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=362",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=360",
"results": [
{
"id": "jvasp-29594",
"created_at": "2022-09-04T14:37:05.549167Z",
"updated_at": "2022-09-04T14:37:05.549191Z",
"structure_string": "Cu4 Hg4 Se4 Cl4\n1.0\n4.230120 0.000000 0.000000\n0.000000 7.214025 0.000000\n0.000000 0.000000 12.847759\nCu Hg Se Cl\n4 4 4 4\ndirect\n0.500000 0.804924 0.473292 Cu\n0.500000 0.304925 0.026708 Cu\n0.500000 0.195075 0.526708 Cu\n0.500000 0.695075 0.973292 Cu\n0.000000 0.589312 0.250649 Hg\n0.000000 0.089312 0.249351 Hg\n0.000000 0.410687 0.749351 Hg\n0.000000 0.910687 0.750649 Hg\n0.000000 0.840458 0.391420 Se\n0.000000 0.659541 0.891420 Se\n0.000000 0.159541 0.608580 Se\n0.000000 0.340458 0.108580 Se\n0.500000 0.835791 0.128804 Cl\n0.500000 0.335791 0.371196 Cl\n0.500000 0.164209 0.871196 Cl\n0.500000 0.664208 0.628804 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"Se",
"Cl"
],
"chemical_system": "Cl-Cu-Hg-Se",
"density": 6.413180744957963,
"density_atomic": 0.04080959366296584,
"volume": 392.0646731290487,
"volume_molar": 14.756679053790757,
"formula_full": "Cu4 Hg4 Se4 Cl4",
"formula_reduced": "CuHgSeCl",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 55
},
{
"id": "jvasp-119020",
"created_at": "2022-09-04T14:38:52.707100Z",
"updated_at": "2022-09-04T14:38:52.707121Z",
"structure_string": "Tm10 Ga6\n1.0\n8.427758 0.000000 0.000000\n-4.213880 7.298652 0.000000\n-0.000000 -0.000000 6.372901\nTm Ga\n10 6\ndirect\n0.666667 0.333333 -0.000000 Tm\n0.333333 0.666667 -0.000000 Tm\n0.333333 0.666667 0.500000 Tm\n0.666667 0.333333 0.500000 Tm\n0.757695 0.757694 0.750000 Tm\n0.242306 -0.000000 0.750000 Tm\n-0.000000 0.242305 0.750000 Tm\n0.242306 0.242305 0.250000 Tm\n0.757695 -0.000000 0.250000 Tm\n-0.000000 0.757694 0.250000 Tm\n0.400602 0.400602 0.750000 Ga\n0.599399 -0.000000 0.750000 Ga\n-0.000000 0.599398 0.750000 Ga\n0.599398 0.599398 0.250000 Ga\n0.400602 -0.000000 0.250000 Ga\n-0.000000 0.400602 0.250000 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tm",
"Ga"
],
"chemical_system": "Ga-Tm",
"density": 8.92815881841122,
"density_atomic": 0.040815779700677145,
"volume": 392.00525182505714,
"volume_molar": 14.75444253218588,
"formula_full": "Tm10 Ga6",
"formula_reduced": "Tm5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.7853996249999999,
"spacegroup": 193
},
{
"id": "jvasp-32677",
"created_at": "2022-09-04T14:36:37.471142Z",
"updated_at": "2022-09-04T14:36:37.471171Z",
"structure_string": "H28 C6 N2 F10\n1.0\n5.970814 -0.053061 1.988746\n-0.065216 6.604996 0.714573\n-0.018484 -0.121249 9.920972\nH C N F\n28 6 2 10\ndirect\n0.499743 0.939591 0.805497 H\n0.428999 0.608261 0.244184 H\n0.766176 0.592052 0.663885 H\n0.776003 0.327217 0.058299 H\n0.406285 0.634268 0.631459 H\n0.251096 0.082568 0.034072 H\n0.927817 0.144247 0.784370 H\n0.630341 0.925654 0.616638 H\n0.369278 0.412406 0.147039 H\n0.807844 0.697990 0.390282 H\n0.500257 0.060410 0.194503 H\n0.233823 0.407948 0.336115 H\n0.223996 0.672784 0.941701 H\n0.180320 0.460324 0.853218 H\n0.748904 0.917432 0.965928 H\n0.819680 0.539676 0.146782 H\n0.096329 0.788344 0.470417 H\n0.593714 0.365733 0.368541 H\n0.072182 0.855754 0.215630 H\n0.369658 0.074347 0.383362 H\n0.661992 0.022340 0.315012 H\n0.630721 0.587595 0.852961 H\n0.074402 0.705958 0.814193 H\n0.903670 0.211657 0.529583 H\n0.338007 0.977661 0.684988 H\n0.192155 0.302011 0.609718 H\n0.925597 0.294042 0.185807 H\n0.571000 0.391739 0.755816 H\n0.612456 0.551830 0.751456 C\n0.477262 0.895710 0.707032 C\n0.790791 0.375820 0.157635 C\n0.387543 0.448170 0.248544 C\n0.209210 0.624180 0.842365 C\n0.522737 0.104291 0.292968 C\n0.575390 0.325945 0.274076 N\n0.424609 0.674056 0.725925 N\n0.646235 0.656444 0.421468 F\n0.353764 0.343557 0.578532 F\n0.967770 0.237864 0.655468 F\n0.912750 0.081836 0.886438 F\n0.872938 0.201681 0.438795 F\n0.644103 0.807145 0.016276 F\n0.355896 0.192855 0.983724 F\n0.127061 0.798320 0.561205 F\n0.087249 0.918164 0.113562 F\n0.032230 0.762137 0.344532 F\n",
"nsites": 46,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N",
"density": 1.348281063104289,
"density_atomic": 0.11734765818405789,
"volume": 391.99759681484016,
"volume_molar": 5.13187979478412,
"formula_full": "H28 C6 N2 F10",
"formula_reduced": "H14C3NF5",
"formula_anonymous": "AB3C5D14",
"energy_above_hull": 3.204238898369565,
"spacegroup": 2
},
{
"id": "jvasp-57086",
"created_at": "2022-09-04T14:37:49.646889Z",
"updated_at": "2022-09-04T14:37:49.646914Z",
"structure_string": "K2 Ti2 P2 S10\n1.0\n6.273909 0.001589 -0.812425\n-0.343538 6.583012 -2.640069\n0.001493 -0.021940 9.494851\nK Ti P S\n2 2 2 10\ndirect\n0.729919 0.229700 0.459401 K\n0.270080 0.770300 0.540599 K\n0.500000 0.777469 0.000000 Ti\n0.500000 0.222530 0.000000 Ti\n0.715627 0.634063 0.268127 P\n0.284372 0.365937 0.731873 P\n0.163600 0.648560 0.828528 S\n0.239148 0.251174 0.502349 S\n0.836399 0.351440 0.171472 S\n0.392960 0.586465 0.172930 S\n0.836399 0.820032 0.171472 S\n0.326009 0.063263 0.126527 S\n0.673990 0.936737 0.873474 S\n0.607040 0.413535 0.827070 S\n0.163600 0.179968 0.828529 S\n0.760851 0.748826 0.497651 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Ti",
"P",
"S"
],
"chemical_system": "K-P-S-Ti",
"density": 2.3587398440665175,
"density_atomic": 0.04083793864001841,
"volume": 391.7925471468603,
"volume_molar": 14.746436672733305,
"formula_full": "K2 Ti2 P2 S10",
"formula_reduced": "KTiPS5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.1084889791666668,
"spacegroup": 12
},
{
"id": "jvasp-112605",
"created_at": "2022-09-04T14:38:42.098120Z",
"updated_at": "2022-09-04T14:38:42.098130Z",
"structure_string": "Ba2 Nd2 Cu2 Te6\n1.0\n7.797322 0.016029 0.000000\n-6.509598 4.292275 0.000000\n-0.000000 -0.000000 11.669624\nBa Nd Cu Te\n2 2 2 6\ndirect\n0.250987 0.749015 0.250000 Ba\n0.749014 0.250987 0.750000 Ba\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.533351 0.466650 0.250000 Cu\n0.466650 0.533351 0.750000 Cu\n0.640943 0.359058 0.065599 Te\n0.359057 0.640944 0.934401 Te\n0.359057 0.640944 0.565598 Te\n0.640943 0.359058 0.434401 Te\n0.928126 0.071874 0.250000 Te\n0.071875 0.928127 0.750000 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Cu",
"Te"
],
"chemical_system": "Ba-Cu-Nd-Te",
"density": 6.170466773505509,
"density_atomic": 0.030629471417235293,
"volume": 391.7795327426893,
"volume_molar": 19.661262442195866,
"formula_full": "Ba2 Nd2 Cu2 Te6",
"formula_reduced": "BaNdCuTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.46507187,
"spacegroup": 63
},
{
"id": "jvasp-29463",
"created_at": "2022-09-04T14:36:32.997818Z",
"updated_at": "2022-09-04T14:36:32.997848Z",
"structure_string": "Si6 Bi4 O18\n1.0\n6.844076 -0.000000 -0.000000\n-3.422038 5.927144 0.000000\n0.000000 0.000000 9.655470\nSi Bi O\n6 4 18\ndirect\n0.218235 0.280783 0.750000 Si\n0.719217 0.937451 0.750000 Si\n0.781765 0.719217 0.250000 Si\n0.937452 0.218235 0.250000 Si\n0.062548 0.781765 0.750000 Si\n0.280783 0.062548 0.250000 Si\n0.333333 0.666667 0.471291 Bi\n0.333333 0.666667 0.028709 Bi\n0.666667 0.333333 0.528709 Bi\n0.666667 0.333333 0.971291 Bi\n0.071460 0.656245 0.608817 O\n0.415215 0.071461 0.108817 O\n0.751769 0.946055 0.250000 O\n0.656246 0.584785 0.391183 O\n0.656246 0.584785 0.108817 O\n0.071460 0.656245 0.891183 O\n0.415215 0.071461 0.391183 O\n0.805715 0.751769 0.750000 O\n0.946056 0.194285 0.750000 O\n0.928540 0.343754 0.108817 O\n0.928540 0.343754 0.391183 O\n0.053944 0.805714 0.250000 O\n0.343754 0.415215 0.608817 O\n0.343754 0.415215 0.891183 O\n0.584785 0.928539 0.608817 O\n0.194285 0.248231 0.250000 O\n0.248231 0.053945 0.750000 O\n0.584785 0.928539 0.891183 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si",
"density": 5.479239998138944,
"density_atomic": 0.07148654544000962,
"volume": 391.6820966470838,
"volume_molar": 8.424159711359511,
"formula_full": "Si6 Bi4 O18",
"formula_reduced": "Si3Bi2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.73292685,
"spacegroup": 176
},
{
"id": "jvasp-109266",
"created_at": "2022-09-04T14:38:27.654049Z",
"updated_at": "2022-09-04T14:38:27.654075Z",
"structure_string": "Ba6 Dy2\n1.0\n8.260564 0.000000 0.000000\n-4.130282 7.153858 0.000000\n-0.000000 -0.000000 6.627084\nBa Dy\n6 2\ndirect\n0.171566 0.343132 0.250000 Ba\n0.656868 0.828434 0.250000 Ba\n0.171566 0.828434 0.250000 Ba\n0.828434 0.656868 0.750000 Ba\n0.343132 0.171566 0.750000 Ba\n0.828434 0.171566 0.750000 Ba\n0.333333 0.666667 0.750000 Dy\n0.666666 0.333333 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Dy"
],
"chemical_system": "Ba-Dy",
"density": 4.871719464203063,
"density_atomic": 0.020427607086606018,
"volume": 391.62687857088474,
"volume_molar": 29.480402351916194,
"formula_full": "Ba6 Dy2",
"formula_reduced": "Ba3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2114286024999999,
"spacegroup": 194
},
{
"id": "jvasp-27534",
"created_at": "2022-09-04T14:38:35.911788Z",
"updated_at": "2022-09-04T14:38:35.911811Z",
"structure_string": "Sr2 P12 Pt8\n1.0\n5.814618 0.000806 0.050244\n0.192227 5.811440 0.050244\n-0.007541 -0.007296 11.588201\nSr P Pt\n2 12 8\ndirect\n0.597912 0.402089 0.250000 Sr\n0.402089 0.597912 0.750000 Sr\n0.129821 0.089453 0.305365 P\n0.608863 0.116376 0.948766 P\n0.116376 0.608862 0.448766 P\n0.391138 0.883625 0.051233 P\n0.615779 0.885576 0.446900 P\n0.883625 0.391138 0.551233 P\n0.384222 0.114425 0.553099 P\n0.885576 0.615778 0.946900 P\n0.089454 0.129820 0.805365 P\n0.870180 0.910547 0.694635 P\n0.910547 0.870180 0.194635 P\n0.114425 0.384222 0.053099 P\n0.506706 0.922687 0.249781 Pt\n0.922687 0.506706 0.749781 Pt\n0.493295 0.077313 0.750218 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.000000 -0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.077314 0.493295 0.250218 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"P",
"Pt"
],
"chemical_system": "P-Pt-Sr",
"density": 8.93743705778744,
"density_atomic": 0.05618223063568522,
"volume": 391.58288574655273,
"volume_molar": 10.7189420780579,
"formula_full": "Sr2 P12 Pt8",
"formula_reduced": "Sr(P3Pt2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.9816522645454544,
"spacegroup": 15
},
{
"id": "jvasp-45322",
"created_at": "2022-09-04T14:36:47.947134Z",
"updated_at": "2022-09-04T14:36:47.947157Z",
"structure_string": "Sr2 P12 Pt8\n1.0\n5.814618 0.000806 0.050244\n0.192227 5.811440 0.050244\n-0.007541 -0.007296 11.588201\nSr P Pt\n2 12 8\ndirect\n0.597912 0.402089 0.250000 Sr\n0.402089 0.597912 0.750000 Sr\n0.129821 0.089453 0.305365 P\n0.608863 0.116376 0.948766 P\n0.116376 0.608862 0.448766 P\n0.391138 0.883625 0.051233 P\n0.615779 0.885576 0.446900 P\n0.883625 0.391138 0.551233 P\n0.384222 0.114425 0.553099 P\n0.885576 0.615778 0.946900 P\n0.089454 0.129820 0.805365 P\n0.870180 0.910547 0.694635 P\n0.910547 0.870180 0.194635 P\n0.114425 0.384222 0.053099 P\n0.506706 0.922687 0.249781 Pt\n0.922687 0.506706 0.749781 Pt\n0.493295 0.077313 0.750218 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.000000 -0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.077314 0.493295 0.250218 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"P",
"Pt"
],
"chemical_system": "P-Pt-Sr",
"density": 8.93743705778744,
"density_atomic": 0.05618223063568522,
"volume": 391.58288574655273,
"volume_molar": 10.7189420780579,
"formula_full": "Sr2 P12 Pt8",
"formula_reduced": "Sr(P3Pt2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.9816522645454544,
"spacegroup": 15
},
{
"id": "jvasp-28618",
"created_at": "2022-09-04T14:38:07.639215Z",
"updated_at": "2022-09-04T14:38:07.639237Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n3.372049 0.000000 0.000000\n-1.686025 2.920283 0.000148\n0.000000 0.001993 39.744821\nTe Mo W S\n4 2 2 4\ndirect\n0.333394 0.666787 0.328169 Te\n0.666624 0.333245 0.423442 Te\n0.666555 0.333107 0.518680 Te\n0.333464 0.666927 0.232344 Te\n0.333335 0.666669 0.093998 Mo\n0.333253 0.666504 0.471047 Mo\n0.666763 0.333525 0.280274 W\n0.666651 0.333299 0.657599 W\n0.333290 0.666580 0.695784 S\n0.666690 0.333379 0.055971 S\n0.666645 0.333289 0.132083 S\n0.333339 0.666679 0.619355 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.083774757512517,
"density_atomic": 0.030660687211819405,
"volume": 391.38066009734166,
"volume_molar": 19.64124521539922,
"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.549083572222222,
"spacegroup": 156
},
{
"id": "jvasp-49229",
"created_at": "2022-09-04T14:38:36.463768Z",
"updated_at": "2022-09-04T14:38:36.463798Z",
"structure_string": "Ca4 Al6 Te1 O12\n1.0\n7.524552 0.000000 -2.660331\n-3.762276 6.516453 -2.660331\n-0.000000 -0.000000 7.980993\nCa Al Te O\n4 6 1 12\ndirect\n0.610947 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.610947 Ca\n0.389052 0.389053 0.389053 Ca\n-0.000000 0.610947 -0.000000 Ca\n0.499999 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.749999 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Te\n0.416028 0.715181 -0.000000 O\n-0.000000 0.416028 0.715181 O\n0.715181 0.416028 -0.000000 O\n-0.000001 0.715181 0.416028 O\n0.700846 0.284818 0.284818 O\n0.284818 0.700847 0.284818 O\n0.715181 0.000000 0.416028 O\n0.299153 0.583971 0.583971 O\n0.583971 0.299153 0.583971 O\n0.284818 0.284818 0.700847 O\n0.583971 0.583971 0.299153 O\n0.416028 0.000000 0.715181 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Te",
"O"
],
"chemical_system": "Al-Ca-O-Te",
"density": 2.7233027620049293,
"density_atomic": 0.0587731531535847,
"volume": 391.33513799909474,
"volume_molar": 10.246414284193797,
"formula_full": "Ca4 Al6 Te1 O12",
"formula_reduced": "Ca4Al6TeO12",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 1.9769529672463768,
"spacegroup": 217
},
{
"id": "jvasp-98317",
"created_at": "2022-09-04T14:35:42.292364Z",
"updated_at": "2022-09-04T14:35:42.292381Z",
"structure_string": "Na4 Cl4 O12\n1.0\n7.406877 -0.497636 0.582470\n-0.520159 6.989922 -0.609020\n0.549031 -0.546771 7.681305\nNa Cl O\n4 4 12\ndirect\n0.589971 0.508886 0.090099 Na\n0.573585 0.890168 0.465430 Na\n0.088644 0.407661 0.590188 Na\n0.955563 0.901669 0.116553 Na\n0.962170 0.539452 0.923648 Cl\n0.433918 0.494042 0.436468 Cl\n0.926251 0.053570 0.468344 Cl\n0.605403 0.894473 0.121462 Cl\n0.309582 0.823708 0.852528 O\n0.198378 0.753761 0.223755 O\n0.785756 0.625979 0.630582 O\n0.316487 0.906506 0.720240 O\n0.712504 0.768602 0.710901 O\n-0.082040 0.424187 0.309376 O\n0.153786 0.200478 0.025583 O\n0.653056 0.175208 0.798551 O\n0.554384 0.300278 0.787363 O\n0.297498 0.233316 0.095590 O\n0.183645 0.763420 0.387871 O\n0.781460 0.334627 0.245473 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 1.8066533079782763,
"density_atomic": 0.051107767068074746,
"volume": 391.32995134301825,
"volume_molar": 11.783220252958033,
"formula_full": "Na4 Cl4 O12",
"formula_reduced": "NaClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3723737423333329,
"spacegroup": 1
}
]
}