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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=676",
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"results": [
{
"id": "jvasp-21297",
"created_at": "2022-09-04T14:37:07.151659Z",
"updated_at": "2022-09-04T14:37:07.151670Z",
"structure_string": "Ca2 Cu2 Si4 O12\n1.0\n5.136523 0.029170 1.090276\n1.278639 6.573335 0.604477\n0.017132 -0.006285 6.723743\nCa Cu Si O\n2 2 4 12\ndirect\n0.749999 0.297345 0.702655 Ca\n0.250001 0.702655 0.297346 Ca\n0.249999 0.096376 0.903624 Cu\n0.749998 0.903626 0.096377 Cu\n0.280768 0.192310 0.378382 Si\n0.219230 0.621618 0.807689 Si\n0.780768 0.378382 0.192311 Si\n0.719231 0.807690 0.621619 Si\n0.631858 0.976308 0.795557 O\n0.868141 0.204443 0.023693 O\n0.677358 0.606191 0.108792 O\n0.822640 0.891210 0.393810 O\n0.322640 0.393808 0.891209 O\n0.981833 0.628535 0.672883 O\n0.018165 0.371465 0.327118 O\n0.481835 0.672882 0.628536 O\n0.368140 0.023692 0.204444 O\n0.518165 0.327119 0.371464 O\n0.177359 0.108790 0.606190 O\n0.131859 0.795557 0.976308 O\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.0882384607812876,
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"volume_molar": 6.824847925358522,
"formula_full": "Ca2 Cu2 Si4 O12",
"formula_reduced": "CaCu(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-34775",
"created_at": "2022-09-04T14:37:07.156597Z",
"updated_at": "2022-09-04T14:37:07.156614Z",
"structure_string": "Li2 Yb4 Cl10\n1.0\n5.852613 0.000000 -2.489120\n-0.268065 6.982001 -0.630294\n0.007192 -0.029656 8.142033\nYb Li Cl\n4 2 10\ndirect\n0.878868 0.571205 0.207280 Yb\n0.328410 0.071205 0.207280 Yb\n0.121132 0.428794 0.792720 Yb\n0.671590 0.928794 0.792720 Yb\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.471573 0.425416 0.181247 Cl\n0.929932 0.250000 0.000000 Cl\n0.070068 0.750000 0.000001 Cl\n0.144203 0.315083 0.438071 Cl\n0.855797 0.684916 0.561929 Cl\n0.293868 0.815083 0.438071 Cl\n0.706131 0.184916 0.561929 Cl\n0.528426 0.574583 0.818753 Cl\n0.709673 0.925416 0.181247 Cl\n0.290326 0.074583 0.818753 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Yb",
"Li",
"Cl"
],
"chemical_system": "Cl-Li-Yb",
"density": 5.293368855225928,
"density_atomic": 0.04809089789553072,
"volume": 332.70329106263046,
"volume_molar": 12.522412813090067,
"formula_full": "Li2 Yb4 Cl10",
"formula_reduced": "LiYb2Cl5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-10537",
"created_at": "2022-09-04T14:37:07.198587Z",
"updated_at": "2022-09-04T14:37:07.198617Z",
"structure_string": "K6 B2 P4\n1.0\n6.177627 0.001723 1.680668\n-0.105421 6.176728 1.680668\n0.014621 0.014876 8.978934\nK B P\n6 2 4\ndirect\n0.653138 0.346862 0.250000 K\n0.346862 0.653138 0.750000 K\n0.253468 0.152536 0.017495 K\n0.847464 0.746532 0.482505 K\n0.746532 0.847464 0.982505 K\n0.152537 0.253468 0.517494 K\n0.283779 0.716221 0.250000 B\n0.716221 0.283779 0.750000 B\n0.408047 0.850585 0.354692 P\n0.149416 0.591953 0.145308 P\n0.850585 0.408047 0.854692 P\n0.591953 0.149415 0.645308 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"B",
"P"
],
"chemical_system": "B-K-P",
"density": 1.8439087449142726,
"density_atomic": 0.035056284008772455,
"volume": 342.3066745179589,
"volume_molar": 17.17849147528878,
"formula_full": "K6 B2 P4",
"formula_reduced": "K3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3269795972222225,
"spacegroup": 15
},
{
"id": "jvasp-8792",
"created_at": "2022-09-04T14:37:07.204213Z",
"updated_at": "2022-09-04T14:37:07.204235Z",
"structure_string": "Li2 Sb2 S4\n1.0\n7.885630 0.000000 -0.000000\n7.885630 6.720777 -0.025597\n3.942815 4.468486 3.175376\nLi Sb S\n2 2 4\ndirect\n0.252883 0.500001 -0.000001 Li\n0.497116 -0.000000 0.000000 Li\n-0.017695 0.000000 -0.000000 Sb\n0.767694 0.500001 -0.000001 Sb\n0.524892 0.479304 0.528612 S\n0.225108 0.020697 0.471389 S\n0.012111 0.520697 0.471389 S\n0.737889 -0.020697 0.528612 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 3.7851532282929634,
"density_atomic": 0.04728435893985098,
"volume": 169.18913948218184,
"volume_molar": 12.736010162812159,
"formula_full": "Li2 Sb2 S4",
"formula_reduced": "LiSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.328066525,
"spacegroup": 15
},
{
"id": "jvasp-21389",
"created_at": "2022-09-04T14:37:07.246892Z",
"updated_at": "2022-09-04T14:37:07.246916Z",
"structure_string": "Sr6 Cu2 Pt2 O12\n1.0\n6.733078 0.033209 -0.124149\n-0.131215 6.781741 -0.264387\n0.032151 0.024720 6.788039\nSr Cu Pt O\n6 2 2 12\ndirect\n0.377631 0.611636 0.758701 Sr\n0.122370 0.241299 0.388364 Sr\n0.622370 0.388364 0.241299 Sr\n0.877631 0.758701 0.611635 Sr\n0.750001 0.899434 0.100566 Sr\n0.250000 0.100566 0.899434 Sr\n0.750000 0.304825 0.695175 Cu\n0.250001 0.695175 0.304824 Cu\n0.000000 0.500000 -0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.214749 0.896907 0.524721 O\n0.462281 0.283341 0.604206 O\n0.785251 0.103093 0.475279 O\n0.928782 0.216788 0.074361 O\n0.571219 0.925639 0.783212 O\n0.071219 0.783212 0.925639 O\n0.428782 0.074361 0.216788 O\n0.962281 0.604206 0.283341 O\n0.537720 0.716659 0.395794 O\n0.037720 0.395794 0.716659 O\n0.714749 0.524721 0.896907 O\n0.285252 0.475279 0.103092 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Cu",
"Pt",
"O"
],
"chemical_system": "Cu-O-Pt-Sr",
"density": 6.614029676881416,
"density_atomic": 0.07095488984152203,
"volume": 310.0561504518867,
"volume_molar": 8.487280825113633,
"formula_full": "Sr6 Cu2 Pt2 O12",
"formula_reduced": "Sr3CuPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.4567337981818178,
"spacegroup": 15
},
{
"id": "jvasp-11189",
"created_at": "2022-09-04T14:37:07.326401Z",
"updated_at": "2022-09-04T14:37:07.326427Z",
"structure_string": "Na2 Al2 As2 O8 F2\n1.0\n5.240504 -0.007305 -1.415237\n-1.811880 4.917319 -1.415237\n-0.011797 -0.016894 7.076529\nNa Al As O F\n2 2 2 8 2\ndirect\n0.328958 0.671043 0.750000 Na\n0.671041 0.328959 0.250000 Na\n0.000000 0.000000 0.000000 Al\n-0.000000 0.000000 0.500000 Al\n0.313819 0.686181 0.250000 As\n0.686180 0.313821 0.750000 As\n0.097518 0.693538 0.389233 O\n0.306462 0.902482 0.110766 O\n0.902481 0.306464 0.610766 O\n0.693537 0.097520 0.889234 O\n0.363671 0.237073 0.581652 O\n0.636328 0.762929 0.418347 O\n0.762928 0.636330 0.918347 O\n0.237072 0.363672 0.081652 O\n0.066296 0.933705 0.750000 F\n0.933704 0.066297 0.250000 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
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"Al",
"As",
"O",
"F"
],
"chemical_system": "Al-As-F-Na-O",
"density": 3.7932363886081206,
"density_atomic": 0.08790619319663755,
"volume": 182.01220435299214,
"volume_molar": 6.850644466572521,
"formula_full": "Na2 Al2 As2 O8 F2",
"formula_reduced": "NaAlAsO4F",
"formula_anonymous": "ABCDE4",
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"spacegroup": 15
},
{
"id": "jvasp-11647",
"created_at": "2022-09-04T14:37:07.359321Z",
"updated_at": "2022-09-04T14:37:07.359350Z",
"structure_string": "Y2 Mn4 O8\n1.0\n5.431845 -0.127336 -2.928370\n-1.521069 5.317118 -2.740642\n-0.207000 -0.048008 6.372217\nY Mn O\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.380948 0.630947 0.750001 Mn\n0.619053 0.369053 0.250000 Mn\n0.500001 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.698600 0.759409 0.473122 O\n0.786288 0.225480 0.026881 O\n0.216368 0.215739 0.981652 O\n0.301400 0.240592 0.526880 O\n0.265913 0.765284 0.481651 O\n0.213712 0.774520 0.973122 O\n0.734086 0.234714 0.518348 O\n0.783632 0.784261 0.018349 O\n",
"nsites": 14,
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"elements": [
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"Mn",
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],
"chemical_system": "Mn-O-Y",
"density": 4.886873111607859,
"density_atomic": 0.07839501673217152,
"volume": 178.5827796660795,
"volume_molar": 7.6817902604371175,
"formula_full": "Y2 Mn4 O8",
"formula_reduced": "YMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0883234189655173,
"spacegroup": 15
},
{
"id": "jvasp-21344",
"created_at": "2022-09-04T14:37:07.743867Z",
"updated_at": "2022-09-04T14:37:07.743900Z",
"structure_string": "Mg2 Co2 Si4 O12\n1.0\n4.889059 -0.122626 0.876046\n1.018935 6.397623 0.527523\n-0.211533 -0.020107 6.496225\nMg Co Si O\n2 2 4 12\ndirect\n0.750001 0.271610 0.728388 Mg\n0.250002 0.728388 0.271612 Mg\n0.250000 0.085166 0.914834 Co\n0.750000 0.914835 0.085165 Co\n0.290220 0.208703 0.394102 Si\n0.209781 0.605897 0.791296 Si\n0.790220 0.394102 0.208704 Si\n0.709782 0.791295 0.605897 Si\n0.642422 0.971000 0.777607 O\n0.857580 0.222391 0.028999 O\n0.631342 0.616953 0.144922 O\n0.868660 0.855077 0.383046 O\n0.368659 0.383044 0.855077 O\n-0.089348 0.585044 0.704572 O\n0.089349 0.414955 0.295426 O\n0.410653 0.704572 0.585045 O\n0.357579 0.028998 0.222393 O\n0.589350 0.295427 0.414954 O\n0.131342 0.144921 0.616953 O\n0.142423 0.777608 0.971000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Co",
"Si",
"O"
],
"chemical_system": "Co-Mg-O-Si",
"density": 3.8092734962297747,
"density_atomic": 0.09744875093372611,
"volume": 205.23608366824314,
"volume_molar": 6.179802924406486,
"formula_full": "Mg2 Co2 Si4 O12",
"formula_reduced": "MgCo(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.523620815,
"spacegroup": 15
},
{
"id": "jvasp-21347",
"created_at": "2022-09-04T14:37:08.033075Z",
"updated_at": "2022-09-04T14:37:08.033109Z",
"structure_string": "Ca2 Cr2 Si4 O12\n1.0\n5.157354 -0.005868 1.056897\n1.237638 6.640718 0.594138\n-0.037810 -0.011614 6.781027\nCa Cr Si O\n2 2 4 12\ndirect\n0.750000 0.300762 0.699239 Ca\n0.250001 0.699238 0.300764 Ca\n0.249999 0.095273 0.904729 Cr\n0.749999 0.904730 0.095272 Cr\n0.274101 0.193518 0.379647 Si\n0.225898 0.620354 0.806483 Si\n0.774101 0.379647 0.193518 Si\n0.725899 0.806483 0.620354 Si\n0.639996 0.975460 0.789334 O\n0.860004 0.210665 0.024541 O\n0.672308 0.606531 0.116576 O\n0.827690 0.883426 0.393469 O\n0.327690 0.393468 0.883426 O\n0.982687 0.628063 0.675175 O\n0.017312 0.371937 0.324826 O\n0.482688 0.675175 0.628065 O\n0.360003 0.024541 0.210667 O\n0.517312 0.324827 0.371936 O\n0.172309 0.116574 0.606532 O\n0.139997 0.789335 0.975460 O\n",
"nsites": 20,
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"elements": [
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"O"
],
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"density": 3.4876654474850968,
"density_atomic": 0.08599362620931292,
"volume": 232.57537659034134,
"volume_molar": 7.0030082756852226,
"formula_full": "Ca2 Cr2 Si4 O12",
"formula_reduced": "CaCr(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-10550",
"created_at": "2022-09-04T14:37:08.319185Z",
"updated_at": "2022-09-04T14:37:08.319211Z",
"structure_string": "Rb6 B2 As4\n1.0\n6.536916 0.010376 1.759937\n-0.218245 6.533280 1.759937\n0.005040 0.005219 9.622857\nRb B As\n6 2 4\ndirect\n0.848640 0.151361 0.750000 Rb\n0.151361 0.848640 0.250000 Rb\n0.243827 0.349306 0.982671 Rb\n0.650696 0.756173 0.517330 Rb\n0.756174 0.650695 0.017329 Rb\n0.349306 0.243827 0.482671 Rb\n0.784861 0.215140 0.250000 B\n0.215140 0.784861 0.750000 B\n0.908136 0.347106 0.357289 As\n0.652895 0.091865 0.142711 As\n0.347106 0.908136 0.857290 As\n0.091865 0.652895 0.642711 As\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.37109212466193,
"density_atomic": 0.029206312936137267,
"volume": 410.87007546071584,
"volume_molar": 20.619311904135436,
"formula_full": "Rb6 B2 As4",
"formula_reduced": "Rb3BAs2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.094796013888889,
"spacegroup": 15
},
{
"id": "jvasp-10551",
"created_at": "2022-09-04T14:37:08.500834Z",
"updated_at": "2022-09-04T14:37:08.500857Z",
"structure_string": "Rb6 B2 P4\n1.0\n6.396238 0.009430 1.674200\n-0.202910 6.393025 1.674200\n0.007560 0.007816 9.402135\nRb B P\n6 2 4\ndirect\n0.244515 0.345088 0.983141 Rb\n0.654913 0.755485 0.516858 Rb\n0.755486 0.654912 0.016858 Rb\n0.345087 0.244515 0.483142 Rb\n0.843788 0.156213 0.749999 Rb\n0.156212 0.843787 0.250000 Rb\n0.784104 0.215896 0.250000 B\n0.215896 0.784104 0.750000 B\n0.903610 0.342738 0.354690 P\n0.657262 0.096390 0.145309 P\n0.342738 0.903610 0.854690 P\n0.096390 0.657262 0.645309 P\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "B-P-Rb",
"density": 2.8444592027441655,
"density_atomic": 0.03122426829220214,
"volume": 384.3164517964652,
"volume_molar": 19.286731409183904,
"formula_full": "Rb6 B2 P4",
"formula_reduced": "Rb3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3241022638888889,
"spacegroup": 15
},
{
"id": "jvasp-8780",
"created_at": "2022-09-04T14:37:08.551100Z",
"updated_at": "2022-09-04T14:37:08.551121Z",
"structure_string": "Ag2 Sb2 Se4\n1.0\n8.213255 -0.000115 0.000701\n8.212989 7.081041 0.044182\n4.106726 4.740913 3.394462\nAg Sb Se\n2 2 4\ndirect\n0.505262 -0.000220 0.000166 Ag\n0.244738 0.500220 -0.000167 Ag\n0.006725 -0.000057 0.000064 Sb\n0.743275 0.500056 -0.000064 Sb\n0.276024 0.978416 0.521017 Se\n0.753797 0.021585 0.478963 Se\n0.473977 0.521584 0.478981 Se\n0.996204 0.478414 0.521035 Se\n",
"nsites": 8,
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"elements": [
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"Se"
],
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"density": 6.576582402470379,
"density_atomic": 0.040877604345577946,
"volume": 195.70618503883588,
"volume_molar": 14.732127423830947,
"formula_full": "Ag2 Sb2 Se4",
"formula_reduced": "AgSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9837175233333332,
"spacegroup": 15
}
]
}