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_atomic&page=1022",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1020",
"results": [
{
"id": "jvasp-50056",
"created_at": "2022-09-04T14:36:33.082947Z",
"updated_at": "2022-09-04T14:36:33.082967Z",
"structure_string": "Y4 Sc4 O12\n1.0\n5.441531 0.000000 0.000000\n0.000000 5.743063 0.000000\n0.000000 0.000000 7.935603\nY Sc O\n4 4 12\ndirect\n0.980357 0.935903 0.009029 Y\n0.480357 0.564096 0.509029 Y\n0.519643 0.435903 0.009029 Y\n0.019643 0.064096 0.509029 Y\n0.500001 0.999979 0.759012 Sc\n0.000001 0.500020 0.259012 Sc\n-0.000001 0.499980 0.759012 Sc\n0.499998 0.000020 0.259012 Sc\n0.809750 0.193562 0.191237 O\n0.309751 0.306438 0.691236 O\n0.309806 0.306552 0.326723 O\n0.870087 0.443167 0.508999 O\n0.129913 0.556833 0.008999 O\n0.190194 0.806551 0.326723 O\n0.690249 0.693562 0.191237 O\n0.190249 0.806437 0.691236 O\n0.809806 0.193448 0.826722 O\n0.629913 0.943167 0.508999 O\n0.690194 0.693448 0.826722 O\n0.370087 0.056833 0.008999 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Sc",
"O"
],
"chemical_system": "O-Sc-Y",
"density": 4.8708142035584245,
"density_atomic": 0.0806464722558693,
"volume": 247.99596858428532,
"volume_molar": 7.467333153635521,
"formula_full": "Y4 Sc4 O12",
"formula_reduced": "YScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.94804824,
"spacegroup": 62
},
{
"id": "jvasp-40685",
"created_at": "2022-09-04T14:38:04.991256Z",
"updated_at": "2022-09-04T14:38:04.991289Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.043181 0.000000 0.000000\n0.000000 6.068328 0.000000\n0.000000 0.000000 11.345283\nLi Mn P O\n4 4 4 16\ndirect\n0.753013 0.472528 0.176292 Li\n0.253013 0.972528 0.323707 Li\n0.753013 0.027472 0.676292 Li\n0.253013 0.527473 0.823707 Li\n0.259364 0.225782 0.078110 Mn\n0.759364 0.725782 0.421890 Mn\n0.259364 0.274218 0.578110 Mn\n0.759364 0.774218 0.921890 Mn\n0.248303 0.031118 0.828784 P\n0.748303 0.531118 0.671216 P\n0.248303 0.468882 0.328784 P\n0.748303 0.968882 0.171216 P\n0.867947 0.549414 0.796613 O\n0.942822 0.011912 0.822831 O\n0.442822 0.511912 0.677169 O\n0.367947 0.049413 0.703387 O\n0.860430 0.320632 0.609655 O\n0.822270 0.739794 0.597295 O\n0.322270 0.260206 0.402704 O\n0.860430 0.179368 0.109655 O\n0.867947 0.950587 0.296613 O\n0.942822 0.488088 0.322831 O\n0.442822 -0.011912 0.177169 O\n0.367947 0.450587 0.203387 O\n0.360430 0.820633 0.890345 O\n0.822270 0.760206 0.097296 O\n0.360430 0.679368 0.390345 O\n0.322270 0.239794 0.902704 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.000584096235825,
"density_atomic": 0.08064344938037603,
"volume": 347.2073704081114,
"volume_molar": 7.467613062525377,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.550640963054187,
"spacegroup": 33
},
{
"id": "jvasp-42281",
"created_at": "2022-09-04T14:36:18.108216Z",
"updated_at": "2022-09-04T14:36:18.108242Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.779292 0.005727 -0.006047\n-0.044245 5.797120 0.016588\n-0.030181 -0.307532 8.055370\nMn O F\n6 2 10\ndirect\n0.490596 0.514980 0.002547 Mn\n0.512250 0.163697 0.674696 Mn\n0.460547 0.827052 0.325357 Mn\n0.018409 0.676319 0.646632 Mn\n0.018234 0.352885 0.334468 Mn\n0.005945 0.976523 0.015581 Mn\n0.198211 0.637033 0.429185 O\n0.305039 0.784929 0.107119 O\n0.807679 0.367712 0.570525 F\n0.702902 0.206276 0.915048 F\n0.717007 0.530154 0.222724 F\n0.678751 0.861033 0.550661 F\n0.190063 0.971943 0.770369 F\n0.303649 0.468065 0.769487 F\n0.205627 0.280021 0.100009 F\n0.786062 0.038798 0.246266 F\n0.296189 0.139738 0.439770 F\n0.802849 0.702848 0.879558 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.103661779481587,
"density_atomic": 0.08064212597522875,
"volume": 223.2084010970786,
"volume_molar": 7.467735612339698,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6353962929597703,
"spacegroup": 1
},
{
"id": "jvasp-30213",
"created_at": "2022-09-04T14:37:07.595449Z",
"updated_at": "2022-09-04T14:37:07.595461Z",
"structure_string": "Sm4 H8 Cl4 O8\n1.0\n12.623191 0.000000 0.000000\n0.000000 3.757408 -0.000000\n0.000000 0.000000 6.274762\nSm H Cl O\n4 8 4 8\ndirect\n0.060847 0.750000 0.248226 Sm\n0.439153 0.250000 0.748226 Sm\n0.560847 0.750000 0.251774 Sm\n0.939153 0.250000 0.751774 Sm\n0.845141 0.750000 0.057035 H\n0.654859 0.250000 0.557035 H\n0.616669 0.750000 0.799845 H\n0.883331 0.250000 0.299845 H\n0.345141 0.750000 0.442964 H\n0.154859 0.250000 0.942964 H\n0.116669 0.750000 0.700154 H\n0.383331 0.250000 0.200155 H\n0.220507 0.250000 0.408350 Cl\n0.279493 0.750000 0.908350 Cl\n0.720507 0.250000 0.091649 Cl\n0.779493 0.750000 0.591649 Cl\n0.917445 0.750000 -0.000331 O\n0.046142 0.750000 0.633595 O\n0.082555 0.250000 0.000331 O\n0.417445 0.750000 0.500331 O\n0.453858 0.250000 0.133595 O\n0.546142 0.750000 0.866404 O\n0.582555 0.250000 0.499668 O\n0.953858 0.250000 0.366405 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sm",
"density": 4.906103413681226,
"density_atomic": 0.08064110584394574,
"volume": 297.61496632305716,
"volume_molar": 7.467830081167124,
"formula_full": "Sm4 H8 Cl4 O8",
"formula_reduced": "SmH2ClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.77826332375,
"spacegroup": 62
},
{
"id": "jvasp-73710",
"created_at": "2022-09-04T14:35:40.763599Z",
"updated_at": "2022-09-04T14:35:40.763623Z",
"structure_string": "Be2 Ge1 W1\n1.0\n-1.767624 1.767624 3.968937\n1.767624 -1.767624 3.968937\n1.767624 1.767624 -3.968937\nBe Ge W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.749999 0.499999 Ge\n0.749999 0.250000 0.499999 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"W"
],
"chemical_system": "Be-Ge-W",
"density": 9.189341150347847,
"density_atomic": 0.08063916378127847,
"volume": 49.603688982308825,
"volume_molar": 7.4680099316681225,
"formula_full": "Be2 Ge1 W1",
"formula_reduced": "Be2GeW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1502595375,
"spacegroup": 139
},
{
"id": "jvasp-11790",
"created_at": "2022-09-04T14:36:39.302776Z",
"updated_at": "2022-09-04T14:36:39.302793Z",
"structure_string": "Mn2 V2 O7\n1.0\n5.013468 0.097177 -0.652481\n-0.950810 5.075147 -1.511460\n0.046783 -0.131345 5.378311\nMn V O\n2 2 7\ndirect\n-0.000000 0.813608 0.186393 Mn\n-0.000000 0.186394 0.813607 Mn\n0.394212 0.748734 0.748733 V\n0.605788 0.251268 0.251267 V\n0.799036 0.442425 0.104890 O\n0.200965 0.895111 0.557576 O\n0.200964 0.557577 0.895110 O\n0.799036 0.104891 0.442424 O\n0.500000 0.500001 0.500000 O\n0.274790 0.074307 0.074307 O\n0.725211 0.925695 0.925694 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-V",
"density": 3.940988133987742,
"density_atomic": 0.08063663165990223,
"volume": 136.4144282017414,
"volume_molar": 7.468244439325458,
"formula_full": "Mn2 V2 O7",
"formula_reduced": "Mn2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.546686125705329,
"spacegroup": 12
},
{
"id": "jvasp-101824",
"created_at": "2022-09-04T14:36:52.507314Z",
"updated_at": "2022-09-04T14:36:52.507334Z",
"structure_string": "H4 C7 S3\n1.0\n4.795409 -0.010670 1.274979\n0.620846 4.762680 1.276778\n0.032266 0.024543 7.614066\nH C S\n4 7 3\ndirect\n0.759130 0.967507 0.911923 H\n0.782382 0.664153 0.265653 H\n0.820733 0.702317 0.589021 H\n0.516716 0.726012 0.942881 H\n0.650194 0.816981 0.340986 C\n0.667761 0.834454 0.513760 C\n0.468679 0.048514 0.588796 C\n0.436040 0.016033 0.266018 C\n0.534725 0.949947 0.927404 C\n0.427306 0.119335 0.756448 C\n0.365193 0.057507 0.098362 C\n0.257590 0.227053 0.427419 S\n0.217597 0.436608 0.784874 S\n0.047820 0.267599 0.069923 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.7626919226935236,
"density_atomic": 0.08063546703866553,
"volume": 173.6208707427323,
"volume_molar": 7.4683523034749975,
"formula_full": "H4 C7 S3",
"formula_reduced": "H4C7S3",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 5.149065714285714,
"spacegroup": 5
},
{
"id": "jvasp-16392",
"created_at": "2022-09-04T14:38:33.147385Z",
"updated_at": "2022-09-04T14:38:33.147413Z",
"structure_string": "Ga2 Au2 O4\n1.0\n1.519225 -2.631374 0.000000\n1.519225 2.631374 -0.000000\n0.000000 -0.000000 12.409105\nGa Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.666665 0.333332 0.250000 Au\n0.333332 0.666665 0.750000 Au\n0.333332 0.666665 0.580673 O\n0.666665 0.333332 0.080673 O\n0.333332 0.666665 0.919328 O\n0.666665 0.333332 0.419327 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Au",
"O"
],
"chemical_system": "Au-Ga-O",
"density": 9.998210403223439,
"density_atomic": 0.08063337801695976,
"volume": 99.2144964870174,
"volume_molar": 7.468545790966804,
"formula_full": "Ga2 Au2 O4",
"formula_reduced": "GaAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8755392237499999,
"spacegroup": 194
},
{
"id": "jvasp-8330",
"created_at": "2022-09-04T14:37:06.135032Z",
"updated_at": "2022-09-04T14:37:06.135057Z",
"structure_string": "Y1 Mo1 O3\n1.0\n3.957969 0.000000 0.000000\n0.000000 3.957969 -0.000000\n0.000000 -0.000000 3.958330\nY Mo O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Mo",
"O"
],
"chemical_system": "Mo-O-Y",
"density": 6.235301635629601,
"density_atomic": 0.08063307639554483,
"volume": 62.009292259575275,
"volume_molar": 7.4685737283028155,
"formula_full": "Y1 Mo1 O3",
"formula_reduced": "YMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.96873637,
"spacegroup": 221
},
{
"id": "jvasp-75004",
"created_at": "2022-09-04T14:35:54.961920Z",
"updated_at": "2022-09-04T14:35:54.961938Z",
"structure_string": "Be1 Cu4 Re1\n1.0\n0.000000 3.338412 3.338412\n3.338412 -0.000000 3.338412\n3.338412 3.338412 0.000000\nBe Cu Re\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625145 0.124564 0.625145 Cu\n0.124564 0.625145 0.625145 Cu\n0.625145 0.625145 0.625145 Cu\n0.625145 0.625145 0.124564 Cu\n0.250000 0.250000 0.250000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Re"
],
"chemical_system": "Be-Cu-Re",
"density": 10.028487708744919,
"density_atomic": 0.08063089052119211,
"volume": 74.4131679709407,
"volume_molar": 7.468776198642142,
"formula_full": "Be1 Cu4 Re1",
"formula_reduced": "BeCu4Re",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3926043166666673,
"spacegroup": 216
},
{
"id": "jvasp-104732",
"created_at": "2022-09-04T14:36:50.472935Z",
"updated_at": "2022-09-04T14:36:50.472967Z",
"structure_string": "K1 Ti1 O2 F1\n1.0\n3.866977 -0.000000 0.000000\n0.000000 3.866977 0.000000\n0.000000 0.000000 4.147090\nK Ti O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 F\n",
"nsites": 5,
"nelements": 4,
"elements": [
"K",
"Ti",
"O",
"F"
],
"chemical_system": "F-K-O-Ti",
"density": 3.6942265449376737,
"density_atomic": 0.08062753191851073,
"volume": 62.01355642454043,
"volume_molar": 7.4690873163356954,
"formula_full": "K1 Ti1 O2 F1",
"formula_reduced": "KTiO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0043347231666668,
"spacegroup": 123
},
{
"id": "jvasp-110373",
"created_at": "2022-09-04T14:38:37.610722Z",
"updated_at": "2022-09-04T14:38:37.610756Z",
"structure_string": "Na2 Li1 Ir1 F6\n1.0\n4.847764 0.000000 2.798858\n1.615921 4.570516 2.798858\n-0.000000 -0.000000 5.597716\nNa Li Ir F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ir\n0.745260 0.254740 0.254740 F\n0.254739 0.254740 0.745261 F\n0.254739 0.745261 0.745261 F\n0.254739 0.745261 0.254740 F\n0.745260 0.254740 0.745261 F\n0.745259 0.745261 0.254741 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ir",
"F"
],
"chemical_system": "F-Ir-Li-Na",
"density": 4.80818035476022,
"density_atomic": 0.080627359358053,
"volume": 124.02737829465089,
"volume_molar": 7.469103301841565,
"formula_full": "Na2 Li1 Ir1 F6",
"formula_reduced": "Na2LiIrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1270330795,
"spacegroup": 225
}
]
}