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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4350",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4348",
"results": [
{
"id": "jvasp-112617",
"created_at": "2022-09-04T14:38:42.771132Z",
"updated_at": "2022-09-04T14:38:42.771159Z",
"structure_string": "Y4 Cr1 S7\n1.0\n6.248323 -0.006454 1.698876\n5.099960 3.609984 1.698876\n0.024367 0.007737 11.407309\nY Cr S\n4 1 7\ndirect\n0.687256 0.687257 0.218883 Y\n0.301505 0.301506 0.806474 Y\n0.992909 0.992909 0.007063 Y\n0.117523 0.117523 0.564506 Y\n0.888946 0.888947 0.423696 Cr\n0.752461 0.752462 0.633150 S\n0.278339 0.278339 0.354560 S\n0.329291 0.329291 0.056431 S\n0.654335 0.654336 0.946822 S\n0.027120 0.027121 0.228570 S\n0.963236 0.963237 0.783005 S\n0.507076 0.507076 0.476846 S\n",
"nsites": 12,
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"elements": [
"Y",
"Cr",
"S"
],
"chemical_system": "Cr-S-Y",
"density": 4.075772908907455,
"density_atomic": 0.046598706016555094,
"volume": 257.51788034064225,
"volume_molar": 12.923407696901537,
"formula_full": "Y4 Cr1 S7",
"formula_reduced": "Y4CrS7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.8551557666666665,
"spacegroup": 8
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{
"id": "jvasp-116182",
"created_at": "2022-09-04T14:38:41.999265Z",
"updated_at": "2022-09-04T14:38:41.999296Z",
"structure_string": "I2 N1\n1.0\n4.107954 -0.149355 0.340757\n-2.549304 -3.244277 0.052189\n-1.299231 -1.271688 -6.428743\nI N\n2 1\ndirect\n0.802244 0.180311 0.352865 I\n0.650728 0.315601 0.814843 I\n0.880743 0.098666 0.083979 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"N"
],
"chemical_system": "I-N",
"density": 5.049201756584486,
"density_atomic": 0.034061121726459705,
"volume": 88.07695836010913,
"volume_molar": 17.680394698574535,
"formula_full": "I2 N1",
"formula_reduced": "I2N",
"formula_anonymous": "AB2",
"energy_above_hull": 1.659021933333333,
"spacegroup": 8
},
{
"id": "jvasp-112615",
"created_at": "2022-09-04T14:38:41.812433Z",
"updated_at": "2022-09-04T14:38:41.812449Z",
"structure_string": "Zr2 Ti1 Pb3 O9\n1.0\n9.147398 -0.028302 0.051510\n-7.301320 5.510574 0.051510\n-0.007504 -0.022286 4.229672\nZr Ti Pb O\n2 1 3 9\ndirect\n0.354975 0.686506 0.030490 Zr\n0.686506 0.354976 0.030490 Zr\n0.017955 0.017955 0.051471 Ti\n0.205797 0.890116 0.584577 Pb\n0.535852 0.535852 0.593532 Pb\n0.890118 0.205797 0.584577 Pb\n0.328668 0.169501 0.972358 O\n0.691285 0.850049 0.972151 O\n0.998775 0.486595 0.978776 O\n0.486595 0.998773 0.978776 O\n0.850050 0.691284 0.972151 O\n0.169502 0.328667 0.972358 O\n0.652287 0.332825 0.506231 O\n0.009145 0.009145 0.476166 O\n0.332825 0.652286 0.506231 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 7.7876950203717055,
"density_atomic": 0.07063682631159993,
"volume": 212.35382141647426,
"volume_molar": 8.52549735662607,
"formula_full": "Zr2 Ti1 Pb3 O9",
"formula_reduced": "Zr2Ti(PbO3)3",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.712944086222223,
"spacegroup": 8
},
{
"id": "jvasp-116128",
"created_at": "2022-09-04T14:38:41.864900Z",
"updated_at": "2022-09-04T14:38:41.864932Z",
"structure_string": "Li2 H2 O2\n1.0\n4.826323 -1.556036 0.506051\n4.826323 1.556036 0.506051\n-0.588098 0.000000 2.917085\nLi H O\n2 2 2\ndirect\n0.578289 0.578289 0.725152 Li\n0.285006 0.285006 -0.075896 Li\n0.886082 0.886082 0.533806 H\n0.061870 0.061870 0.197260 H\n0.904420 0.904420 0.863692 O\n0.152835 0.152835 0.378429 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.7776844100946805,
"density_atomic": 0.1341069871416638,
"volume": 44.74039815436242,
"volume_molar": 4.4905495890669105,
"formula_full": "Li2 H2 O2",
"formula_reduced": "LiHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1561145000000002,
"spacegroup": 8
},
{
"id": "jvasp-114473",
"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.4276034592347093,
"density_atomic": 0.032957469786179486,
"volume": 121.36854030212525,
"volume_molar": 18.27246083837828,
"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9300812245833334,
"spacegroup": 8
},
{
"id": "jvasp-116508",
"created_at": "2022-09-04T14:38:41.930724Z",
"updated_at": "2022-09-04T14:38:41.930752Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.728320 -0.041345 3.856318\n8.277984 2.767717 3.856318\n0.191094 0.030635 9.485237\nLi Mn Co O\n8 2 4 14\ndirect\n0.342571 0.342573 0.076773 Li\n0.083425 0.083427 0.202242 Li\n0.786438 0.786443 0.353066 Li\n0.498133 0.498138 0.500170 Li\n0.215787 0.215790 0.649301 Li\n0.924708 0.924717 0.783910 Li\n0.650485 0.650492 0.933434 Li\n0.713852 0.713857 0.134852 Li\n0.999405 0.999411 0.000546 Mn\n0.145942 0.145944 0.422298 Mn\n0.569957 0.569963 0.715542 Co\n0.284698 0.284702 0.861712 Co\n0.429148 0.429151 0.285159 Co\n0.857830 0.857838 0.570891 Co\n0.818752 0.818760 0.951881 O\n0.469399 0.469405 0.897222 O\n0.184069 0.184070 0.023954 O\n0.900266 0.900272 0.178868 O\n0.608810 0.608814 0.337244 O\n0.330694 0.330698 0.465754 O\n0.041413 0.041416 0.613425 O\n0.758727 0.758734 0.749567 O\n0.243077 0.243080 0.269865 O\n0.956996 0.957003 0.387627 O\n0.670198 0.670204 0.539134 O\n0.386330 0.386335 0.673571 O\n0.098708 0.098712 0.819384 O\n0.530111 0.530114 0.102618 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.508109002255238,
"density_atomic": 0.12160013692974367,
"volume": 230.2628986032921,
"volume_molar": 4.952412811409401,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5554181100985223,
"spacegroup": 8
},
{
"id": "jvasp-116326",
"created_at": "2022-09-04T14:38:42.351422Z",
"updated_at": "2022-09-04T14:38:42.351447Z",
"structure_string": "Mg1 Ti1 O3\n1.0\n2.635892 -2.671050 -0.157483\n2.635892 2.671050 -0.157483\n-1.108711 0.000000 4.831353\nMg Ti O\n1 1 3\ndirect\n0.442895 0.442895 0.718231 Mg\n0.033676 0.033676 0.016818 Ti\n0.495827 -0.014073 0.888504 O\n-0.014073 0.495827 0.888504 O\n0.155034 0.155034 0.374593 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 2.9739462093253017,
"density_atomic": 0.07451732081420577,
"volume": 67.0984939523861,
"volume_molar": 8.081531507305556,
"formula_full": "Mg1 Ti1 O3",
"formula_reduced": "MgTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5650415766666663,
"spacegroup": 8
},
{
"id": "jvasp-114578",
"created_at": "2022-09-04T14:38:42.446843Z",
"updated_at": "2022-09-04T14:38:42.446868Z",
"structure_string": "Ba1 O3\n1.0\n4.264211 -0.930223 0.401143\n0.819642 -3.787508 -0.452435\n-0.563454 2.574482 -3.724310\nBa O\n1 3\ndirect\n0.324432 0.326054 0.600258 Ba\n0.015515 0.119562 0.901314 O\n0.625831 0.506261 0.291101 O\n0.838944 0.542467 0.117308 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"O"
],
"chemical_system": "Ba-O",
"density": 4.961072269077491,
"density_atomic": 0.06448400009333183,
"volume": 62.030891294127905,
"volume_molar": 9.33896897103742,
"formula_full": "Ba1 O3",
"formula_reduced": "BaO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.70793425,
"spacegroup": 8
},
{
"id": "jvasp-114810",
"created_at": "2022-09-04T14:38:43.853795Z",
"updated_at": "2022-09-04T14:38:43.853825Z",
"structure_string": "Rb1 S3 Cl1\n1.0\n3.004604 1.307726 4.426062\n-4.196673 2.422950 3.822424\n0.369778 -3.255927 4.426062\nRb S Cl\n1 3 1\ndirect\n0.234810 0.752745 0.234808 Rb\n-0.073609 0.265836 0.531839 S\n0.891332 0.033992 0.891329 S\n0.531840 0.265836 -0.073611 S\n0.540626 -0.193409 0.540625 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"S",
"Cl"
],
"chemical_system": "Cl-Rb-S",
"density": 2.3677415245998144,
"density_atomic": 0.03283702233868896,
"volume": 152.26715590801126,
"volume_molar": 18.33948492005819,
"formula_full": "Rb1 S3 Cl1",
"formula_reduced": "RbS3Cl",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.080478542333333,
"spacegroup": 8
},
{
"id": "jvasp-116507",
"created_at": "2022-09-04T14:38:42.474699Z",
"updated_at": "2022-09-04T14:38:42.474718Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.510073211913051,
"density_atomic": 0.1216531188259732,
"volume": 230.16261539545454,
"volume_molar": 4.950255955718465,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5553188243842366,
"spacegroup": 8
},
{
"id": "jvasp-112754",
"created_at": "2022-09-04T14:38:42.855428Z",
"updated_at": "2022-09-04T14:38:42.855450Z",
"structure_string": "Ti2 V6 O16\n1.0\n3.558566 0.000564 -1.097176\n-1.108257 12.359038 2.732042\n-0.000599 -0.023494 6.318103\nTi V O\n2 6 16\ndirect\n0.696165 0.641582 0.750919 Ti\n0.696304 0.141581 0.250897 Ti\n0.399100 0.647132 0.151224 V\n0.600029 0.352292 0.847641 V\n0.303741 0.359309 0.247925 V\n0.399261 0.147132 0.651204 V\n0.599835 0.852290 0.347668 V\n0.303600 0.859309 0.747952 V\n0.764596 0.328209 0.200782 O\n0.764450 0.828210 0.700806 O\n0.634193 -0.001209 0.269702 O\n0.634262 0.498793 0.769704 O\n0.557151 0.183954 0.930168 O\n0.556940 0.683952 0.430192 O\n0.442951 0.317482 0.568217 O\n0.237321 0.174319 0.300186 O\n0.361640 0.497762 0.225447 O\n0.361652 0.997764 0.725454 O\n0.867761 0.649448 0.086216 O\n0.237186 0.674319 0.800210 O\n0.135674 0.349720 0.921507 O\n0.135520 0.849719 0.421533 O\n0.442764 0.817481 0.068240 O\n0.867903 0.149450 0.586193 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 3.925627791891501,
"density_atomic": 0.08630960659731587,
"volume": 278.06869879472225,
"volume_molar": 6.977370187882748,
"formula_full": "Ti2 V6 O16",
"formula_reduced": "TiV3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4537932444444444,
"spacegroup": 8
},
{
"id": "jvasp-114682",
"created_at": "2022-09-04T14:38:42.883584Z",
"updated_at": "2022-09-04T14:38:42.883611Z",
"structure_string": "H2 C1 O1\n1.0\n2.508715 -1.634986 0.323291\n2.508715 1.634986 0.323291\n-0.983809 0.000000 4.004842\nH C O\n2 1 1\ndirect\n0.760116 0.760116 0.278050 H\n0.456690 0.456690 0.814033 H\n0.654064 0.654064 0.718777 C\n0.600191 0.600191 0.399140 O\n",
"nsites": 4,
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"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4710596224570582,
"density_atomic": 0.11801683896212971,
"volume": 33.893468382792015,
"volume_molar": 5.102780936144577,
"formula_full": "H2 C1 O1",
"formula_reduced": "H2CO",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.433705875,
"spacegroup": 8
}
]
}