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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4136",
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"results": [
{
"id": "jvasp-44612",
"created_at": "2022-09-04T14:38:30.019903Z",
"updated_at": "2022-09-04T14:38:30.019932Z",
"structure_string": "Li6 Fe2 Si2 C2 O14\n1.0\n0.000000 4.941210 0.025707\n6.359260 0.000000 0.000000\n0.000000 -0.512360 -8.437657\nLi Fe Si C O\n6 2 2 2 14\ndirect\n0.234246 0.750000 0.112055 Li\n0.758554 0.984669 0.265062 Li\n0.758554 0.515331 0.265062 Li\n0.241446 0.484669 0.734938 Li\n0.241446 0.015331 0.734938 Li\n0.765754 0.250000 0.887945 Li\n0.208667 0.250000 0.346791 Fe\n0.791333 0.750000 0.653209 Fe\n0.718225 0.250000 0.580719 Si\n0.281775 0.750000 0.419281 Si\n0.281644 0.250000 0.033899 C\n0.718356 0.750000 0.966101 C\n0.538604 0.750000 0.845896 O\n0.823899 0.052440 0.693772 O\n0.823899 0.447560 0.693772 O\n0.380879 0.250000 0.558993 O\n0.175823 0.750000 0.598466 O\n0.824177 0.250000 0.401534 O\n0.636558 0.750000 0.109044 O\n0.176101 0.552440 0.306228 O\n0.176101 0.947560 0.306228 O\n0.461396 0.250000 0.154104 O\n0.029041 0.250000 0.061401 O\n0.970959 0.750000 0.938599 O\n0.619121 0.750000 0.441007 O\n0.363442 0.250000 0.890956 O\n",
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"formula_full": "Li6 Fe2 Si2 C2 O14",
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{
"id": "jvasp-52362",
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"structure_string": "Li4 Cr2 S6\n1.0\n3.037501 5.268770 -0.005084\n-3.037501 5.268770 0.005084\n-2.045985 0.000000 5.870658\nLi Cr S\n4 2 6\ndirect\n0.842641 0.842642 0.500000 Li\n0.157358 0.157359 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.331858 0.331858 -0.000000 Cr\n0.668142 0.668142 0.000000 Cr\n0.280637 0.719363 0.769782 S\n0.436965 0.922623 0.229809 S\n0.077377 0.563035 0.229809 S\n0.563035 0.077378 0.770191 S\n0.922622 0.436965 0.770191 S\n0.719363 0.280637 0.230218 S\n",
"nsites": 12,
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"elements": [
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"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 2.8661636962761605,
"density_atomic": 0.06389872678245224,
"volume": 187.7971691181712,
"volume_molar": 9.424508222992936,
"formula_full": "Li4 Cr2 S6",
"formula_reduced": "Li2CrS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.017924566666668,
"spacegroup": 12
},
{
"id": "jvasp-22558",
"created_at": "2022-09-04T14:37:40.794425Z",
"updated_at": "2022-09-04T14:37:40.794452Z",
"structure_string": "K1 Al1 F4\n1.0\n3.643963 -0.000000 0.000000\n-0.000000 3.643963 0.000000\n-0.000000 0.000000 6.198982\nK Al F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.788888 F\n0.500000 0.500000 0.211112 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 6,
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"elements": [
"K",
"Al",
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],
"chemical_system": "Al-F-K",
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"density_atomic": 0.07289251886366306,
"volume": 82.3129738625482,
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"formula_full": "K1 Al1 F4",
"formula_reduced": "KAlF4",
"formula_anonymous": "ABC4",
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"spacegroup": 123
},
{
"id": "jvasp-31799",
"created_at": "2022-09-04T14:37:04.066617Z",
"updated_at": "2022-09-04T14:37:04.066644Z",
"structure_string": "Ru1 F6\n1.0\n-3.146520 -3.146520 3.146520\n-3.146520 3.146520 -3.146520\n3.146520 -3.146520 -3.146520\nRu F\n1 6\ndirect\n0.000000 0.000000 0.000000 Ru\n0.706636 0.706636 0.000000 F\n0.293364 0.293364 0.000000 F\n0.706636 0.000000 0.706636 F\n0.293364 0.000000 0.293364 F\n0.000000 0.706636 0.706636 F\n0.000000 0.293364 0.293364 F\n",
"nsites": 7,
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"elements": [
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],
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"density": 2.8658806780796686,
"density_atomic": 0.05617544985938066,
"volume": 124.60959400454325,
"volume_molar": 10.720235930597308,
"formula_full": "Ru1 F6",
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"spacegroup": 229
},
{
"id": "jvasp-43039",
"created_at": "2022-09-04T14:38:05.272309Z",
"updated_at": "2022-09-04T14:38:05.272334Z",
"structure_string": "Li6 Cr2 Si2 C2 O14\n1.0\n0.000000 4.964905 0.016574\n6.376795 0.000000 0.000000\n0.000000 -0.717016 -8.234738\nLi Cr Si C O\n6 2 2 2 14\ndirect\n0.219352 0.749999 0.109002 Li\n0.756628 0.971322 0.287360 Li\n0.756628 0.528677 0.287360 Li\n0.243371 0.471323 0.712641 Li\n0.243371 0.028677 0.712641 Li\n0.780647 0.250000 0.890999 Li\n0.197227 0.250000 0.320997 Cr\n0.802771 0.749999 0.679004 Cr\n0.718423 0.250000 0.579259 Si\n0.281575 0.749999 0.420741 Si\n0.306515 0.250000 0.032927 C\n0.693483 0.749999 0.967074 C\n0.510959 0.749999 0.843830 O\n0.824548 0.054849 0.698975 O\n0.824548 0.445150 0.698975 O\n0.383717 0.250000 0.545043 O\n0.157464 0.749999 0.596606 O\n0.842534 0.250000 0.403395 O\n0.628690 0.749999 0.113658 O\n0.175450 0.554849 0.301026 O\n0.175450 0.945150 0.301026 O\n0.489040 0.250000 0.156171 O\n0.057166 0.250000 0.070085 O\n0.942833 0.749999 0.929916 O\n0.616281 0.749999 0.454958 O\n0.371308 0.250000 0.886343 O\n",
"nsites": 26,
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"elements": [
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"Cr",
"Si",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O-Si",
"density": 2.8658473342191315,
"density_atomic": 0.09975540052977966,
"volume": 260.6375179881946,
"volume_molar": 6.036907002545922,
"formula_full": "Li6 Cr2 Si2 C2 O14",
"formula_reduced": "Li3CrSiCO7",
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},
{
"id": "jvasp-116303",
"created_at": "2022-09-04T14:38:41.813693Z",
"updated_at": "2022-09-04T14:38:41.813724Z",
"structure_string": "Li2 Se1\n1.0\n4.062742 -0.712340 -0.970092\n1.642197 -3.877741 0.470275\n-0.651923 1.568482 -3.882351\nLi Se\n2 1\ndirect\n0.113735 0.534339 0.194674 Li\n0.613878 0.534165 0.694568 Li\n0.863785 0.034265 0.944619 Se\n",
"nsites": 3,
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"elements": [
"Li",
"Se"
],
"chemical_system": "Li-Se",
"density": 2.8657163258769245,
"density_atomic": 0.055764892285683564,
"volume": 53.79728852753806,
"volume_molar": 10.799161467305579,
"formula_full": "Li2 Se1",
"formula_reduced": "Li2Se",
"formula_anonymous": "AB2",
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"spacegroup": 225
},
{
"id": "jvasp-109010",
"created_at": "2022-09-04T14:38:17.627303Z",
"updated_at": "2022-09-04T14:38:17.627313Z",
"structure_string": "Li3 Sb1 S3\n1.0\n5.711698 -0.004151 -2.683010\n-4.223403 3.845307 -2.683010\n-0.001609 -0.004152 6.310471\nLi Sb S\n3 1 3\ndirect\n0.549149 0.982878 0.549149 Li\n0.549149 0.549149 0.982877 Li\n0.982878 0.549149 0.549149 Li\n0.140334 0.140334 0.140334 Sb\n0.977385 0.623649 0.977384 S\n0.977385 0.977385 0.623648 S\n0.623649 0.977385 0.977384 S\n",
"nsites": 7,
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"elements": [
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"Sb",
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],
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"density": 2.8657054456909554,
"density_atomic": 0.05059250476856892,
"volume": 138.36041587624294,
"volume_molar": 11.903227143126768,
"formula_full": "Li3 Sb1 S3",
"formula_reduced": "Li3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.3760680142857145,
"spacegroup": 160
},
{
"id": "jvasp-20972",
"created_at": "2022-09-04T14:38:20.098826Z",
"updated_at": "2022-09-04T14:38:20.098847Z",
"structure_string": "Na6 Sc2 F12\n1.0\n0.000000 5.580506 -0.011609\n5.838205 0.000000 0.000000\n0.000000 -5.450045 -8.096378\nNa Sc F\n6 2 12\ndirect\n0.723275 0.559848 0.741917 Na\n0.276725 0.059849 0.758084 Na\n0.276725 0.440151 0.258084 Na\n0.723275 0.940151 0.241917 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.896531 0.566357 0.268009 F\n0.103469 0.066358 0.231991 F\n0.353915 0.179099 0.056194 F\n0.646085 0.679098 0.443806 F\n0.646085 0.820900 0.943806 F\n0.249000 0.712485 0.078600 F\n0.751000 0.287514 0.921401 F\n0.249000 0.787513 0.578600 F\n0.896531 0.933642 0.768010 F\n0.751001 0.212486 0.421400 F\n0.353915 0.320901 0.556195 F\n0.103469 0.433642 0.731991 F\n",
"nsites": 20,
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"elements": [
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"Sc",
"F"
],
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"density": 2.8655091077509054,
"density_atomic": 0.07571441466056159,
"volume": 264.1504935310248,
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"formula_full": "Na6 Sc2 F12",
"formula_reduced": "Na3ScF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-121290",
"created_at": "2022-09-04T14:38:55.373037Z",
"updated_at": "2022-09-04T14:38:55.373065Z",
"structure_string": "As1 H3\n1.0\n2.754523 0.239559 0.250562\n-0.998925 -4.216555 0.109501\n-0.863387 -1.628449 -3.974089\nAs H\n1 3\ndirect\n0.073690 0.388919 0.151525 As\n0.850359 0.156020 0.926573 H\n0.055870 0.957440 0.543066 H\n0.055142 0.779513 0.720305 H\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.865404465017076,
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"volume": 45.17038224541666,
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"formula_full": "As1 H3",
"formula_reduced": "AsH3",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 44
},
{
"id": "jvasp-18394",
"created_at": "2022-09-04T14:38:13.842346Z",
"updated_at": "2022-09-04T14:38:13.842376Z",
"structure_string": "Sc1 H2\n1.0\n2.924182 0.000000 1.688277\n0.974727 2.756945 1.688277\n-0.000000 -0.000000 3.376554\nSc H\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.749999 0.750001 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
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"elements": [
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"density": 2.8653654851519543,
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"volume": 27.22113323706521,
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"formula_full": "Sc1 H2",
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},
{
"id": "jvasp-90724",
"created_at": "2022-09-04T14:35:54.123788Z",
"updated_at": "2022-09-04T14:35:54.123813Z",
"structure_string": "Li4 Zn2 Si2\n1.0\n-2.160469 -3.741473 -0.000737\n-2.159976 3.741189 -0.000000\n-0.000658 -0.000379 -7.700137\nLi Zn Si\n4 2 2\ndirect\n0.000100 0.000050 0.239437 Li\n-0.000099 -0.000050 0.760564 Li\n0.333294 0.666647 0.582730 Li\n0.666707 0.333355 0.417271 Li\n0.333276 0.666638 0.908231 Zn\n0.666725 0.333364 0.091769 Zn\n0.333504 0.666752 0.240855 Si\n0.666498 0.333250 0.759146 Si\n",
"nsites": 8,
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"elements": [
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],
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"volume": 124.46666559543935,
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"formula_full": "Li4 Zn2 Si2",
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"spacegroup": 164
},
{
"id": "jvasp-78369",
"created_at": "2022-09-04T14:37:51.695224Z",
"updated_at": "2022-09-04T14:37:51.695242Z",
"structure_string": "Sc1 C1\n1.0\n-2.546381 -2.546381 0.000000\n-2.546381 0.000000 -2.546381\n0.000000 -2.546381 -2.546381\nSc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 C\n",
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}
]
}