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=3491",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3489",
"results": [
{
"id": "jvasp-112896",
"created_at": "2022-09-04T14:38:44.302475Z",
"updated_at": "2022-09-04T14:38:44.302500Z",
"structure_string": "Cr1 Ga7 P8\n1.0\n5.497168 0.000000 0.000000\n0.000000 5.497168 0.000000\n0.000000 0.000000 10.952039\nCr Ga P\n1 7 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.751498 Ga\n-0.000000 0.500000 0.248502 Ga\n0.500000 0.000000 0.248502 Ga\n-0.000000 0.500000 0.751498 Ga\n0.754022 0.245978 0.877959 P\n0.245978 0.754022 0.877959 P\n0.754022 0.754022 0.122042 P\n0.245978 0.245978 0.122042 P\n0.749771 0.250229 0.374468 P\n0.250229 0.749771 0.374468 P\n0.749771 0.749771 0.625532 P\n0.250229 0.250229 0.625532 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"P"
],
"chemical_system": "Cr-Ga-P",
"density": 3.9529205911786773,
"density_atomic": 0.0483444898295368,
"volume": 330.958089668878,
"volume_molar": 12.456726260291783,
"formula_full": "Cr1 Ga7 P8",
"formula_reduced": "CrGa7P8",
"formula_anonymous": "AB7C8",
"energy_above_hull": 1.9687286046875003,
"spacegroup": 111
},
{
"id": "jvasp-64320",
"created_at": "2022-09-04T14:38:07.895096Z",
"updated_at": "2022-09-04T14:38:07.895123Z",
"structure_string": "Ba4 Ca1 V1\n1.0\n-0.000000 5.123557 5.123557\n5.123557 -0.000000 5.123557\n5.123557 5.123557 0.000000\nBa Ca V\n4 1 1\ndirect\n0.120515 0.626495 0.626495 Ba\n0.626495 0.626495 0.626495 Ba\n0.626495 0.120515 0.626495 Ba\n0.626495 0.626495 0.120515 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"V"
],
"chemical_system": "Ba-Ca-V",
"density": 3.9528154573338132,
"density_atomic": 0.02230522139742019,
"volume": 268.9953124918974,
"volume_molar": 26.998793926773207,
"formula_full": "Ba4 Ca1 V1",
"formula_reduced": "Ba4CaV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7098130833333333,
"spacegroup": 216
},
{
"id": "jvasp-47969",
"created_at": "2022-09-04T14:36:03.180843Z",
"updated_at": "2022-09-04T14:36:03.180870Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n5.401992 0.000000 0.000000\n0.000000 6.109038 0.000000\n0.000000 0.000000 8.177987\nLi Ni P O\n4 4 4 16\ndirect\n0.222954 0.249947 0.579044 Li\n0.722953 0.250053 0.079044 Li\n0.222954 0.749948 0.920956 Li\n0.722953 0.750053 0.420956 Li\n0.723013 -0.000008 0.750008 Ni\n0.223014 0.500008 0.250008 Ni\n0.723013 0.499993 0.749993 Ni\n0.223014 0.000008 0.249993 Ni\n0.223006 0.749972 0.600654 P\n0.723006 0.750029 0.100654 P\n0.223006 0.249971 0.899346 P\n0.723006 0.250029 0.399346 P\n0.453563 0.749990 0.720362 O\n0.223022 0.542426 0.496364 O\n0.723022 0.957575 0.996365 O\n0.953563 0.750010 0.220362 O\n0.492465 0.750022 0.220381 O\n0.722974 0.542505 -0.003659 O\n0.222975 0.457495 0.003659 O\n0.492465 0.250022 0.279619 O\n0.453563 0.249990 0.779638 O\n0.223022 0.042426 0.003636 O\n0.723022 0.457574 0.503636 O\n0.953563 0.250010 0.279638 O\n0.992465 0.749979 0.720381 O\n0.722974 0.042505 0.503659 O\n0.992465 0.249979 0.779620 O\n0.222975 0.957495 0.496341 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.9527289262880894,
"density_atomic": 0.10374922284494163,
"volume": 269.8815396607586,
"volume_molar": 5.804516501295041,
"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0577631285714286,
"spacegroup": 63
},
{
"id": "jvasp-98529",
"created_at": "2022-09-04T14:35:43.919884Z",
"updated_at": "2022-09-04T14:35:43.919907Z",
"structure_string": "Na4 Co4 F12\n1.0\n5.370070 0.000000 0.000000\n-0.000000 5.617744 0.000000\n0.000000 0.000000 7.738977\nNa Co F\n4 4 12\ndirect\n0.018894 0.936553 0.750000 Na\n0.518894 0.563446 0.250000 Na\n0.481106 0.436553 0.750000 Na\n0.981106 0.063447 0.250000 Na\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.612666 0.040796 0.750000 F\n0.112666 0.459204 0.250000 F\n0.693063 0.302081 0.057900 F\n0.193063 0.197919 0.942100 F\n0.806937 0.802080 0.442100 F\n0.193063 0.197919 0.557900 F\n0.306937 0.697919 0.942100 F\n0.806937 0.802080 0.057900 F\n0.387334 0.959203 0.250000 F\n0.693063 0.302081 0.442100 F\n0.306937 0.697919 0.557900 F\n0.887334 0.540796 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Co",
"F"
],
"chemical_system": "Co-F-Na",
"density": 3.9522345206329876,
"density_atomic": 0.08566522271077259,
"volume": 233.46697022577115,
"volume_molar": 7.029854787551614,
"formula_full": "Na4 Co4 F12",
"formula_reduced": "NaCoF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1431735098333334,
"spacegroup": 62
},
{
"id": "jvasp-42480",
"created_at": "2022-09-04T14:38:31.800120Z",
"updated_at": "2022-09-04T14:38:31.800155Z",
"structure_string": "Cr8 S12\n1.0\n2.992015 -5.182323 -0.000000\n2.992015 5.182324 0.000000\n-0.000000 0.000000 10.848979\nCr S\n8 12\ndirect\n0.333332 0.666666 0.250000 Cr\n0.333332 0.666666 0.996335 Cr\n0.000000 0.000000 0.005355 Cr\n0.666666 0.333332 0.750000 Cr\n0.666666 0.333332 0.478928 Cr\n0.333332 0.666666 0.503665 Cr\n0.000000 0.000000 0.494645 Cr\n0.666666 0.333332 0.021072 Cr\n0.012376 0.673256 0.127650 S\n0.341565 0.328364 0.616502 S\n0.986798 0.328364 0.883499 S\n0.326742 0.987622 0.372350 S\n0.012376 0.339118 0.372350 S\n0.660880 0.987622 0.127650 S\n0.671635 0.013200 0.616502 S\n0.660881 0.673256 0.372350 S\n0.341565 0.013201 0.883499 S\n0.986798 0.658433 0.616502 S\n0.326743 0.339118 0.127650 S\n0.671634 0.658434 0.883499 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 3.9521938999345245,
"density_atomic": 0.05944602847845432,
"volume": 336.4396329226404,
"volume_molar": 10.130434133514354,
"formula_full": "Cr8 S12",
"formula_reduced": "Cr2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.104698960000001,
"spacegroup": 149
},
{
"id": "jvasp-42902",
"created_at": "2022-09-04T14:38:15.345323Z",
"updated_at": "2022-09-04T14:38:15.345355Z",
"structure_string": "Na2 V4 O8\n1.0\n-3.036124 3.036124 4.304411\n3.036124 -3.036124 4.304411\n3.036124 3.036124 -4.304411\nNa V O\n2 4 8\ndirect\n0.874999 0.125000 0.749999 Na\n0.125000 0.874999 0.250000 Na\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.499999 V\n0.000000 0.499999 0.499999 V\n0.730601 0.268678 0.038078 O\n0.307476 0.269398 0.038078 O\n0.731321 0.269398 0.461922 O\n0.730601 0.692523 0.461922 O\n0.269398 0.307476 0.538077 O\n0.268678 0.730601 0.538077 O\n0.692523 0.730601 0.961921 O\n0.269398 0.731321 0.961921 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 3.9521206024230997,
"density_atomic": 0.08820948816412949,
"volume": 158.71308508162411,
"volume_molar": 6.827089562967118,
"formula_full": "Na2 V4 O8",
"formula_reduced": "NaV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.539303057142857,
"spacegroup": 227
},
{
"id": "jvasp-38211",
"created_at": "2022-09-04T14:37:52.099922Z",
"updated_at": "2022-09-04T14:37:52.099942Z",
"structure_string": "Rb3 Pb1\n1.0\n-0.000000 4.600931 4.600931\n4.600931 0.000000 4.600931\n4.600931 4.600931 0.000000\nRb Pb\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Pb"
],
"chemical_system": "Pb-Rb",
"density": 3.9521057194153233,
"density_atomic": 0.020534911477305788,
"volume": 194.79022368421752,
"volume_molar": 29.326353642456095,
"formula_full": "Rb3 Pb1",
"formula_reduced": "Rb3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-28414",
"created_at": "2022-09-04T14:36:32.144800Z",
"updated_at": "2022-09-04T14:36:32.144832Z",
"structure_string": "Mo2 Se4\n1.0\n3.326125 0.000000 0.000000\n-1.663063 2.880509 -0.000000\n0.000000 0.000000 22.266239\nMo Se\n2 4\ndirect\n0.666668 0.333333 0.451398 Mo\n0.333334 0.666667 0.155697 Mo\n0.333334 0.666667 0.526488 Se\n0.666668 0.333333 0.230888 Se\n0.333334 0.666667 0.376207 Se\n0.666668 0.333333 0.080607 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"Se"
],
"chemical_system": "Mo-Se",
"density": 3.9520160479568474,
"density_atomic": 0.02812526227227568,
"volume": 213.33134396810468,
"volume_molar": 21.411856364931722,
"formula_full": "Mo2 Se4",
"formula_reduced": "MoSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3838242111111105,
"spacegroup": 164
},
{
"id": "jvasp-32189",
"created_at": "2022-09-04T14:38:04.041757Z",
"updated_at": "2022-09-04T14:38:04.041780Z",
"structure_string": "Re2 H8 N2 O8\n1.0\n5.553421 0.000000 -2.410913\n-1.046653 5.453898 -2.410913\n-0.047029 -0.056912 7.493144\nRe H N O\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.750001 0.500000 Re\n0.848193 0.169871 0.599592 H\n0.401807 0.580130 0.900409 H\n0.419871 0.501399 0.099592 H\n0.570280 0.151807 0.400409 H\n0.751399 0.429720 0.599592 H\n0.679720 0.598193 0.099592 H\n0.498602 0.320281 0.900409 H\n0.830129 0.248602 0.400409 H\n0.500000 0.500000 0.000001 N\n0.750000 0.250000 0.500000 N\n0.457987 0.033634 0.663113 O\n0.283635 0.955126 0.163114 O\n0.792013 0.716367 0.836887 O\n0.370521 0.542013 0.336887 O\n0.966366 0.794875 0.336888 O\n0.205126 0.629480 0.663114 O\n0.879479 0.207988 0.163114 O\n0.044874 0.120521 0.836887 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Re",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Re",
"density": 3.9518642782635443,
"density_atomic": 0.08872059152748701,
"volume": 225.42681079627033,
"volume_molar": 6.787759928465139,
"formula_full": "Re2 H8 N2 O8",
"formula_reduced": "ReH4NO4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 3.724685525000001,
"spacegroup": 88
},
{
"id": "jvasp-100867",
"created_at": "2022-09-04T14:36:42.056555Z",
"updated_at": "2022-09-04T14:36:42.056580Z",
"structure_string": "Li2 Cu2 S2\n1.0\n3.927073 -0.000000 0.000000\n0.000000 3.934586 0.000000\n0.000000 -0.000000 5.577800\nLi Cu S\n2 2 2\ndirect\n-0.000000 0.749953 -0.080887 Li\n0.500000 0.250048 0.419113 Li\n-0.000000 0.750114 0.419323 Cu\n0.500000 0.249887 0.919323 Cu\n-0.000000 0.250032 0.669343 S\n0.500000 0.749969 0.169343 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 3.9517755781422395,
"density_atomic": 0.06961780011621542,
"volume": 86.18485487883832,
"volume_molar": 8.650288791008952,
"formula_full": "Li2 Cu2 S2",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3680634833333334,
"spacegroup": 216
},
{
"id": "jvasp-43294",
"created_at": "2022-09-04T14:36:09.989062Z",
"updated_at": "2022-09-04T14:36:09.989088Z",
"structure_string": "Li4 Ti6 Ni2 O16\n1.0\n2.954043 -5.116553 0.000000\n2.954043 5.116553 0.000000\n-0.000000 0.000000 9.568601\nLi Ti Ni O\n4 6 2 16\ndirect\n0.333333 0.666666 0.107867 Li\n0.000000 0.000000 0.001109 Li\n0.000000 0.000000 0.501109 Li\n0.666666 0.333333 0.607866 Li\n0.337062 0.168530 0.285409 Ti\n0.831469 0.662937 0.285409 Ti\n0.831469 0.168530 0.285409 Ti\n0.662937 0.831469 0.785409 Ti\n0.168530 0.831469 0.785409 Ti\n0.168530 0.337062 0.785409 Ti\n0.333333 0.666666 0.512152 Ni\n0.666666 0.333333 0.012152 Ni\n0.840138 0.680278 0.894977 O\n0.319721 0.159860 0.894977 O\n0.666666 0.333333 0.397434 O\n0.964612 0.482305 0.167421 O\n0.517694 0.482305 0.167421 O\n0.159860 0.319721 0.394977 O\n0.482305 0.517694 0.667421 O\n0.482305 0.964612 0.667421 O\n0.680278 0.840138 0.394977 O\n0.000000 0.000000 0.184071 O\n0.000000 0.000000 0.684071 O\n0.333333 0.666666 0.897434 O\n0.517694 0.035387 0.167421 O\n0.159860 0.840139 0.394977 O\n0.035387 0.517694 0.667421 O\n0.840139 0.159860 0.894977 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 3.951676579321305,
"density_atomic": 0.09680221624808376,
"volume": 289.2495759419586,
"volume_molar": 6.221077361045658,
"formula_full": "Li4 Ti6 Ni2 O16",
"formula_reduced": "Li2Ti3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.7389118142857147,
"spacegroup": 186
},
{
"id": "jvasp-86582",
"created_at": "2022-09-04T14:38:08.813427Z",
"updated_at": "2022-09-04T14:38:08.813453Z",
"structure_string": "Sr6 Cu3 Cl3 O6\n1.0\n4.016557 0.000000 -0.000000\n-2.008279 3.478441 0.000000\n-0.000000 -0.000000 27.634859\nSr Cu Cl O\n6 3 3 6\ndirect\n0.332767 0.999169 0.576609 Sr\n0.666402 0.667233 0.243276 Sr\n0.333598 0.000831 0.090058 Sr\n0.667234 0.666402 0.756724 Sr\n0.999169 0.332767 0.423391 Sr\n0.000831 0.333598 0.909942 Sr\n0.667279 0.667278 0.000000 Cu\n0.332722 -0.000000 0.333333 Cu\n-0.000000 0.332722 0.666667 Cu\n-0.000000 0.334094 0.166667 Cl\n0.665907 0.665906 0.500000 Cl\n0.334094 -0.000000 0.833333 Cl\n0.666930 0.667507 0.065817 O\n0.999423 0.332493 0.600849 O\n0.667507 0.666929 0.934183 O\n0.332493 0.999422 0.399151 O\n0.000578 0.333071 0.732484 O\n0.333071 0.000578 0.267516 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Sr",
"density": 3.9512391778459803,
"density_atomic": 0.04662047307087142,
"volume": 386.09646823267525,
"volume_molar": 12.917373770200216,
"formula_full": "Sr6 Cu3 Cl3 O6",
"formula_reduced": "Sr2CuClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.2299423562500001,
"spacegroup": 166
}
]
}