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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1553",
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"results": [
{
"id": "jvasp-15562",
"created_at": "2022-09-04T14:36:06.106538Z",
"updated_at": "2022-09-04T14:36:06.106548Z",
"structure_string": "Rb2 Fe2 S4\n1.0\n5.229002 -0.003410 -1.051171\n-1.968447 5.671173 -3.034273\n-0.010024 -0.024738 6.726299\nRb Fe S\n2 2 4\ndirect\n0.750000 0.644346 0.355654 Rb\n0.250000 0.355653 0.644346 Rb\n0.249999 0.999383 0.000617 Fe\n0.750000 0.000616 0.999383 Fe\n0.407061 0.919979 0.711704 S\n0.092938 0.288296 0.080020 S\n0.907062 0.711703 0.919980 S\n0.592938 0.080020 0.288297 S\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Fe-Rb-S",
"density": 3.430034299594002,
"density_atomic": 0.04021781122710831,
"volume": 198.91684196398288,
"volume_molar": 14.973815273022247,
"formula_full": "Rb2 Fe2 S4",
"formula_reduced": "RbFeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.350636375,
"spacegroup": 15
},
{
"id": "jvasp-116570",
"created_at": "2022-09-04T14:38:44.050981Z",
"updated_at": "2022-09-04T14:38:44.051008Z",
"structure_string": "Rb12 Fe4 S12\n1.0\n12.786297 0.000000 0.000000\n-0.000000 6.324883 4.772149\n-0.000000 0.043940 10.245245\nRb Fe S\n12 4 12\ndirect\n0.925193 0.639338 0.612385 Rb\n0.425193 0.360662 0.887615 Rb\n0.074807 0.360662 0.387615 Rb\n0.574807 0.639338 0.112385 Rb\n0.635840 0.611934 0.514276 Rb\n0.135840 0.388065 0.985724 Rb\n0.364161 0.388065 0.485724 Rb\n0.864161 0.611934 0.014276 Rb\n0.810875 0.126769 0.576747 Rb\n0.310875 0.873230 0.923252 Rb\n0.189125 0.873230 0.423253 Rb\n0.689125 0.126769 0.076748 Rb\n0.945075 0.939003 0.148692 Fe\n0.445075 0.060997 0.351308 Fe\n0.054925 0.060997 0.851307 Fe\n0.554925 0.939003 0.648692 Fe\n0.110495 0.866882 0.117003 S\n0.610495 0.133117 0.382997 S\n0.889506 0.133117 0.882996 S\n0.389506 0.866882 0.617003 S\n0.052260 0.882207 0.746304 S\n0.552260 0.117793 0.753696 S\n0.947740 0.117793 0.253696 S\n0.447740 0.882207 0.246304 S\n0.660045 0.652740 0.801817 S\n0.160045 0.347260 0.698182 S\n0.339956 0.347260 0.198182 S\n0.839956 0.652740 0.301818 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Fe",
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],
"chemical_system": "Fe-Rb-S",
"density": 3.284951519682055,
"density_atomic": 0.033903616299581156,
"volume": 825.8706019023083,
"volume_molar": 17.76253219357723,
"formula_full": "Rb12 Fe4 S12",
"formula_reduced": "Rb3FeS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.8781022142857143,
"spacegroup": 14
},
{
"id": "jvasp-91750",
"created_at": "2022-09-04T14:35:56.737657Z",
"updated_at": "2022-09-04T14:35:56.737677Z",
"structure_string": "Rb2 Fe2 S4\n1.0\n0.000000 -0.000000 5.139432\n6.739853 0.000000 0.000000\n-3.369927 5.627916 -2.569715\nRb Fe S\n2 2 4\ndirect\n0.331019 0.331019 0.662039 Rb\n0.668981 0.668981 0.337961 Rb\n0.750356 0.000000 0.000000 Fe\n0.249643 0.000000 0.000000 Fe\n0.652980 0.152981 0.305962 S\n0.347019 0.847019 0.694039 S\n-0.000000 0.253802 -0.000000 S\n-0.000000 0.746198 -0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"S"
],
"chemical_system": "Fe-Rb-S",
"density": 3.499909891683768,
"density_atomic": 0.04103711597061518,
"volume": 194.9454734033561,
"volume_molar": 14.674863516998084,
"formula_full": "Rb2 Fe2 S4",
"formula_reduced": "RbFeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.349936375,
"spacegroup": 71
},
{
"id": "jvasp-119384",
"created_at": "2022-09-04T14:38:32.049277Z",
"updated_at": "2022-09-04T14:38:32.049306Z",
"structure_string": "Rb4 Fe4 O8\n1.0\n5.287278 0.905658 -0.540706\n1.559638 9.723772 0.490939\n0.257346 0.391832 6.513911\nRb Fe O\n4 4 8\ndirect\n0.846015 0.348402 0.013506 Rb\n0.346121 0.848413 0.513538 Rb\n0.153887 0.651605 -0.013537 Rb\n0.653983 0.151579 0.486492 Rb\n0.249828 0.498845 0.502702 Fe\n0.250175 0.001155 -0.002700 Fe\n0.749980 0.998839 0.002735 Fe\n0.750019 0.501160 0.497263 Fe\n0.998181 0.486533 0.313128 O\n0.498354 -0.013502 0.813171 O\n0.508960 0.464028 0.322642 O\n0.009093 0.964055 0.822661 O\n0.490901 0.535956 0.677335 O\n-0.008950 0.035958 0.177362 O\n0.001649 0.513501 0.686828 O\n0.501817 0.013469 0.186871 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 3.5331887019663424,
"density_atomic": 0.0491077566700348,
"volume": 325.8141093169317,
"volume_molar": 12.263115174378688,
"formula_full": "Rb4 Fe4 O8",
"formula_reduced": "RbFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.439115625,
"spacegroup": 2
},
{
"id": "jvasp-56651",
"created_at": "2022-09-04T14:38:32.496818Z",
"updated_at": "2022-09-04T14:38:32.496847Z",
"structure_string": "Rb6 Fe2 O6\n1.0\n6.714635 0.011484 -0.859489\n-1.227353 6.126253 -2.756317\n0.009921 0.061442 6.828673\nRb Fe O\n6 2 6\ndirect\n0.000000 0.260843 0.739156 Rb\n0.000000 0.739157 0.260842 Rb\n0.500000 0.185812 0.814187 Rb\n0.500001 0.814186 0.185812 Rb\n0.344068 0.626237 0.626236 Rb\n0.655934 0.373762 0.373762 Rb\n0.854207 0.831330 0.831330 Fe\n0.145794 0.168668 0.168668 Fe\n0.266365 0.422008 0.154140 O\n0.733635 0.577990 0.845858 O\n0.154949 0.907232 0.907231 O\n0.266365 0.154140 0.422008 O\n0.733636 0.845858 0.577990 O\n0.845052 0.092767 0.092767 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 4.2387999102667875,
"density_atomic": 0.04960117543190248,
"volume": 282.2513756598494,
"volume_molar": 12.141125099480364,
"formula_full": "Rb6 Fe2 O6",
"formula_reduced": "Rb3FeO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.0651094285714284,
"spacegroup": 12
},
{
"id": "jvasp-51619",
"created_at": "2022-09-04T14:38:35.321475Z",
"updated_at": "2022-09-04T14:38:35.321502Z",
"structure_string": "Rb8 Fe4 O10\n1.0\n6.592969 -0.044699 2.680249\n1.667029 7.037441 0.677699\n-0.010382 -0.022350 9.474471\nRb Fe O\n8 4 10\ndirect\n0.460391 0.250000 0.079218 Rb\n0.539610 0.750000 0.920782 Rb\n0.022087 0.250000 0.955826 Rb\n0.977913 0.750000 0.044174 Rb\n0.467103 0.885510 0.361284 Rb\n0.171614 0.614490 0.361284 Rb\n0.828387 0.385510 0.638716 Rb\n0.532898 0.114490 0.638716 Rb\n0.001493 0.906349 0.693949 Fe\n0.695443 0.406349 0.306051 Fe\n0.304558 0.593651 0.693949 Fe\n0.998507 0.093651 0.306051 Fe\n0.790500 0.046217 0.847251 O\n0.209501 0.953783 0.152749 O\n0.273493 0.867365 0.711779 O\n0.362250 0.453783 0.847251 O\n0.726508 0.132635 0.288221 O\n0.985270 0.367365 0.288221 O\n0.000000 -0.000000 0.500000 O\n0.637751 0.546217 0.152749 O\n0.014730 0.632635 0.711779 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 4.022719779479185,
"density_atomic": 0.04994379851021828,
"volume": 440.4951296505591,
"volume_molar": 12.057834885682349,
"formula_full": "Rb8 Fe4 O10",
"formula_reduced": "Rb4Fe2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.5318162272727274,
"spacegroup": 15
},
{
"id": "jvasp-30332",
"created_at": "2022-09-04T14:38:06.614522Z",
"updated_at": "2022-09-04T14:38:06.614540Z",
"structure_string": "Rb2 Fe4 O7\n1.0\n5.082191 0.000072 -0.000019\n-2.541033 4.401309 0.000006\n-0.000025 -0.000007 6.766271\nRb Fe O\n2 4 7\ndirect\n0.333333 0.666649 1.000000 Rb\n0.666665 0.333314 1.000000 Rb\n-0.000001 0.999984 0.271252 Fe\n0.000001 0.999986 0.728750 Fe\n0.333333 0.666651 0.500000 Fe\n0.666666 0.333319 0.500000 Fe\n0.000000 0.652625 0.347320 O\n-0.000001 0.347344 0.652681 O\n0.000001 0.999983 0.000001 O\n0.347362 0.347348 0.347320 O\n0.652637 0.652622 0.652681 O\n0.347360 0.999984 0.652682 O\n0.652640 0.999986 0.347319 O\n",
"nsites": 13,
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"elements": [
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"O"
],
"chemical_system": "Fe-O-Rb",
"density": 5.554961082328817,
"density_atomic": 0.08589296001505523,
"volume": 151.35117008100983,
"volume_molar": 7.0112157724503215,
"formula_full": "Rb2 Fe4 O7",
"formula_reduced": "Rb2Fe4O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.610504346153846,
"spacegroup": 162
},
{
"id": "jvasp-106893",
"created_at": "2022-09-04T14:36:49.630089Z",
"updated_at": "2022-09-04T14:36:49.630113Z",
"structure_string": "Rb2 Fe2 O4\n1.0\n6.476968 -0.014799 0.000000\n-4.663762 4.494513 0.000000\n-0.000000 -0.000000 5.419256\nRb Fe O\n2 2 4\ndirect\n0.691320 0.308679 0.750001 Rb\n0.308680 0.691320 0.250000 Rb\n0.996729 0.003271 0.750001 Fe\n0.003271 0.996728 0.250000 Fe\n0.896370 0.103630 0.496019 O\n0.896370 0.103630 0.003981 O\n0.103630 0.896369 0.503982 O\n0.103630 0.896369 0.996019 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Fe-O-Rb",
"density": 3.6571566173781784,
"density_atomic": 0.05083078556502357,
"volume": 157.38493731847345,
"volume_molar": 11.847428075445299,
"formula_full": "Rb2 Fe2 O4",
"formula_reduced": "RbFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.432770625,
"spacegroup": 63
},
{
"id": "jvasp-46453",
"created_at": "2022-09-04T14:38:11.672337Z",
"updated_at": "2022-09-04T14:38:11.672365Z",
"structure_string": "Rb10 Fe2 O8\n1.0\n6.600569 0.000000 0.000000\n0.000000 7.804347 0.000000\n0.000000 0.000000 8.741236\nRb Fe O\n10 2 8\ndirect\n0.265962 0.736434 0.689997 Rb\n0.734038 0.763567 0.810004 Rb\n0.132092 0.500000 0.000000 Rb\n0.734038 0.236434 0.189996 Rb\n0.734038 0.763567 0.189996 Rb\n0.734038 0.236434 0.810004 Rb\n0.265962 0.736434 0.310004 Rb\n0.867908 0.000000 0.500000 Rb\n0.265962 0.263566 0.689997 Rb\n0.265962 0.263566 0.310004 Rb\n0.791422 0.500000 0.500000 Fe\n0.208578 0.000000 0.000000 Fe\n0.369601 0.206946 0.000000 O\n0.951684 0.500000 0.685990 O\n0.630400 0.706946 0.500000 O\n0.630400 0.293055 0.500000 O\n0.951684 0.500000 0.314010 O\n0.048316 0.000000 0.185990 O\n0.369601 0.793055 0.000000 O\n0.048316 0.000000 0.814011 O\n",
"nsites": 20,
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],
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"density": 4.035708468569082,
"density_atomic": 0.04441597537717982,
"volume": 450.28843406365144,
"volume_molar": 13.55850166265644,
"formula_full": "Rb10 Fe2 O8",
"formula_reduced": "Rb5FeO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.86975895,
"spacegroup": 59
},
{
"id": "jvasp-108190",
"created_at": "2022-09-04T14:38:11.696430Z",
"updated_at": "2022-09-04T14:38:11.696457Z",
"structure_string": "Rb2 Fe2 O4\n1.0\n5.095251 -0.000000 2.941750\n1.698418 4.803847 2.941750\n-0.000000 -0.000000 5.883493\nRb Fe O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750001 0.749999 Rb\n0.250000 0.249999 0.250000 Fe\n0.000000 1.000000 -0.000000 Fe\n0.124999 0.125000 0.124999 O\n0.124999 0.125000 0.625002 O\n0.124999 0.625002 0.124999 O\n0.625002 0.125000 0.124999 O\n",
"nsites": 8,
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],
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"density": 3.9968397314258186,
"density_atomic": 0.055552037985050734,
"volume": 144.00911812007385,
"volume_molar": 10.840539750531892,
"formula_full": "Rb2 Fe2 O4",
"formula_reduced": "RbFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4662856249999998,
"spacegroup": 227
},
{
"id": "jvasp-38314",
"created_at": "2022-09-04T14:35:54.432717Z",
"updated_at": "2022-09-04T14:35:54.432750Z",
"structure_string": "Rb1 Fe1 O3\n1.0\n3.903902 0.000000 0.000000\n0.000000 3.903902 0.000000\n0.000000 -0.000000 3.903902\nRb Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.283579251443935,
"density_atomic": 0.08403753078216952,
"volume": 59.49722645897711,
"volume_molar": 7.16601345131113,
"formula_full": "Rb1 Fe1 O3",
"formula_reduced": "RbFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8311892,
"spacegroup": 221
},
{
"id": "jvasp-44480",
"created_at": "2022-09-04T14:36:55.706828Z",
"updated_at": "2022-09-04T14:36:55.706860Z",
"structure_string": "Rb2 Fe2 O4\n1.0\n-0.000000 4.169523 4.169523\n4.169523 0.000000 4.169523\n0.000000 4.169523 -4.169523\nRb Fe O\n2 2 4\ndirect\n0.500000 0.000000 0.500000 Rb\n0.750000 0.500000 0.750000 Rb\n0.000000 0.000000 0.000000 Fe\n0.250000 0.500000 0.250000 Fe\n0.125000 0.250000 0.125000 O\n0.625000 0.250000 0.125000 O\n0.125000 0.750000 0.625000 O\n0.125000 0.750000 0.125000 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.970247743524851,
"density_atomic": 0.05518243619432655,
"volume": 144.97366466075852,
"volume_molar": 10.913147688501567,
"formula_full": "Rb2 Fe2 O4",
"formula_reduced": "RbFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4703731249999998,
"spacegroup": 227
}
]
}