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=594",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=592",
"results": [
{
"id": "jvasp-12126",
"created_at": "2022-09-04T14:36:44.763732Z",
"updated_at": "2022-09-04T14:36:44.763757Z",
"structure_string": "Nb4 S12\n1.0\n4.981438 0.001006 -0.613289\n0.001798 6.819227 0.004199\n0.023192 0.006106 9.243043\nNb S\n4 12\ndirect\n0.281997 0.148389 0.646577 Nb\n0.284961 0.598135 0.655892 Nb\n0.718004 0.851612 0.353423 Nb\n0.715039 0.401867 0.344108 Nb\n0.466409 0.633188 0.162367 S\n0.240473 0.866208 0.456199 S\n0.235540 0.385471 0.436842 S\n0.764461 0.614531 0.563158 S\n0.130883 0.367610 0.845000 S\n0.759527 0.133794 0.543801 S\n0.477680 0.122798 0.186159 S\n0.522320 0.877204 0.813841 S\n0.533592 0.366814 0.837633 S\n0.869118 0.632391 0.154999 S\n0.880884 0.123457 0.184243 S\n0.119117 0.876545 0.815756 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nb",
"S"
],
"chemical_system": "Nb-S",
"density": 3.999125264802522,
"density_atomic": 0.05094261135447184,
"volume": 314.0789130079703,
"volume_molar": 11.821421399261201,
"formula_full": "Nb4 S12",
"formula_reduced": "NbS3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5752773500000004,
"spacegroup": 2
},
{
"id": "jvasp-24279",
"created_at": "2022-09-04T14:38:18.091445Z",
"updated_at": "2022-09-04T14:38:18.091456Z",
"structure_string": "Ni4 Hg4 S2 F12\n1.0\n6.607200 0.000000 3.814668\n2.202399 6.229328 3.814668\n0.000000 0.000000 7.629338\nNi Hg S F\n4 4 2 12\ndirect\n-0.000000 -0.000000 0.500000 Ni\n0.500000 -0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 -0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.625000 0.625000 0.625000 S\n0.375000 0.375000 0.375000 S\n0.312634 0.312635 0.937366 F\n0.937366 0.312635 0.312635 F\n0.937366 0.312635 0.937366 F\n0.312635 0.937366 0.312635 F\n0.062634 0.687366 0.062635 F\n0.062634 0.687366 0.687366 F\n0.687366 0.687366 0.062635 F\n0.687366 0.062635 0.687366 F\n0.312635 0.937366 0.937366 F\n0.687366 0.062635 0.062635 F\n0.062634 0.062635 0.687366 F\n0.937366 0.937366 0.312635 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ni",
"Hg",
"S",
"F"
],
"chemical_system": "F-Hg-Ni-S",
"density": 7.0292411315570025,
"density_atomic": 0.07006113571613695,
"volume": 314.0114669156414,
"volume_molar": 8.595551154636707,
"formula_full": "Ni4 Hg4 S2 F12",
"formula_reduced": "Ni2Hg2SF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-49295",
"created_at": "2022-09-04T14:38:32.893983Z",
"updated_at": "2022-09-04T14:38:32.894010Z",
"structure_string": "Sr6 Er2 Rh2 O12\n1.0\n6.796958 -0.000588 -0.251755\n-0.261230 6.791936 -0.251755\n-0.000565 -0.000588 6.801618\nSr Er Rh O\n6 2 2 12\ndirect\n0.750000 0.380227 0.119774 Sr\n0.119773 0.750000 0.380228 Sr\n0.380228 0.119773 0.750001 Sr\n0.880228 0.250000 0.619774 Sr\n0.250001 0.619773 0.880228 Sr\n0.619773 0.880227 0.250001 Sr\n0.250000 0.250000 0.250000 Er\n0.750001 0.750000 0.750001 Er\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500000 0.500001 Rh\n0.091449 0.292316 0.957639 O\n0.792317 0.591448 0.457640 O\n0.542362 0.207684 0.408553 O\n0.408552 0.542361 0.207685 O\n0.207684 0.408552 0.542362 O\n0.707685 0.042361 0.908553 O\n0.908552 0.707684 0.042363 O\n0.042362 0.908552 0.707685 O\n0.457639 0.792316 0.591449 O\n0.591449 0.457638 0.792317 O\n0.957639 0.091448 0.292317 O\n0.292316 0.957639 0.091449 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Er",
"Rh",
"O"
],
"chemical_system": "Er-O-Rh-Sr",
"density": 6.653160296255144,
"density_atomic": 0.07006586680730578,
"volume": 313.9902637685781,
"volume_molar": 8.59497075310866,
"formula_full": "Sr6 Er2 Rh2 O12",
"formula_reduced": "Sr3ErRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6149184481818175,
"spacegroup": 167
},
{
"id": "jvasp-122551",
"created_at": "2022-09-04T14:38:51.178241Z",
"updated_at": "2022-09-04T14:38:51.178316Z",
"structure_string": "Ca1 Sn7\n1.0\n6.796718 -0.000000 -0.000000\n-0.000000 6.796718 0.000000\n-0.000000 -0.000000 6.796718\nCa Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Ca\n0.260417 0.260417 0.760417 Sn\n0.000000 0.500000 0.000000 Sn\n0.260417 0.739583 0.239583 Sn\n0.500000 0.000000 0.000000 Sn\n0.739583 0.260417 0.239583 Sn\n0.500000 0.500000 0.500000 Sn\n0.739583 0.739583 0.760417 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 4.606737137530331,
"density_atomic": 0.025479578159747173,
"volume": 313.9769406637375,
"volume_molar": 23.63516665088994,
"formula_full": "Ca1 Sn7",
"formula_reduced": "CaSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.4655562750000001,
"spacegroup": 215
},
{
"id": "jvasp-9248",
"created_at": "2022-09-04T14:38:10.235175Z",
"updated_at": "2022-09-04T14:38:10.235205Z",
"structure_string": "Ca4 Sn4 O8\n1.0\n3.487412 -0.116992 0.204891\n1.447712 8.758904 -0.154358\n2.068566 0.173481 10.335751\nCa Sn O\n4 4 8\ndirect\n0.147447 0.145542 0.065044 Ca\n0.849352 0.882965 0.914468 Ca\n0.024630 0.206930 0.728112 Ca\n-0.027651 0.821573 0.251404 Ca\n0.648322 0.485834 0.151884 Sn\n0.123071 0.193888 0.386651 Sn\n0.873847 0.834617 0.592866 Sn\n0.348630 0.542663 0.827624 Sn\n0.849009 0.677918 0.747946 O\n0.511340 0.665801 0.272136 O\n0.485658 0.362705 0.707361 O\n0.147934 0.350577 0.231564 O\n0.243919 0.886965 0.048020 O\n0.732063 0.085044 0.292718 O\n0.752878 0.141542 0.931489 O\n0.264872 0.943458 0.686802 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 4.0366134446943125,
"density_atomic": 0.05096590406895721,
"volume": 313.93537095607866,
"volume_molar": 11.816018709002009,
"formula_full": "Ca4 Sn4 O8",
"formula_reduced": "CaSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6778617416666664,
"spacegroup": 2
},
{
"id": "jvasp-37973",
"created_at": "2022-09-04T14:38:07.533010Z",
"updated_at": "2022-09-04T14:38:07.533041Z",
"structure_string": "Ag4 As4 Se4\n1.0\n4.109672 0.000000 0.000000\n0.000000 6.194677 0.000000\n0.000000 0.000000 12.330117\nAg As Se\n4 4 4\ndirect\n0.752377 0.927190 0.838452 Ag\n0.752377 0.572811 0.338452 Ag\n0.252378 0.427190 0.661548 Ag\n0.252378 0.072811 0.161548 Ag\n0.752260 0.874168 0.485338 As\n0.752260 0.625833 0.985338 As\n0.252261 0.374168 0.014662 As\n0.252261 0.125832 0.514662 As\n0.752361 0.807197 0.158388 Se\n0.752361 0.692804 0.658388 Se\n0.252361 0.307197 0.341612 Se\n0.252361 0.192804 0.841612 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"As",
"Se"
],
"chemical_system": "Ag-As-Se",
"density": 5.538630867008107,
"density_atomic": 0.03822858475192366,
"volume": 313.9012358911916,
"volume_molar": 15.752978560622667,
"formula_full": "Ag4 As4 Se4",
"formula_reduced": "AgAsSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0085707922222222,
"spacegroup": 62
},
{
"id": "jvasp-113253",
"created_at": "2022-09-04T14:38:47.692120Z",
"updated_at": "2022-09-04T14:38:47.692145Z",
"structure_string": "V10 O15 F5\n1.0\n4.647773 0.006977 0.000000\n-0.271666 4.639832 0.000000\n-0.000000 -0.000000 14.553927\nV O F\n10 15 5\ndirect\n0.979367 0.020634 0.199365 V\n0.527232 0.472768 0.299437 V\n0.521558 0.478442 0.899863 V\n0.521558 0.478442 0.100137 V\n0.460587 0.539413 0.500000 V\n0.527232 0.472768 0.700564 V\n0.982727 0.017273 -0.000000 V\n0.998478 0.001523 0.600697 V\n0.998478 0.001523 0.399303 V\n0.979367 0.020634 0.800635 V\n0.695849 0.701800 0.599455 O\n0.191618 0.808381 0.500000 O\n0.704787 0.698941 0.799335 O\n0.704128 0.698855 -0.000000 O\n0.704787 0.698941 0.200665 O\n0.695849 0.701800 0.400545 O\n0.301059 0.295212 0.799335 O\n0.298200 0.304150 0.599455 O\n0.301059 0.295212 0.200665 O\n0.298200 0.304150 0.400545 O\n0.799864 0.200136 0.099825 O\n0.801302 0.198698 0.299235 O\n0.799864 0.200136 0.900175 O\n0.801302 0.198698 0.700765 O\n0.301145 0.295871 -0.000000 O\n0.202943 0.797056 0.700275 F\n0.793285 0.206714 0.500000 F\n0.202943 0.797056 0.299725 F\n0.202607 0.797392 0.100238 F\n0.202607 0.797392 0.899762 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.4671524611969735,
"density_atomic": 0.09557751350876685,
"volume": 313.88136077894774,
"volume_molar": 6.300792455170555,
"formula_full": "V10 O15 F5",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4761181970833337,
"spacegroup": 38
},
{
"id": "jvasp-9253",
"created_at": "2022-09-04T14:38:11.237599Z",
"updated_at": "2022-09-04T14:38:11.237608Z",
"structure_string": "Ca4 Sn4 O8\n1.0\n3.492449 0.142677 -0.017402\n1.992593 8.892109 -0.190080\n0.846414 0.241359 10.191800\nCa Sn O\n4 4 8\ndirect\n0.357026 0.854660 0.934837 Ca\n0.647023 0.117133 0.085250 Ca\n0.960347 0.792907 0.271870 Ca\n0.043606 0.178890 0.748223 Ca\n0.284576 0.514464 0.847949 Sn\n0.699801 0.806760 0.613164 Sn\n0.304122 0.165051 0.406918 Sn\n0.719345 0.457340 0.172125 Sn\n0.276214 0.321947 0.251786 O\n0.447280 0.334710 0.727657 O\n0.556675 0.637084 0.292426 O\n0.727710 0.649847 0.768282 O\n0.178045 0.113243 0.951704 O\n0.106870 0.915456 0.707072 O\n0.826003 0.858552 0.068383 O\n0.897062 0.056342 0.313021 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 4.03743948016127,
"density_atomic": 0.050976333515557276,
"volume": 313.8711416959209,
"volume_molar": 11.813601223717132,
"formula_full": "Ca4 Sn4 O8",
"formula_reduced": "CaSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6778342416666664,
"spacegroup": 2
},
{
"id": "jvasp-55312",
"created_at": "2022-09-04T14:36:43.741763Z",
"updated_at": "2022-09-04T14:36:43.741778Z",
"structure_string": "Tl2 V4 Ag2 O12\n1.0\n5.827117 0.045508 0.958436\n1.174022 7.298772 0.399636\n0.078908 0.028966 7.402908\nTl V Ag O\n2 4 2 12\ndirect\n0.250000 0.287894 0.712107 Tl\n0.750000 0.712106 0.287895 Tl\n0.717143 0.630134 0.795639 V\n0.782858 0.204362 0.369867 V\n0.282858 0.369867 0.204362 V\n0.217142 0.795639 0.630134 V\n0.250000 0.894408 0.105593 Ag\n0.750001 0.105593 0.894409 Ag\n0.351774 0.201420 0.050428 O\n0.148226 0.949572 0.798581 O\n0.480178 0.640776 0.666773 O\n0.727555 0.098996 0.575211 O\n0.772446 0.424790 0.901005 O\n0.272446 0.901005 0.424790 O\n0.227554 0.575211 0.098996 O\n0.980179 0.666773 0.640777 O\n0.519822 0.359225 0.333228 O\n0.019822 0.333228 0.359225 O\n0.851774 0.050428 0.201421 O\n0.648226 0.798580 0.949573 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-O-Tl-V",
"density": 5.397715822275791,
"density_atomic": 0.06372051658791357,
"volume": 313.8706506311278,
"volume_molar": 9.45086619266717,
"formula_full": "Tl2 V4 Ag2 O12",
"formula_reduced": "TlV2AgO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4725679260000004,
"spacegroup": 15
},
{
"id": "jvasp-95175",
"created_at": "2022-09-04T14:35:56.552594Z",
"updated_at": "2022-09-04T14:35:56.552615Z",
"structure_string": "K4 N4 O4 F8\n1.0\n6.302075 0.000000 0.000000\n0.000000 6.890843 0.000000\n0.000000 0.000000 7.227023\nK N O F\n4 4 4 8\ndirect\n0.750001 0.885230 0.617170 K\n0.750001 0.385230 0.882829 K\n0.250000 0.614770 0.117171 K\n0.250000 0.114770 0.382829 K\n0.250000 0.019857 0.795351 N\n0.750001 0.980143 0.204648 N\n0.250000 0.519857 0.704648 N\n0.750001 0.480143 0.295352 N\n0.250000 0.050671 0.949431 O\n0.750001 0.949329 0.050569 O\n0.750001 0.449329 0.449431 O\n0.250000 0.550671 0.550568 O\n0.481253 0.672085 0.812030 F\n0.981254 0.327914 0.187970 F\n0.018747 0.672085 0.812030 F\n0.981254 0.827914 0.312030 F\n0.481253 0.172086 0.687970 F\n0.518747 0.827914 0.312030 F\n0.018747 0.172086 0.687970 F\n0.518747 0.327914 0.187970 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"N",
"O",
"F"
],
"chemical_system": "F-K-N-O",
"density": 2.266668933276088,
"density_atomic": 0.06372570317389473,
"volume": 313.84510494021526,
"volume_molar": 9.45009699393474,
"formula_full": "K4 N4 O4 F8",
"formula_reduced": "KNOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.057411063,
"spacegroup": 62
},
{
"id": "jvasp-119392",
"created_at": "2022-09-04T14:38:32.363861Z",
"updated_at": "2022-09-04T14:38:32.363893Z",
"structure_string": "V10 O15 F5\n1.0\n4.647460 0.012440 0.000000\n-0.275098 4.639328 0.000000\n-0.000000 -0.000000 14.552857\nV O F\n10 15 5\ndirect\n0.998208 0.001792 0.300106 V\n0.470561 0.529439 0.400713 V\n0.522429 0.477571 -0.000000 V\n0.528641 0.471359 0.199493 V\n0.470561 0.529439 0.599288 V\n0.528641 0.471359 0.800508 V\n0.981680 0.018319 0.099473 V\n0.998208 0.001792 0.699894 V\n0.019526 0.980474 0.500000 V\n0.981680 0.018319 0.900527 V\n0.695785 0.708483 0.500000 O\n0.195646 0.804355 0.400706 O\n0.195646 0.804355 0.599294 O\n0.706155 0.697370 0.899626 O\n0.706155 0.697370 0.100374 O\n0.698439 0.699951 0.300114 O\n0.698439 0.699951 0.699886 O\n0.291518 0.304215 0.500000 O\n0.302630 0.293845 0.100374 O\n0.300049 0.301561 0.300114 O\n0.300049 0.301561 0.699886 O\n0.803400 0.196600 0.199145 O\n0.800730 0.199270 -0.000000 O\n0.803400 0.196600 0.800855 O\n0.302630 0.293845 0.899626 O\n0.203748 0.796252 0.799881 F\n0.793640 0.206360 0.599643 F\n0.793640 0.206360 0.400357 F\n0.203748 0.796252 0.200119 F\n0.204411 0.795589 -0.000000 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.467950721166901,
"density_atomic": 0.09559459277877655,
"volume": 313.82528161844374,
"volume_molar": 6.2996667331763625,
"formula_full": "V10 O15 F5",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4759181970833337,
"spacegroup": 38
},
{
"id": "jvasp-21401",
"created_at": "2022-09-04T14:36:49.985034Z",
"updated_at": "2022-09-04T14:36:49.985055Z",
"structure_string": "Na2 Sr6 Ir2 O12\n1.0\n6.795530 -0.001795 -0.096391\n-0.097743 6.794827 -0.096391\n-0.001769 -0.001795 6.796213\nNa Sr Ir O\n2 6 2 12\ndirect\n0.750000 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.891388 0.608613 0.250000 Sr\n0.250000 0.891389 0.608612 Sr\n0.608612 0.250001 0.891388 Sr\n0.108612 0.391389 0.750000 Sr\n0.750000 0.108613 0.391388 Sr\n0.391388 0.750001 0.108612 Sr\n0.500000 0.500001 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.944692 0.280619 0.078053 O\n0.780618 0.444693 0.578053 O\n0.421947 0.219383 0.555308 O\n0.555309 0.421948 0.219382 O\n0.219382 0.555309 0.421947 O\n0.719382 0.921948 0.055309 O\n0.055309 0.719383 0.921947 O\n0.921947 0.055310 0.719382 O\n0.578053 0.780619 0.444692 O\n0.444692 0.578054 0.780618 O\n0.078053 0.944692 0.280618 O\n0.280618 0.078054 0.944691 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Ir",
"O"
],
"chemical_system": "Ir-Na-O-Sr",
"density": 6.07540119958892,
"density_atomic": 0.0701065936376337,
"volume": 313.80785826955724,
"volume_molar": 8.589977700424562,
"formula_full": "Na2 Sr6 Ir2 O12",
"formula_reduced": "NaSr3IrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6241409118181818,
"spacegroup": 167
}
]
}