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=density&page=718",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=716",
"results": [
{
"id": "jvasp-8094",
"created_at": "2022-09-04T14:37:07.084043Z",
"updated_at": "2022-09-04T14:37:07.084058Z",
"structure_string": "Na1 Cr1 S2\n1.0\n3.401791 -0.035958 5.826091\n1.548846 3.028952 5.826091\n-0.059478 -0.035958 6.746257\nNa Cr S\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.733511 0.733508 0.733510 S\n0.266491 0.266490 0.266491 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cr",
"S"
],
"chemical_system": "Cr-Na-S",
"density": 3.2381874885601465,
"density_atomic": 0.056070730021086666,
"volume": 71.33846836835743,
"volume_molar": 10.740257452926397,
"formula_full": "Na1 Cr1 S2",
"formula_reduced": "NaCrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7031891000000003,
"spacegroup": 166
},
{
"id": "jvasp-1738",
"created_at": "2022-09-04T14:35:45.229215Z",
"updated_at": "2022-09-04T14:35:45.229235Z",
"structure_string": "Rb2 Se1\n1.0\n4.900764 0.000000 2.829457\n1.633588 4.620485 2.829457\n0.000000 0.000000 5.658915\nRb Se\n2 1\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 3.2383455031908452,
"density_atomic": 0.023411903758770895,
"volume": 128.13994243744906,
"volume_molar": 25.722559011220525,
"formula_full": "Rb2 Se1",
"formula_reduced": "Rb2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22532",
"created_at": "2022-09-04T14:37:00.896421Z",
"updated_at": "2022-09-04T14:37:00.896447Z",
"structure_string": "Br2 F10\n1.0\n4.874894 -0.020302 -0.000000\n-0.605147 4.837231 -0.000000\n-0.000000 0.000000 7.610269\nBr F\n2 10\ndirect\n0.829949 0.170051 0.254737 Br\n0.170049 0.829950 0.754737 Br\n0.098023 0.467556 0.244631 F\n0.901975 0.532444 0.744631 F\n0.338668 0.661332 0.590925 F\n0.661331 0.338669 0.090925 F\n0.355562 0.644437 0.910840 F\n0.644436 0.355563 0.410840 F\n0.006377 0.993623 0.564238 F\n0.993622 0.006378 0.064238 F\n0.467556 0.098024 0.744631 F\n0.532443 0.901976 0.244631 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Br",
"F"
],
"chemical_system": "Br-F",
"density": 3.238346558946875,
"density_atomic": 0.06690299502664183,
"volume": 179.36416740717524,
"volume_molar": 9.001302195218447,
"formula_full": "Br2 F10",
"formula_reduced": "BrF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-15985",
"created_at": "2022-09-04T14:35:43.318462Z",
"updated_at": "2022-09-04T14:35:43.318492Z",
"structure_string": "Rb6 As2\n1.0\n3.028910 -5.246226 0.000000\n3.028910 5.246226 -0.000000\n-0.000000 -0.000000 10.691612\nRb As\n6 2\ndirect\n0.333333 0.666667 0.580342 Rb\n0.666667 0.333333 0.080342 Rb\n0.666667 0.333333 0.419658 Rb\n0.333333 0.666667 0.919658 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"As"
],
"chemical_system": "As-Rb",
"density": 3.238372104779985,
"density_atomic": 0.02354417282726265,
"volume": 339.786836373224,
"volume_molar": 25.578051962933035,
"formula_full": "Rb6 As2",
"formula_reduced": "Rb3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-104495",
"created_at": "2022-09-04T14:38:45.536211Z",
"updated_at": "2022-09-04T14:38:45.536235Z",
"structure_string": "Na2 Y1 Cu1 F6\n1.0\n5.279453 -0.000000 3.048094\n1.759818 4.977516 3.048094\n-0.000000 -0.000000 6.096188\nNa Y Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750001 0.749999 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Cu\n0.249168 0.249169 0.750831 F\n0.249168 0.750832 0.750831 F\n0.750831 0.750832 0.249168 F\n0.249168 0.750832 0.249168 F\n0.750831 0.249169 0.750831 F\n0.750831 0.249169 0.249168 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Y",
"Cu",
"F"
],
"chemical_system": "Cu-F-Na-Y",
"density": 3.238400024319482,
"density_atomic": 0.062422341545889194,
"volume": 160.1990529728622,
"volume_molar": 9.647412466212728,
"formula_full": "Na2 Y1 Cu1 F6",
"formula_reduced": "Na2YCuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-45883",
"created_at": "2022-09-04T14:38:02.382327Z",
"updated_at": "2022-09-04T14:38:02.382337Z",
"structure_string": "Li4 Ni2 P4 O14\n1.0\n5.103803 -0.008670 0.028779\n0.548839 6.094091 -0.079011\n0.477686 2.770164 8.092195\nLi Ni P O\n4 2 4 14\ndirect\n0.796772 0.208527 0.460075 Li\n0.700400 0.058192 0.842220 Li\n0.299601 0.941807 0.157781 Li\n0.203228 0.791472 0.539926 Li\n0.755492 0.564819 0.732695 Ni\n0.244509 0.435180 0.267306 Ni\n0.789259 0.210185 0.125886 P\n0.715235 0.741291 0.351543 P\n0.284765 0.258708 0.648458 P\n0.210742 0.789813 0.874115 P\n0.270954 0.704669 0.055918 O\n0.205773 0.155147 0.517673 O\n0.255753 0.066204 0.832693 O\n0.418318 0.703544 0.362521 O\n0.403014 0.711713 0.757465 O\n0.596987 0.288286 0.242536 O\n0.894179 0.536695 0.341666 O\n0.744248 0.933795 0.167308 O\n0.794227 0.844851 0.482328 O\n0.729047 0.295330 0.944082 O\n0.105822 0.463303 0.658335 O\n0.921891 0.787127 0.833498 O\n0.581683 0.296455 0.637479 O\n0.078110 0.212872 0.166503 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.2384604718106886,
"density_atomic": 0.09493379406107723,
"volume": 252.80776184463042,
"volume_molar": 6.3435163627038404,
"formula_full": "Li4 Ni2 P4 O14",
"formula_reduced": "Li2NiP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.391688158333333,
"spacegroup": 2
},
{
"id": "jvasp-44784",
"created_at": "2022-09-04T14:38:11.535777Z",
"updated_at": "2022-09-04T14:38:11.535803Z",
"structure_string": "Li2 Mn2 F8\n1.0\n5.982224 -1.285103 -0.693188\n-3.604079 7.058308 0.879449\n-1.770454 -2.408217 3.761191\nLi Mn F\n2 2 8\ndirect\n0.749589 0.500004 0.250294 Li\n0.249582 0.500003 0.750525 Li\n0.499581 0.000003 0.000434 Mn\n-0.000398 -0.000000 0.500394 Mn\n0.184672 0.887855 0.449520 F\n0.314435 0.112094 0.051231 F\n0.586209 0.652744 0.296478 F\n0.412993 0.347249 0.704313 F\n0.086214 0.652742 -0.203461 F\n0.912940 0.347264 0.204307 F\n0.814544 0.112149 0.551329 F\n0.684694 0.887894 -0.050419 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.23856386237928,
"density_atomic": 0.084874351843693,
"volume": 141.38546851114148,
"volume_molar": 7.095359939938681,
"formula_full": "Li2 Mn2 F8",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.356741395229885,
"spacegroup": 2
},
{
"id": "jvasp-118905",
"created_at": "2022-09-04T14:38:51.704185Z",
"updated_at": "2022-09-04T14:38:51.704194Z",
"structure_string": "Mg1 N1\n1.0\n2.696985 -0.000000 0.000000\n-0.000000 2.698790 0.000000\n-0.000000 -0.000000 2.698790\nMg N\n1 1\ndirect\n0.005078 0.000000 0.000000 Mg\n0.504920 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"N"
],
"chemical_system": "Mg-N",
"density": 3.2386484246901945,
"density_atomic": 0.1018153550606036,
"volume": 19.643402498665736,
"volume_molar": 5.914766742615039,
"formula_full": "Mg1 N1",
"formula_reduced": "MgN",
"formula_anonymous": "AB",
"energy_above_hull": 1.4217861499999995,
"spacegroup": 221
},
{
"id": "jvasp-70732",
"created_at": "2022-09-04T14:36:10.470179Z",
"updated_at": "2022-09-04T14:36:10.470205Z",
"structure_string": "Na1 Be2 Cr1\n1.0\n3.215499 -3.226468 0.000000\n3.215499 3.226468 0.000000\n0.000000 0.000000 2.298266\nNa Be Cr\n1 2 1\ndirect\n-0.000000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 -0.000000 0.500001 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Na",
"density": 3.238722975497134,
"density_atomic": 0.08387913871418667,
"volume": 47.68766181099891,
"volume_molar": 7.1795452985278,
"formula_full": "Na1 Be2 Cr1",
"formula_reduced": "NaBe2Cr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.08579215,
"spacegroup": 123
},
{
"id": "jvasp-88802",
"created_at": "2022-09-04T14:36:12.418028Z",
"updated_at": "2022-09-04T14:36:12.418058Z",
"structure_string": "Re2 P2 Cl18\n1.0\n6.761281 -0.023725 -0.660457\n-1.092931 8.694873 -1.652000\n0.000549 0.054021 9.346337\nRe P Cl\n2 2 18\ndirect\n0.385175 0.370577 0.325930 Re\n0.614826 0.629422 0.674070 Re\n0.049452 0.185635 0.778416 P\n0.950549 0.814364 0.221584 P\n0.628646 0.412610 0.785505 Cl\n0.162338 0.905856 0.122473 Cl\n0.837662 0.094142 0.877526 Cl\n0.735410 0.946299 0.231378 Cl\n0.264590 0.053700 0.768622 Cl\n0.059932 0.804288 0.420967 Cl\n0.940068 0.195711 0.579032 Cl\n0.155532 0.390341 0.889442 Cl\n0.844468 0.609658 0.110558 Cl\n0.720335 0.484690 0.448986 Cl\n0.485664 0.759473 0.876325 Cl\n0.514336 0.240526 0.123675 Cl\n0.946824 0.715331 0.760858 Cl\n0.053176 0.284668 0.239142 Cl\n0.584862 0.840300 0.557964 Cl\n0.415138 0.159699 0.442036 Cl\n0.371354 0.587389 0.214495 Cl\n0.279665 0.515309 0.551014 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Re",
"P",
"Cl"
],
"chemical_system": "Cl-P-Re",
"density": 3.238921577863207,
"density_atomic": 0.04001017299057303,
"volume": 549.8601569451728,
"volume_molar": 15.051523924725101,
"formula_full": "Re2 P2 Cl18",
"formula_reduced": "RePCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 1.1332072825,
"spacegroup": 2
},
{
"id": "jvasp-105198",
"created_at": "2022-09-04T14:36:47.278673Z",
"updated_at": "2022-09-04T14:36:47.278699Z",
"structure_string": "Mg4 As2\n1.0\n5.082441 -0.014715 -4.552887\n-0.464728 3.649053 -5.747055\n-0.017853 0.014715 6.823465\nMg As\n4 2\ndirect\n0.801557 0.801558 -0.000001 Mg\n0.746740 0.500000 0.246739 Mg\n0.253260 0.499999 0.753258 Mg\n0.198443 0.198443 -0.000000 Mg\n0.643932 0.143932 0.499999 As\n0.356068 0.856067 0.499998 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 3.2389271671363313,
"density_atomic": 0.04736911523518754,
"volume": 126.66481039829465,
"volume_molar": 12.713221959287367,
"formula_full": "Mg4 As2",
"formula_reduced": "Mg2As",
"formula_anonymous": "AB2",
"energy_above_hull": 0.03905995,
"spacegroup": 71
},
{
"id": "jvasp-45831",
"created_at": "2022-09-04T14:38:08.143612Z",
"updated_at": "2022-09-04T14:38:08.143641Z",
"structure_string": "Li6 V4 F18\n1.0\n-5.004714 -0.003429 0.004341\n2.499369 4.335924 -0.009247\n-0.012055 -0.022690 -13.881571\nLi V F\n6 4 18\ndirect\n0.666632 0.333305 0.817249 Li\n0.666629 0.333326 0.515839 Li\n0.666724 0.333348 0.015858 Li\n0.666711 0.333358 0.317210 Li\n0.333376 0.666669 0.000215 Li\n0.333304 0.666660 0.500122 Li\n0.000055 0.000018 0.151943 V\n0.000027 0.000021 0.348241 V\n0.999957 0.999982 0.651927 V\n0.999983 0.999976 0.848246 V\n0.006167 0.324159 0.579072 F\n0.982340 0.693341 0.751344 F\n0.006244 0.682008 0.079103 F\n0.710952 0.017590 0.751351 F\n0.675860 0.993825 0.079100 F\n0.675783 0.682025 0.579069 F\n0.710984 0.693397 0.251345 F\n0.982481 0.289081 0.251344 F\n0.345295 0.328147 0.415259 F\n0.318065 0.324206 0.079102 F\n0.982857 0.654733 0.415257 F\n0.306600 0.288992 0.751345 F\n0.317923 0.993778 0.579067 F\n0.345242 0.017137 0.915279 F\n0.982840 0.328075 0.915285 F\n0.671893 0.017173 0.415252 F\n0.671902 0.654723 0.915287 F\n0.306665 0.017586 0.251351 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.23922553232562,
"density_atomic": 0.09298835337491532,
"volume": 301.11297795658487,
"volume_molar": 6.476231206847612,
"formula_full": "Li6 V4 F18",
"formula_reduced": "Li3V2F9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.619426495892857,
"spacegroup": 158
}
]
}