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=979",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=977",
"results": [
{
"id": "jvasp-30299",
"created_at": "2022-09-04T14:37:57.360282Z",
"updated_at": "2022-09-04T14:37:57.360318Z",
"structure_string": "Mn5 O9 F1\n1.0\n4.748116 -0.024463 -0.061989\n0.885273 4.954553 -0.116826\n1.839528 -2.742101 6.918487\nMn O F\n5 9 1\ndirect\n0.004297 0.197232 0.401681 Mn\n0.986553 0.001444 0.011057 Mn\n0.002517 0.592302 0.196368 Mn\n0.994377 0.791944 0.589778 Mn\n0.985122 0.420392 0.803808 Mn\n0.212070 0.208434 0.157224 O\n0.212847 0.809906 0.356924 O\n0.209268 0.412970 0.556214 O\n0.209036 0.614067 0.959914 O\n0.792278 0.385426 0.040236 O\n0.783758 -0.010245 0.242576 O\n0.784935 0.589616 0.443253 O\n0.794531 0.186572 0.642544 O\n0.787308 0.806095 0.842140 O\n0.238252 -0.005915 0.753006 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.483440156262042,
"density_atomic": 0.09253235895198396,
"volume": 162.10545337748994,
"volume_molar": 6.508145721352412,
"formula_full": "Mn5 O9 F1",
"formula_reduced": "Mn5O9F",
"formula_anonymous": "AB5C9",
"energy_above_hull": 3.420007199293104,
"spacegroup": 1
},
{
"id": "jvasp-4573",
"created_at": "2022-09-04T14:37:55.501967Z",
"updated_at": "2022-09-04T14:37:55.501990Z",
"structure_string": "B12 C3\n1.0\n5.976302 0.189841 3.002343\n1.932133 5.658540 3.002343\n0.256710 0.189841 6.683139\nB C\n12 3\ndirect\n0.496952 0.873451 0.496952 B\n0.496952 0.496952 0.873451 B\n0.873451 0.496952 0.496952 B\n0.126548 0.503048 0.503048 B\n0.503048 0.126549 0.503048 B\n0.503047 0.503048 0.126549 B\n0.342052 0.099105 0.342052 B\n0.342052 0.342052 0.099105 B\n0.099105 0.342052 0.342052 B\n0.900895 0.657948 0.657948 B\n0.657947 0.900895 0.657948 B\n0.657947 0.657948 0.900895 B\n0.415086 0.415086 0.415086 C\n0.584913 0.584913 0.584913 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 1.2682739451561178,
"density_atomic": 0.06911379685900111,
"volume": 217.03336644348255,
"volume_molar": 8.713369882262084,
"formula_full": "B12 C3",
"formula_reduced": "B4C",
"formula_anonymous": "AB4",
"energy_above_hull": 5.286978066666668,
"spacegroup": 166
},
{
"id": "jvasp-12770",
"created_at": "2022-09-04T14:38:03.499172Z",
"updated_at": "2022-09-04T14:38:03.499190Z",
"structure_string": "Li6 Th3 N6\n1.0\n3.210293 -5.560390 0.000000\n3.210293 5.560390 -0.000000\n0.000000 0.000000 5.496962\nLi Th N\n6 3 6\ndirect\n0.310126 0.369036 0.412119 Li\n0.058910 0.689874 0.412119 Li\n0.630963 0.941089 0.412119 Li\n0.369036 0.058911 0.587880 Li\n0.689873 0.630963 0.587880 Li\n0.941089 0.310125 0.587880 Li\n0.666667 0.333333 0.029703 Th\n0.333333 0.666667 0.970296 Th\n0.000000 0.000000 0.000000 Th\n0.670031 0.013036 0.770192 N\n0.986963 0.656995 0.770192 N\n0.343004 0.329968 0.770192 N\n0.329968 0.986963 0.229807 N\n0.656995 0.670031 0.229807 N\n0.013036 0.343005 0.229807 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Th",
"N"
],
"chemical_system": "Li-N-Th",
"density": 6.953649230697663,
"density_atomic": 0.07643435467393876,
"volume": 196.24683251384124,
"volume_molar": 7.878840327349977,
"formula_full": "Li6 Th3 N6",
"formula_reduced": "Li2ThN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.96178042,
"spacegroup": 147
},
{
"id": "jvasp-45861",
"created_at": "2022-09-04T14:38:02.014149Z",
"updated_at": "2022-09-04T14:38:02.014174Z",
"structure_string": "Li3 Fe1 Co3 O8\n1.0\n4.960520 1.464620 -2.423881\n1.603867 -5.432133 0.000000\n1.603867 -2.479292 -4.833341\nLi Fe Co O\n3 1 3 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 -0.000000 Co\n0.000001 0.500000 0.499999 Co\n0.211722 0.234877 0.023155 O\n0.211722 0.234877 0.530247 O\n0.211722 0.741969 0.023155 O\n0.218376 0.739458 0.521082 O\n0.781625 0.260542 0.478917 O\n0.788279 0.258031 0.976844 O\n0.788279 0.765123 0.469752 O\n0.788280 0.765123 0.976843 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.868277758511024,
"density_atomic": 0.11528301744033362,
"volume": 130.11456789603434,
"volume_molar": 5.223788285309972,
"formula_full": "Li3 Fe1 Co3 O8",
"formula_reduced": "Li3FeCo3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.764271746666666,
"spacegroup": 166
},
{
"id": "jvasp-46671",
"created_at": "2022-09-04T14:37:59.787967Z",
"updated_at": "2022-09-04T14:37:59.787997Z",
"structure_string": "Li3 Ti1 V3 O8\n1.0\n-4.028251 -0.001341 0.001041\n2.012124 6.056241 0.006530\n-0.001026 -1.967358 -6.224095\nLi Ti V O\n3 1 3 8\ndirect\n0.059570 0.115516 0.358081 Li\n0.824731 0.645851 0.996423 Li\n0.943319 0.883027 0.641554 Li\n0.707031 0.410459 0.288587 Ti\n0.607615 0.211616 0.693080 V\n0.290085 0.576570 0.702028 V\n0.389781 0.775933 0.299296 V\n0.659552 0.315498 0.004813 O\n0.561066 0.118496 0.355807 O\n0.116727 0.229841 0.674393 O\n0.777102 0.550598 0.671142 O\n0.226792 0.449970 0.349941 O\n0.882987 0.762344 0.315262 O\n0.437917 0.872224 0.632453 O\n0.347428 0.691248 0.998936 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.8240213682110733,
"density_atomic": 0.09883328684399803,
"volume": 151.7707290629374,
"volume_molar": 6.093231291098879,
"formula_full": "Li3 Ti1 V3 O8",
"formula_reduced": "Li3TiV3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.999754595555556,
"spacegroup": 8
},
{
"id": "jvasp-46764",
"created_at": "2022-09-04T14:38:01.885698Z",
"updated_at": "2022-09-04T14:38:01.885728Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n0.063540 -5.158264 -0.248357\n5.158166 -0.069312 -0.248358\n0.033647 -0.033685 6.617543\nLi Co Si O\n3 2 2 8\ndirect\n0.573884 0.093552 0.554541 Li\n0.906444 0.426109 0.445460 Li\n0.137381 0.862618 0.499997 Li\n0.812362 0.187637 -0.000001 Co\n0.198534 0.801467 -0.000002 Co\n0.333714 0.326595 0.251660 Si\n0.673407 0.666287 0.748336 Si\n0.190452 0.177540 0.047633 O\n0.651131 0.279755 0.245807 O\n0.230161 0.208682 0.454320 O\n0.720244 0.348867 0.754191 O\n0.242477 0.635231 0.244862 O\n0.791320 0.769838 0.545678 O\n0.364774 0.757528 0.755135 O\n0.822462 0.809548 0.952365 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.043852787470552,
"density_atomic": 0.08516428325679909,
"volume": 176.1301736641161,
"volume_molar": 7.071204652590349,
"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.6939751333333333,
"spacegroup": 5
},
{
"id": "jvasp-45237",
"created_at": "2022-09-04T14:38:01.415540Z",
"updated_at": "2022-09-04T14:38:01.415570Z",
"structure_string": "Li1 Ti1 V3 O10\n1.0\n6.596422 0.045765 0.121048\n0.045765 6.596422 -0.121048\n0.083620 -0.083620 4.516637\nLi Ti V O\n1 1 3 10\ndirect\n0.499252 0.999251 -0.000000 Li\n0.751373 0.251373 0.500001 Ti\n0.250319 0.750319 0.500000 V\n0.252408 0.250217 0.624384 V\n0.750218 0.752408 0.375617 V\n0.031627 0.759046 0.300540 O\n0.273772 0.224040 0.265135 O\n0.259047 0.531627 0.699460 O\n0.260324 0.959955 0.739122 O\n0.459956 0.760324 0.260878 O\n0.524215 0.235999 0.742585 O\n0.735998 0.024216 0.257417 O\n0.743701 0.483757 0.286932 O\n0.724039 0.773772 0.734866 O\n0.983757 0.243701 0.713069 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.1084366219825124,
"density_atomic": 0.07637959812848083,
"volume": 196.38752189777128,
"volume_molar": 7.884488669173074,
"formula_full": "Li1 Ti1 V3 O10",
"formula_reduced": "LiTiV3O10",
"formula_anonymous": "ABC3D10",
"energy_above_hull": 3.283688395555556,
"spacegroup": 5
},
{
"id": "jvasp-44552",
"created_at": "2022-09-04T14:38:01.526241Z",
"updated_at": "2022-09-04T14:38:01.526268Z",
"structure_string": "Li3 Cu3 Te1 O8\n1.0\n5.861060 -0.239966 0.076359\n2.679542 5.285814 0.273650\n2.901677 1.901536 5.221327\nLi Cu Te O\n3 3 1 8\ndirect\n-0.000000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.499999 0.000000 Cu\n0.000000 0.000000 0.000000 Te\n0.249232 0.282016 0.302726 O\n0.821480 0.212617 0.730949 O\n0.248218 0.772627 0.795785 O\n0.750768 0.717983 0.697275 O\n0.767140 0.766078 0.172453 O\n0.178520 0.787382 0.269052 O\n0.751782 0.227372 0.204215 O\n0.232860 0.233921 0.827548 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-Li-O-Te",
"density": 4.814363297525889,
"density_atomic": 0.09311333451145049,
"volume": 161.09400526468522,
"volume_molar": 6.4675385019741025,
"formula_full": "Li3 Cu3 Te1 O8",
"formula_reduced": "Li3Cu3TeO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 1.656587141111111,
"spacegroup": 2
},
{
"id": "jvasp-52269",
"created_at": "2022-09-04T14:38:12.741250Z",
"updated_at": "2022-09-04T14:38:12.741278Z",
"structure_string": "Li6 Cu1 F8\n1.0\n2.974925 4.917766 0.030600\n-2.772649 4.918844 0.000000\n-2.711679 -1.528517 4.988265\nLi Cu F\n6 1 8\ndirect\n0.310682 0.844658 0.467164 Li\n0.000001 0.499999 0.000000 Li\n0.000003 0.999998 -0.000001 Li\n0.500004 0.499997 0.000000 Li\n0.689317 0.155342 0.532834 Li\n0.500004 -0.000002 0.000000 Li\n-0.000000 0.500000 0.499996 Cu\n-0.000818 0.747214 0.265231 F\n0.558668 0.720664 0.817954 F\n0.447961 0.776020 0.224242 F\n-0.000817 0.253603 0.265231 F\n0.000819 0.746397 0.734769 F\n0.552044 0.223978 0.775758 F\n0.441335 0.279332 0.182045 F\n0.000820 0.252782 0.734769 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.01703564761435,
"density_atomic": 0.10597092345869985,
"volume": 141.54826164033537,
"volume_molar": 5.682823706209387,
"formula_full": "Li6 Cu1 F8",
"formula_reduced": "Li6CuF8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 0.1866034275,
"spacegroup": 12
},
{
"id": "jvasp-26813",
"created_at": "2022-09-04T14:38:27.223647Z",
"updated_at": "2022-09-04T14:38:27.223675Z",
"structure_string": "Na1 Zr2 Fe1 F11\n1.0\n5.340992 0.014318 2.029022\n1.010698 5.244510 2.029022\n0.002353 0.001948 7.849986\nNa Zr Fe F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.505337 0.505338 0.764981 Zr\n0.494663 0.494663 0.235019 Zr\n-0.000000 0.000000 0.500000 Fe\n0.812242 0.223265 0.689107 F\n0.776736 0.187758 0.310893 F\n0.187758 0.776736 0.310893 F\n0.223264 0.812243 0.689107 F\n0.500000 0.500000 0.500000 F\n0.328601 0.671399 -0.000000 F\n0.671399 0.328601 -0.000000 F\n0.247094 0.247095 0.348628 F\n0.752905 0.752906 0.651372 F\n0.266243 0.266244 0.891918 F\n0.733756 0.733756 0.108081 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Na-Zr",
"density": 3.553888655455274,
"density_atomic": 0.06826579193621296,
"volume": 219.7293779879663,
"volume_molar": 8.82160828900519,
"formula_full": "Na1 Zr2 Fe1 F11",
"formula_reduced": "NaZr2FeF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.5777864405000006,
"spacegroup": 12
},
{
"id": "jvasp-34747",
"created_at": "2022-09-04T14:38:12.719120Z",
"updated_at": "2022-09-04T14:38:12.719158Z",
"structure_string": "Mo6 Pb1 Se8\n1.0\n6.874417 0.013809 0.106426\n0.105005 6.873629 0.106425\n0.013993 0.013810 6.875227\nMo Pb Se\n6 1 8\ndirect\n0.240318 0.421677 0.561162 Mo\n0.578323 0.438839 0.759682 Mo\n0.438838 0.759681 0.578325 Mo\n0.759681 0.578324 0.438840 Mo\n0.421676 0.561161 0.240320 Mo\n0.561161 0.240319 0.421677 Mo\n0.000000 0.000000 0.000000 Pb\n0.880436 0.252754 0.617654 Se\n0.252753 0.617654 0.880437 Se\n0.617653 0.880436 0.252755 Se\n0.119564 0.747247 0.382347 Se\n0.747247 0.382347 0.119565 Se\n0.382346 0.119564 0.747247 Se\n0.756978 0.756979 0.756980 Se\n0.243021 0.243022 0.243022 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Mo",
"Pb",
"Se"
],
"chemical_system": "Mo-Pb-Se",
"density": 7.230852016635945,
"density_atomic": 0.04617666276259065,
"volume": 324.83941243480314,
"volume_molar": 13.041524440520524,
"formula_full": "Mo6 Pb1 Se8",
"formula_reduced": "Mo6PbSe8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.8835028768888886,
"spacegroup": 148
},
{
"id": "jvasp-22127",
"created_at": "2022-09-04T14:38:17.813422Z",
"updated_at": "2022-09-04T14:38:17.813441Z",
"structure_string": "Na1 Zr2 Zn1 F11\n1.0\n5.325843 0.013108 2.019990\n1.014824 5.228280 2.019990\n0.001701 0.001406 7.829418\nNa Zr Zn F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.506284 0.506286 0.764143 Zr\n0.493714 0.493716 0.235858 Zr\n-0.000000 0.000000 0.500000 Zn\n0.813829 0.222529 0.687457 F\n0.777471 0.186171 0.312543 F\n0.186170 0.777472 0.312543 F\n0.222527 0.813830 0.687457 F\n0.499999 0.500001 0.500000 F\n0.328040 0.671960 0.000000 F\n0.671959 0.328041 0.000000 F\n0.246249 0.246249 0.347865 F\n0.753750 0.753752 0.652135 F\n0.266767 0.266769 0.891484 F\n0.733231 0.733233 0.108516 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Zn",
"F"
],
"chemical_system": "F-Na-Zn-Zr",
"density": 3.6570149962121916,
"density_atomic": 0.06884655687047495,
"volume": 217.87581953038517,
"volume_molar": 8.747192356082243,
"formula_full": "Na1 Zr2 Zn1 F11",
"formula_reduced": "NaZr2ZnF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.1567741005000005,
"spacegroup": 12
}
]
}