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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4324",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4322",
"results": [
{
"id": "jvasp-33000",
"created_at": "2022-09-04T14:37:27.283107Z",
"updated_at": "2022-09-04T14:37:27.283130Z",
"structure_string": "H4 S2 O8\n1.0\n3.718881 2.278998 -1.754772\n-3.718881 2.278998 1.754772\n-0.516208 0.000000 8.554645\nH S O\n4 2 8\ndirect\n0.714413 0.541016 0.616596 H\n0.458985 0.285588 0.116596 H\n0.293171 0.762886 0.895901 H\n0.237115 0.706830 0.395901 H\n0.885752 0.933787 0.747637 S\n0.066214 0.114249 0.247637 S\n0.734263 0.715841 0.894571 O\n0.684423 0.756174 0.588448 O\n0.243827 0.315578 0.088448 O\n0.284160 0.265738 0.394571 O\n0.258908 0.963127 0.799100 O\n0.917354 0.281301 0.671133 O\n0.718700 0.082646 0.171134 O\n0.036875 0.741092 0.299101 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
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"density": 2.3121162761268867,
"density_atomic": 0.09937677226639786,
"volume": 140.87799070863767,
"volume_molar": 6.059907785952772,
"formula_full": "H4 S2 O8",
"formula_reduced": "H2SO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 9
},
{
"id": "jvasp-11449",
"created_at": "2022-09-04T14:37:27.730272Z",
"updated_at": "2022-09-04T14:37:27.730302Z",
"structure_string": "Tl8 Ge2 S8\n1.0\n7.334358 0.000888 2.148429\n2.205015 8.168447 0.912033\n-0.019583 0.022622 8.509790\nTl Ge S\n8 2 8\ndirect\n0.496654 0.598657 0.372469 Tl\n0.593837 0.990481 0.246363 Tl\n0.093837 0.246363 0.990480 Tl\n0.564328 0.403690 0.984155 Tl\n0.064328 0.984155 0.403689 Tl\n0.580221 0.782787 0.792563 Tl\n0.080221 0.792563 0.782786 Tl\n-0.003346 0.372470 0.598657 Tl\n0.039370 0.621479 0.201585 Ge\n0.539370 0.201586 0.621478 Ge\n0.355285 0.044058 0.603287 S\n0.848336 0.723286 0.440884 S\n0.348336 0.440885 0.723286 S\n0.722534 0.251624 0.372702 S\n0.222534 0.372702 0.251624 S\n0.712742 0.083157 0.798372 S\n0.855285 0.603287 0.044058 S\n0.212741 0.798372 0.083157 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 6.63056187025168,
"density_atomic": 0.03528671219959163,
"volume": 510.10703117328995,
"volume_molar": 17.06631302439589,
"formula_full": "Tl8 Ge2 S8",
"formula_reduced": "Tl4GeS4",
"formula_anonymous": "AB4C4",
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"spacegroup": 9
},
{
"id": "jvasp-17820",
"created_at": "2022-09-04T14:37:27.915260Z",
"updated_at": "2022-09-04T14:37:27.915272Z",
"structure_string": "Ce2 Co2 C4\n1.0\n3.697257 0.001549 0.522390\n-0.075893 3.696479 0.522390\n-0.052973 -0.054095 7.411530\nCe Co C\n2 2 4\ndirect\n0.933754 0.069415 -0.000011 Ce\n0.069416 0.933754 0.499989 Ce\n0.626312 0.488467 0.305600 Co\n0.488467 0.626312 0.805600 Co\n0.556743 0.405739 0.572424 C\n0.405739 0.556742 0.072424 C\n0.509213 0.143365 0.725087 C\n0.143365 0.509213 0.225087 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Co",
"C"
],
"chemical_system": "C-Ce-Co",
"density": 7.29873018353128,
"density_atomic": 0.07881626988922598,
"volume": 101.5018854767394,
"volume_molar": 7.640733021829054,
"formula_full": "Ce2 Co2 C4",
"formula_reduced": "CeCoC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.282654099999999,
"spacegroup": 9
},
{
"id": "jvasp-12460",
"created_at": "2022-09-04T14:37:27.994562Z",
"updated_at": "2022-09-04T14:37:27.994589Z",
"structure_string": "Cl4 O12\n1.0\n5.013635 0.007302 -0.524800\n-2.125987 4.540570 -0.524800\n-0.016575 -0.026105 9.866721\nCl O\n4 12\ndirect\n0.817630 0.682621 0.139048 Cl\n0.682620 0.817629 0.639048 Cl\n0.181546 0.313808 0.377429 Cl\n0.313808 0.181546 0.877429 Cl\n0.580391 0.452240 0.184733 O\n0.452239 0.580390 0.684733 O\n0.818825 0.972501 0.186325 O\n0.972501 0.818824 0.686325 O\n0.377135 0.970943 0.944919 O\n0.970944 0.377136 0.444919 O\n0.112148 0.281914 0.932055 O\n0.281914 0.112149 0.432056 O\n0.635696 0.766490 0.486827 O\n0.766490 0.635695 0.986827 O\n0.690507 0.099394 0.690261 O\n0.099395 0.690508 0.190261 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.467601052992917,
"density_atomic": 0.07122841078754025,
"volume": 224.6294676954779,
"volume_molar": 8.454689208162756,
"formula_full": "Cl4 O12",
"formula_reduced": "ClO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.885148641875,
"spacegroup": 9
},
{
"id": "jvasp-9536",
"created_at": "2022-09-04T14:37:28.031855Z",
"updated_at": "2022-09-04T14:37:28.031896Z",
"structure_string": "Mn2 Zn2 F8\n1.0\n5.156544 0.001820 0.133369\n-0.001931 5.335490 -0.037132\n-2.308860 -2.626392 5.140508\nMn Zn F\n2 2 8\ndirect\n0.508057 0.975662 0.979154 Mn\n0.007627 0.502520 -0.021067 Mn\n0.737445 0.703241 0.490040 Zn\n0.237308 0.286743 0.490140 Zn\n0.133656 0.674184 0.731218 F\n0.305828 0.958030 0.225217 F\n0.821877 0.295574 0.291480 F\n0.321851 0.497161 0.292038 F\n0.737452 0.068980 0.778578 F\n0.237525 0.209104 0.778919 F\n0.633629 0.556136 0.731010 F\n0.805771 0.768066 0.225071 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"F"
],
"chemical_system": "F-Mn-Zn",
"density": 4.573627652659469,
"density_atomic": 0.08416910636731703,
"volume": 142.57012481077754,
"volume_molar": 7.154811331510589,
"formula_full": "Mn2 Zn2 F8",
"formula_reduced": "MnZnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0262148689655171,
"spacegroup": 9
},
{
"id": "jvasp-50686",
"created_at": "2022-09-04T14:37:28.036817Z",
"updated_at": "2022-09-04T14:37:28.036847Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n5.252208 0.000000 -0.835176\n-2.626103 4.538614 0.417588\n-1.215482 -0.000000 7.696592\nLi Cu P O\n2 2 2 8\ndirect\n-0.013981 0.181915 0.970403 Li\n0.804104 0.818084 0.470403 Li\n0.301352 0.889137 0.326752 Cu\n0.412214 0.110862 0.826752 Cu\n0.326222 0.642448 0.696754 P\n0.683775 0.357551 0.196754 P\n0.104598 0.770078 0.661899 O\n0.405337 0.643046 0.521249 O\n0.192105 0.328232 0.774920 O\n0.603072 -0.132913 0.839424 O\n0.334519 0.229921 0.161899 O\n0.762291 0.356953 0.021248 O\n0.863873 0.671767 0.274920 O\n0.735985 0.132913 0.339425 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.072200700012904,
"density_atomic": 0.07827260821903526,
"volume": 178.86206066907727,
"volume_molar": 7.6938036140917365,
"formula_full": "Li2 Cu2 P2 O8",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8321085642857144,
"spacegroup": 9
},
{
"id": "jvasp-40138",
"created_at": "2022-09-04T14:37:28.338542Z",
"updated_at": "2022-09-04T14:37:28.338563Z",
"structure_string": "Ca8 Sn2 S12\n1.0\n3.830069 -6.255610 0.000000\n-3.153956 -6.231352 2.327709\n-3.182210 -6.248650 -11.344364\nCa Sn S\n8 2 12\ndirect\n0.675505 0.542313 0.846965 Ca\n0.935217 0.042313 0.346965 Ca\n0.193262 0.216347 0.046129 Ca\n0.544262 0.716347 0.546129 Ca\n0.018731 0.831215 0.885574 Ca\n0.264480 0.331215 0.385574 Ca\n0.333542 0.249715 0.704257 Ca\n0.712485 0.749715 0.204257 Ca\n0.340826 0.663075 0.110247 Sn\n0.885854 0.163074 0.610247 Sn\n0.364752 0.854856 0.743194 S\n0.037198 0.354856 0.243194 S\n0.986644 0.941404 0.083795 S\n-0.011842 0.441404 0.583795 S\n0.124038 0.858372 0.523421 S\n0.613605 0.952570 0.367967 S\n0.586736 0.331746 0.514532 S\n0.566987 0.831746 0.014532 S\n0.065858 0.452570 0.867967 S\n0.697664 0.164793 0.789717 S\n0.494168 0.358372 0.023421 S\n0.347826 0.664793 0.289718 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.6241129857426713,
"density_atomic": 0.03687444433599925,
"volume": 596.6191598586927,
"volume_molar": 16.331475276281765,
"formula_full": "Ca8 Sn2 S12",
"formula_reduced": "Ca4SnS6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.9520248527272728,
"spacegroup": 9
},
{
"id": "jvasp-9539",
"created_at": "2022-09-04T14:37:28.448639Z",
"updated_at": "2022-09-04T14:37:28.448647Z",
"structure_string": "Zn2 Fe2 F8\n1.0\n-5.079452 0.007154 0.148803\n-0.008020 -5.254197 -0.007406\n2.359142 2.616262 5.071554\nZn Fe F\n2 2 8\ndirect\n0.265343 0.221392 0.509496 Zn\n0.765408 0.788740 0.509546 Zn\n-0.014866 0.531051 0.018886 Fe\n0.485176 -0.011476 0.018949 Fe\n0.366411 0.824175 0.263992 F\n0.179851 0.547109 0.771155 F\n0.684621 0.203602 0.708390 F\n0.679921 0.724770 0.771248 F\n0.766978 0.424141 0.216134 F\n0.866431 0.940408 0.264019 F\n0.266979 0.292613 0.216120 F\n0.184656 0.005505 0.708446 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zn",
"density": 4.7782551139503715,
"density_atomic": 0.08753056470960681,
"volume": 137.094968366895,
"volume_molar": 6.880043308276574,
"formula_full": "Zn2 Fe2 F8",
"formula_reduced": "ZnFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 9
},
{
"id": "jvasp-42451",
"created_at": "2022-09-04T14:37:29.368888Z",
"updated_at": "2022-09-04T14:37:29.368901Z",
"structure_string": "Li4 Co2 O2 F6\n1.0\n4.511267 2.716372 0.147366\n-4.511267 2.716372 -0.147366\n-0.077829 0.000000 5.751316\nLi Co O F\n4 2 2 6\ndirect\n0.285659 0.692586 0.679115 Li\n0.307414 0.714340 0.179114 Li\n0.625664 0.350617 0.865900 Li\n0.649383 0.374336 0.365900 Li\n0.056314 0.088728 0.520863 Co\n0.911272 0.943685 0.020862 Co\n0.937496 0.177420 0.791031 O\n0.822580 0.062503 0.291031 O\n0.492316 0.656573 0.924313 F\n0.343427 0.507684 0.424313 F\n0.415372 0.096898 0.610881 F\n0.909176 0.659176 0.607901 F\n0.340823 0.090824 0.107900 F\n0.903102 0.584627 0.110881 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"O",
"F"
],
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"density": 3.4339097777169436,
"density_atomic": 0.09927756004954344,
"volume": 141.01877597529034,
"volume_molar": 6.065963705186462,
"formula_full": "Li4 Co2 O2 F6",
"formula_reduced": "Li2CoOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7554421782142858,
"spacegroup": 9
},
{
"id": "jvasp-42793",
"created_at": "2022-09-04T14:37:30.295937Z",
"updated_at": "2022-09-04T14:37:30.295962Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.381310 -0.000704 -4.876545\n0.000000 5.420398 0.000560\n4.381310 0.000704 4.876545\nMn O F\n8 14 2\ndirect\n0.373586 0.352764 0.116043 Mn\n0.115707 0.668271 0.374194 Mn\n0.133956 0.852763 0.876414 Mn\n0.875806 0.168272 0.134292 Mn\n0.381832 0.128290 0.632819 Mn\n0.623351 0.854242 0.371150 Mn\n0.617181 0.628290 0.868168 Mn\n0.878850 0.354242 0.626649 Mn\n0.825220 0.385946 0.906037 O\n0.929572 0.390984 0.347787 O\n0.671632 0.610381 0.591188 O\n0.418901 0.380792 0.840604 O\n0.902213 0.890984 0.320428 O\n0.658812 0.110381 0.578368 O\n0.409395 0.880792 0.831099 O\n0.078629 0.618541 0.656825 O\n0.097404 0.111565 0.675995 O\n0.343962 0.885946 0.424780 O\n0.574006 0.611566 0.152595 O\n0.173117 0.618302 0.095467 O\n0.154533 0.118302 0.076883 O\n0.593175 0.118542 0.171371 O\n0.332569 0.379921 0.413413 F\n0.836587 0.879922 0.917431 F\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.02915371558646,
"density_atomic": 0.10361767832275098,
"volume": 231.62070786072033,
"volume_molar": 5.811885440283735,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.2682144790014367,
"spacegroup": 9
},
{
"id": "jvasp-52680",
"created_at": "2022-09-04T14:37:30.330279Z",
"updated_at": "2022-09-04T14:37:30.330290Z",
"structure_string": "Li10 Si2 P6\n1.0\n5.903647 -0.001980 0.003172\n-2.949615 6.402560 0.005050\n-0.005441 -2.863891 8.099261\nLi Si P\n10 2 6\ndirect\n0.083769 0.687392 0.420046 Li\n0.919439 0.320953 0.081900 Li\n0.910828 0.348154 0.578375 Li\n0.211894 0.996918 0.771958 Li\n0.401471 0.320954 0.581900 Li\n0.558408 0.646101 0.408490 Li\n0.087683 0.646104 0.908494 Li\n0.437308 0.348156 0.078373 Li\n0.784994 0.996914 0.271954 Li\n0.603582 0.687383 0.920042 Li\n0.676264 0.999112 0.696993 Si\n0.322813 0.999118 0.197000 Si\n0.329970 0.682469 0.172318 P\n0.035285 0.000200 0.037607 P\n0.352470 0.682465 0.672314 P\n0.964876 0.000194 0.537606 P\n0.647525 0.314705 0.326494 P\n0.667165 0.314707 0.826493 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Si",
"P"
],
"chemical_system": "Li-P-Si",
"density": 1.6888417831314975,
"density_atomic": 0.05878423774942613,
"volume": 306.20453184622136,
"volume_molar": 10.244482178488042,
"formula_full": "Li10 Si2 P6",
"formula_reduced": "Li5SiP3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.9678139,
"spacegroup": 9
},
{
"id": "jvasp-53054",
"created_at": "2022-09-04T14:37:30.587140Z",
"updated_at": "2022-09-04T14:37:30.587161Z",
"structure_string": "Ca4 Si2 O8\n1.0\n6.903807 0.993641 0.310235\n-2.591386 4.488412 -0.620472\n0.378986 -0.656422 5.902267\nCa Si O\n4 2 8\ndirect\n0.870194 0.889826 0.141853 Ca\n0.548423 0.768613 0.567989 Ca\n0.451577 0.220188 0.067988 Ca\n0.129806 0.019632 0.641853 Ca\n0.254418 0.632369 0.065462 Si\n0.745582 0.377949 0.565462 Si\n0.161647 0.845549 0.253062 O\n0.138458 0.286772 0.026487 O\n0.491604 0.711821 0.164452 O\n0.283658 0.739253 0.820700 O\n0.508396 0.220216 0.664452 O\n0.838353 0.683902 0.753063 O\n0.716343 0.455594 0.320700 O\n0.861542 0.148314 0.526488 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 2.932732689823245,
"density_atomic": 0.07177772267139497,
"volume": 195.04658937276807,
"volume_molar": 8.389985828290925,
"formula_full": "Ca4 Si2 O8",
"formula_reduced": "Ca2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.482674777142857,
"spacegroup": 9
}
]
}