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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4423",
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"results": [
{
"id": "jvasp-13166",
"created_at": "2022-09-04T14:38:17.478975Z",
"updated_at": "2022-09-04T14:38:17.479007Z",
"structure_string": "Li1 Co1 P2 O7\n1.0\n4.397738 -0.024037 -0.030553\n-0.721752 5.040917 0.038369\n-0.722322 -1.237166 4.886849\nLi Co P O\n1 1 2 7\ndirect\n0.723585 0.083134 0.309116 Li\n0.723655 0.451862 0.940282 Co\n0.132120 0.005301 0.806458 P\n0.315197 0.585686 0.386832 P\n0.465157 0.456882 0.600397 O\n-0.000138 0.397511 0.239875 O\n0.532548 0.681189 0.199975 O\n0.447438 0.152277 0.994644 O\n0.223679 0.872735 0.519421 O\n0.914768 0.192159 0.710967 O\n0.982177 0.791710 0.935236 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.6763586048329646,
"density_atomic": 0.10155014534701909,
"volume": 108.320869087982,
"volume_molar": 5.930213826303277,
"formula_full": "Li1 Co1 P2 O7",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.764733309090909,
"spacegroup": 5
},
{
"id": "jvasp-52116",
"created_at": "2022-09-04T14:38:18.295041Z",
"updated_at": "2022-09-04T14:38:18.295052Z",
"structure_string": "Cr1 P2 O7\n1.0\n4.993990 -0.027269 -0.721812\n0.982321 4.896501 0.721812\n-0.003778 0.004637 4.484361\nCr P O\n1 2 7\ndirect\n0.111021 0.111020 0.000000 Cr\n0.263284 0.667030 0.590822 P\n0.667030 0.263285 0.409178 P\n0.551600 0.551601 0.499999 O\n0.149198 0.428158 0.731935 O\n0.073950 0.811584 0.291285 O\n0.332211 0.858472 0.814425 O\n0.811582 0.073950 0.708716 O\n0.858473 0.332210 0.185573 O\n0.428158 0.149199 0.268065 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.418717655901123,
"density_atomic": 0.09112176434356398,
"volume": 109.74326575038832,
"volume_molar": 6.608893938109254,
"formula_full": "Cr1 P2 O7",
"formula_reduced": "CrP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.09605129,
"spacegroup": 5
},
{
"id": "jvasp-44074",
"created_at": "2022-09-04T14:38:17.727310Z",
"updated_at": "2022-09-04T14:38:17.727332Z",
"structure_string": "Li4 Fe3 Si3 O12\n1.0\n4.312982 0.004990 0.004571\n-2.150905 -4.903431 0.074909\n-2.144753 0.683281 -11.660274\nLi Fe Si O\n4 3 3 12\ndirect\n0.251116 0.917071 0.579815 Li\n0.754122 0.749308 0.753549 Li\n0.750082 0.422157 0.081918 Li\n0.246098 0.244778 0.251374 Li\n0.501620 0.833508 0.166692 Fe\n0.491699 0.488990 0.496193 Fe\n0.506401 0.177436 0.837116 Fe\n0.995998 0.664798 0.332712 Si\n0.005396 0.333197 0.666663 Si\n0.998569 0.002048 0.000629 Si\n0.866458 0.248176 0.968144 O\n0.343078 0.443043 0.773744 O\n0.337105 0.113532 0.110457 O\n0.650193 0.418623 0.365143 O\n0.113263 0.553422 0.222862 O\n0.108590 0.911885 0.886742 O\n0.888606 0.587772 0.628272 O\n0.896593 0.921417 0.288792 O\n0.309958 0.754684 0.446621 O\n0.126176 0.223370 0.559584 O\n0.686456 0.745514 0.044584 O\n0.672434 0.078606 0.705057 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.180507946425372,
"density_atomic": 0.08936014912203172,
"volume": 246.1947547777302,
"volume_molar": 6.739179398387154,
"formula_full": "Li4 Fe3 Si3 O12",
"formula_reduced": "Li4Fe3(SiO4)3",
"formula_anonymous": "A3B3C4D12",
"energy_above_hull": 2.867868831818181,
"spacegroup": 5
},
{
"id": "jvasp-46716",
"created_at": "2022-09-04T14:38:18.197426Z",
"updated_at": "2022-09-04T14:38:18.197446Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n2.562411 1.487347 -3.914036\n-2.562411 4.182149 0.203736\n5.109736 2.687328 4.106350\nLi Mn P O\n1 2 2 8\ndirect\n0.495535 0.495535 0.000000 Li\n0.959826 0.959827 0.000000 Mn\n0.548530 0.548530 0.500000 Mn\n0.479571 0.016694 0.249494 P\n0.016694 0.479571 0.750506 P\n0.564119 0.712472 0.239207 O\n0.636999 0.152084 0.075981 O\n0.147885 0.568866 0.562933 O\n0.172696 0.044727 0.220740 O\n0.044727 0.172696 0.779260 O\n0.568866 0.147885 0.437067 O\n0.152084 0.636999 0.924020 O\n0.712472 0.564119 0.760794 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.989451930365447,
"density_atomic": 0.07629346920902949,
"volume": 170.39466332802996,
"volume_molar": 7.893389594724664,
"formula_full": "Li1 Mn2 P2 O8",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091887960212202,
"spacegroup": 5
},
{
"id": "jvasp-52207",
"created_at": "2022-09-04T14:38:19.622547Z",
"updated_at": "2022-09-04T14:38:19.622568Z",
"structure_string": "Li1 Ti1 P2 O7\n1.0\n3.288623 4.134178 0.023121\n-3.288623 4.134178 -0.023121\n-1.096202 0.000000 4.434063\nLi Ti P O\n1 1 2 7\ndirect\n0.749915 0.749915 0.000000 Li\n0.125461 0.125461 0.000000 Ti\n0.252456 0.668437 0.588899 P\n0.668437 0.252456 0.411101 P\n0.071822 0.814109 0.289925 O\n0.346262 0.844794 0.799335 O\n0.129263 0.466152 0.745320 O\n0.526178 0.526178 0.500000 O\n0.466152 0.129263 0.254680 O\n0.844795 0.346262 0.200664 O\n0.814110 0.071822 0.710074 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 3.1450198741145075,
"density_atomic": 0.09107587774926383,
"volume": 120.7784132510204,
"volume_molar": 6.612223685155401,
"formula_full": "Li1 Ti1 P2 O7",
"formula_reduced": "LiTiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.777812166666666,
"spacegroup": 5
},
{
"id": "jvasp-111396",
"created_at": "2022-09-04T14:38:26.378213Z",
"updated_at": "2022-09-04T14:38:26.378240Z",
"structure_string": "Fe1 P2 O7\n1.0\n5.011367 0.014015 0.723643\n-1.024444 4.905559 0.723643\n-0.002012 -0.002482 4.478708\nFe P O\n1 2 7\ndirect\n0.887798 0.112202 -0.000001 Fe\n0.736294 0.667593 0.592897 P\n0.332407 0.263707 0.407102 P\n0.448151 0.551850 0.499999 O\n0.146357 0.339468 0.179824 O\n0.569298 0.144686 0.272690 O\n0.660534 0.853644 0.820175 O\n0.855315 0.430702 0.727309 O\n0.928458 0.811338 0.293721 O\n0.188661 0.071543 0.706278 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.4630217591025914,
"density_atomic": 0.09075658907484607,
"volume": 110.1848372877158,
"volume_molar": 6.635485997643212,
"formula_full": "Fe1 P2 O7",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9590511,
"spacegroup": 5
},
{
"id": "jvasp-117347",
"created_at": "2022-09-04T14:38:26.483302Z",
"updated_at": "2022-09-04T14:38:26.483321Z",
"structure_string": "Sb4 Cl14 F6\n1.0\n7.476133 0.035048 6.368280\n3.616891 6.543080 6.368280\n0.048542 0.028785 12.698373\nSb Cl F\n4 14 6\ndirect\n0.243785 0.212183 0.821663 Sb\n0.787817 0.756215 0.178337 Sb\n0.011065 0.890586 0.276460 Sb\n0.109414 -0.011065 0.723540 Sb\n0.099341 0.450329 0.189279 Cl\n0.549670 0.900659 0.810721 Cl\n0.289891 0.135124 0.479326 Cl\n0.864876 0.710109 0.520674 Cl\n0.600743 0.650011 0.431863 Cl\n0.349989 0.399257 0.568137 Cl\n0.701269 0.697760 0.083765 Cl\n0.310649 0.605881 0.208363 Cl\n0.394118 0.689351 0.791637 Cl\n0.787255 0.282265 0.738899 Cl\n0.717735 0.212745 0.261101 Cl\n0.041077 0.839201 0.688024 Cl\n0.160799 -0.041077 0.311975 Cl\n0.302239 0.298731 0.916235 Cl\n0.119083 0.042452 0.038132 F\n0.144257 0.116838 0.787929 F\n0.883162 0.855743 0.212071 F\n-0.037603 0.423195 0.855231 F\n0.576805 0.037602 0.144768 F\n0.957547 0.880918 0.961868 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"F"
],
"chemical_system": "Cl-F-Sb",
"density": 2.9541534481485576,
"density_atomic": 0.0389082012697363,
"volume": 616.8365336042341,
"volume_molar": 15.477818463646532,
"formula_full": "Sb4 Cl14 F6",
"formula_reduced": "Sb2Cl7F3",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 0.2896623424739584,
"spacegroup": 5
},
{
"id": "jvasp-117408",
"created_at": "2022-09-04T14:38:26.524843Z",
"updated_at": "2022-09-04T14:38:26.524872Z",
"structure_string": "Li1 Ni1 P2 O7\n1.0\n5.083834 -0.006608 0.780330\n-1.198307 4.940595 0.780330\n0.021517 0.027324 4.433638\nLi Ni P O\n1 1 2 7\ndirect\n0.492815 0.507184 0.000000 Li\n0.122085 0.877913 0.000000 Ni\n0.573957 0.010294 0.407283 P\n0.989705 0.426042 0.592718 P\n0.423942 0.819974 0.719268 O\n0.395940 0.110356 0.189018 O\n0.782513 0.873049 0.263324 O\n0.126950 0.217485 0.736677 O\n0.180024 0.576056 0.280733 O\n0.709908 0.290090 0.500000 O\n0.889643 0.604059 0.810983 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.580544195617182,
"density_atomic": 0.09900250686889872,
"volume": 111.10829763701277,
"volume_molar": 6.082816436127875,
"formula_full": "Li1 Ni1 P2 O7",
"formula_reduced": "LiNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.521967990909091,
"spacegroup": 5
},
{
"id": "jvasp-112336",
"created_at": "2022-09-04T14:38:27.108994Z",
"updated_at": "2022-09-04T14:38:27.109014Z",
"structure_string": "Zn1 Cu1 P2 O7\n1.0\n5.234282 -0.040893 1.035708\n-1.254028 5.082007 1.035708\n-0.033770 -0.042771 4.557095\nZn Cu P O\n1 1 2 7\ndirect\n0.318921 0.681079 0.500000 Zn\n0.699429 0.300572 0.500000 Cu\n0.212755 0.203132 0.092016 P\n0.796868 0.787246 0.907984 P\n0.073333 0.369077 0.278964 O\n0.365039 0.045883 0.270103 O\n0.954117 0.634962 0.729896 O\n0.630923 0.926668 0.721036 O\n0.392247 0.371517 0.782123 O\n0.628484 0.607753 0.217876 O\n-0.015316 0.015316 -0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"P",
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],
"chemical_system": "Cu-O-P-Zn",
"density": 4.141254196624109,
"density_atomic": 0.0905687985054434,
"volume": 121.45463097138109,
"volume_molar": 6.649244396941023,
"formula_full": "Zn1 Cu1 P2 O7",
"formula_reduced": "ZnCuP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.1200387590909084,
"spacegroup": 5
},
{
"id": "jvasp-117421",
"created_at": "2022-09-04T14:38:27.381073Z",
"updated_at": "2022-09-04T14:38:27.381097Z",
"structure_string": "Li3 Y1 Ni2 O6\n1.0\n5.218352 0.011899 -0.778855\n2.857840 4.368008 0.774255\n0.004848 -0.006262 5.128341\nLi Y Ni O\n3 1 2 6\ndirect\n0.195463 0.195662 0.499987 Li\n0.473606 0.473305 0.500126 Li\n0.808313 0.807892 0.500161 Li\n0.003606 0.003462 0.000139 Y\n0.336100 0.336159 -0.000036 Ni\n0.667442 0.667538 -0.000078 Ni\n0.292897 0.693041 0.765627 O\n0.087261 0.560502 0.230434 O\n0.428308 0.953727 0.230457 O\n0.953551 0.428087 0.769475 O\n0.560526 0.087240 0.769547 O\n0.692923 0.293389 0.234160 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-Ni-O-Y",
"density": 4.5946186547668955,
"density_atomic": 0.10276103396486783,
"volume": 116.7757810232095,
"volume_molar": 5.860334922339204,
"formula_full": "Li3 Y1 Ni2 O6",
"formula_reduced": "Li3Y(NiO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.0230634375,
"spacegroup": 5
},
{
"id": "jvasp-117412",
"created_at": "2022-09-04T14:38:27.327042Z",
"updated_at": "2022-09-04T14:38:27.327063Z",
"structure_string": "Li3 Fe7 O12\n1.0\n4.908449 0.037548 0.460280\n-2.606419 4.159431 0.460280\n-0.039777 -0.072519 9.558598\nLi Fe O\n3 7 12\ndirect\n0.676731 0.838797 0.243574 Li\n0.161202 0.323269 0.756426 Li\n0.078630 0.921370 0.000000 Li\n0.922943 0.077058 0.500000 Fe\n0.002357 0.516504 0.236228 Fe\n0.746534 0.253467 -0.000000 Fe\n0.483496 0.997643 0.763772 Fe\n0.582096 0.417904 0.500000 Fe\n0.425976 0.574024 -0.000000 Fe\n0.244348 0.755651 0.500000 Fe\n0.036057 0.224866 0.113945 O\n0.394821 0.864342 0.112120 O\n0.533345 0.715404 0.608156 O\n0.220281 0.050295 0.615262 O\n0.775133 0.963943 0.886055 O\n0.873071 0.362799 0.608020 O\n0.706513 0.534791 0.115828 O\n0.949705 0.779719 0.384739 O\n0.637202 0.126929 0.391980 O\n0.284595 0.466654 0.391844 O\n0.465208 0.293487 0.884172 O\n0.135657 0.605179 0.887880 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 5.104122721355614,
"density_atomic": 0.11200859735641809,
"volume": 196.41349431414338,
"volume_molar": 5.376498681469232,
"formula_full": "Li3 Fe7 O12",
"formula_reduced": "Li3Fe7O12",
"formula_anonymous": "A3B7C12",
"energy_above_hull": 3.107522295454545,
"spacegroup": 5
},
{
"id": "jvasp-109705",
"created_at": "2022-09-04T14:38:27.767194Z",
"updated_at": "2022-09-04T14:38:27.767218Z",
"structure_string": "Mo2 H2 O6\n1.0\n8.130342 0.184360 0.347546\n7.156351 3.863042 0.347546\n0.090198 0.023881 3.744812\nMo H O\n2 2 6\ndirect\n0.103430 0.070664 0.238027 Mo\n0.929336 0.896570 0.761974 Mo\n0.566496 0.955155 0.954700 H\n0.044844 0.433505 0.045301 H\n0.966138 0.932234 0.257165 O\n0.067766 0.033862 0.742837 O\n0.606378 0.571440 0.239877 O\n0.428560 0.393622 0.760125 O\n0.229827 0.182770 0.138266 O\n0.817231 0.770172 0.861736 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"H",
"O"
],
"chemical_system": "H-Mo-O",
"density": 4.276918556383346,
"density_atomic": 0.08884750423328726,
"volume": 112.55240185186247,
"volume_molar": 6.778064068280005,
"formula_full": "Mo2 H2 O6",
"formula_reduced": "MoHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.0189972800000007,
"spacegroup": 5
}
]
}