.042217 5.042217 -0.000000\nBa Mg Nb\n4 1 1\ndirect\n0.123599 0.625468 0.625468 Ba\n0.625468 0.625468 0.625468 Ba\n0.625468 0.123599 0.625468 Ba\n0.625468 0.625468 0.123599 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Nb"
],
"chemical_system": "Ba-Mg-Nb",
"density": 4.316853263134148,
"density_atomic": 0.023402198447561775,
"volume": 256.3861687372849,
"volume_molar": 25.733226617550685,
"formula_full": "Ba4 Mg1 Nb1",
"formula_reduced": "Ba4MgNb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8285820549999999,
"spacegroup": 216
},
{
"id": "jvasp-48572",
"created_at": "2022-09-04T14:36:39.695678Z",
"updated_at": "2022-09-04T14:36:39.695717Z",
"structure_string": "Li4 Mn4 F14\n1.0\n3.134847 4.343781 0.165748\n-3.134847 4.343781 -0.165748\n-2.200929 0.000000 9.297025\nLi Mn F\n4 4 14\ndirect\n0.188514 0.752669 0.704346 Li\n0.247331 0.811485 0.204346 Li\n0.752669 0.188515 0.795654 Li\n0.811485 0.247331 0.295654 Li\n0.301717 0.292051 0.038508 Mn\n0.292051 0.301717 0.461491 Mn\n0.707949 0.698283 0.538508 Mn\n0.698282 0.707949 0.961491 Mn\n0.598280 0.363319 0.128224 F\n0.953697 0.328551 0.929894 F\n0.162987 0.162988 0.250000 F\n0.490525 0.119940 0.884072 F\n0.636681 0.401720 0.628224 F\n0.363318 0.598281 0.371776 F\n0.401719 0.636681 0.871775 F\n0.837012 0.837012 0.750000 F\n0.046303 0.671449 0.070106 F\n0.880060 0.509475 0.384073 F\n0.119939 0.490525 0.615927 F\n0.328550 0.953697 0.570106 F\n0.509475 0.880060 0.115927 F\n0.671449 0.046303 0.429894 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.3260119961589525,
"density_atomic": 0.08581479501742818,
"volume": 256.3660496483387,
"volume_molar": 7.0176019866702,
"formula_full": "Li4 Mn4 F14",
"formula_reduced": "Li2Mn2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7295751327507838,
"spacegroup": 15
},
{
"id": "jvasp-63518",
"created_at": "2022-09-04T14:36:09.843142Z",
"updated_at": "2022-09-04T14:36:09.843164Z",
"structure_string": "Dy2 Al2 B28\n1.0\n-2.952564 4.129443 5.256441\n2.952564 -4.129443 5.256441\n2.952564 4.129443 -5.256441\nDy Al B\n2 2 28\ndirect\n0.101358 0.749999 0.351358 Dy\n0.898641 0.250000 0.648641 Dy\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.867832 0.832767 0.035066 B\n0.127907 0.327469 0.296146 B\n0.468677 0.172530 0.800436 B\n0.531323 0.331759 0.703853 B\n0.872093 0.168241 0.199563 B\n0.872093 0.672530 0.703853 B\n0.531323 0.827469 0.199563 B\n0.468677 0.668240 0.296146 B\n0.127907 0.831758 0.800436 B\n0.722962 0.724615 0.325427 B\n0.100812 0.775384 0.998346 B\n0.899188 0.897535 0.674572 B\n0.277038 0.602465 0.001653 B\n0.277037 0.275384 0.674572 B\n0.899188 0.224616 0.001653 B\n0.722962 0.397535 0.998346 B\n0.744678 0.910298 0.834380 B\n0.424082 0.589701 0.834380 B\n0.575918 0.410298 0.165619 B\n0.255321 0.089702 0.165619 B\n0.486447 0.858613 0.627831 B\n0.269218 0.641385 0.627831 B\n0.730782 0.358614 0.372168 B\n0.513553 0.141386 0.372168 B\n0.297701 0.332766 0.964933 B\n0.132168 0.167233 0.964933 B\n0.702299 0.667233 0.035066 B\n0.100812 0.102465 0.325427 B\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"Al",
"B"
],
"chemical_system": "Al-B-Dy",
"density": 4.415515195120492,
"density_atomic": 0.1248266734218951,
"volume": 256.3554657252211,
"volume_molar": 4.82440218497699,
"formula_full": "Dy2 Al2 B28",
"formula_reduced": "DyAlB14",
"formula_anonymous": "ABC14",
"energy_above_hull": 5.119743466666667,
"spacegroup": 74
}
]
}