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{
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"results": [
{
"id": "jvasp-120273",
"created_at": "2022-09-04T14:38:53.484361Z",
"updated_at": "2022-09-04T14:38:53.484389Z",
"structure_string": "K2 Se1\n1.0\n10.811675 -0.000000 0.000000\n-0.000000 10.811675 0.000000\n-0.000000 -0.000000 12.848540\nK Se\n2 1\ndirect\n0.000000 0.000000 0.219475 K\n0.000000 0.000000 0.780525 K\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
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"elements": [
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"density": 0.17375686670281298,
"density_atomic": 0.001997475721024455,
"volume": 1501.8956017454748,
"volume_molar": 301.48755735120506,
"formula_full": "K2 Se1",
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{
"id": "jvasp-117787",
"created_at": "2022-09-04T14:38:49.673679Z",
"updated_at": "2022-09-04T14:38:49.673715Z",
"structure_string": "I2 Br1\n1.0\n5.703309 0.000000 -0.000399\n0.000000 3.886129 0.000000\n-0.000580 0.000000 6.120553\nI Br\n2 1\ndirect\n-0.033381 0.000000 -0.033331 I\n-0.033250 0.000000 0.466683 I\n0.466631 0.000000 -0.033352 Br\n",
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"volume": 135.65467802430032,
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"formula_full": "I2 Br1",
"formula_reduced": "I2Br",
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"spacegroup": 47
},
{
"id": "jvasp-117639",
"created_at": "2022-09-04T14:38:53.527313Z",
"updated_at": "2022-09-04T14:38:53.527348Z",
"structure_string": "Be1 Br2\n1.0\n7.418932 0.000000 0.952778\n0.000000 4.061980 0.000000\n1.273390 0.000000 3.315605\nBe Br\n1 2\ndirect\n0.111274 0.000000 -0.137438 Be\n-0.188857 0.000000 0.162589 Br\n0.304678 0.000000 0.169275 Br\n",
"nsites": 3,
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"elements": [
"Be",
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],
"chemical_system": "Be-Br",
"density": 2.9511989743517706,
"density_atomic": 0.03158248397183188,
"volume": 94.98936190945815,
"volume_molar": 19.067976937377978,
"formula_full": "Be1 Br2",
"formula_reduced": "BeBr2",
"formula_anonymous": "AB2",
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"spacegroup": 25
},
{
"id": "jvasp-120945",
"created_at": "2022-09-04T14:38:53.530344Z",
"updated_at": "2022-09-04T14:38:53.530368Z",
"structure_string": "Ca2 Br1\n1.0\n3.688687 0.000000 0.000000\n0.000000 3.756475 0.000000\n0.000000 0.000000 8.335285\nCa Br\n2 1\ndirect\n-0.033349 0.000000 0.714825 Ca\n-0.033349 0.000000 0.285176 Ca\n0.466698 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"Br"
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"chemical_system": "Br-Ca",
"density": 2.3012253429640146,
"density_atomic": 0.02597457754704056,
"volume": 115.4975473447809,
"volume_molar": 23.184749584834496,
"formula_full": "Ca2 Br1",
"formula_reduced": "Ca2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1020401400000001,
"spacegroup": 47
},
{
"id": "jvasp-120336",
"created_at": "2022-09-04T14:38:53.545050Z",
"updated_at": "2022-09-04T14:38:53.545077Z",
"structure_string": "Mg1 Se2\n1.0\n4.909632 0.000000 0.000000\n-2.454816 4.251866 -0.000000\n-0.000000 -0.000000 3.892519\nMg Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Se\n0.666666 0.333333 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Se"
],
"chemical_system": "Mg-Se",
"density": 3.723898243870795,
"density_atomic": 0.03692002646440932,
"volume": 81.25671315246704,
"volume_molar": 16.31131214330333,
"formula_full": "Mg1 Se2",
"formula_reduced": "MgSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8534977888888888,
"spacegroup": 191
},
{
"id": "jvasp-117679",
"created_at": "2022-09-04T14:38:53.556263Z",
"updated_at": "2022-09-04T14:38:53.556287Z",
"structure_string": "Be1 Cl2\n1.0\n4.608125 -0.000000 0.000000\n-2.304062 3.990753 -0.000000\n-0.000000 -0.000000 3.845462\nBe Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.333333 0.666667 0.000000 Cl\n0.666666 0.333333 0.000000 Cl\n",
"nsites": 3,
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"elements": [
"Be",
"Cl"
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"chemical_system": "Be-Cl",
"density": 1.8765799384636455,
"density_atomic": 0.04242224331651691,
"volume": 70.7176180575053,
"volume_molar": 14.19571500514049,
"formula_full": "Be1 Cl2",
"formula_reduced": "BeCl2",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-117865",
"created_at": "2022-09-04T14:38:53.566314Z",
"updated_at": "2022-09-04T14:38:53.566338Z",
"structure_string": "Pb2 Br1\n1.0\n5.758778 0.000000 1.645019\n0.000000 3.420564 0.000000\n1.695310 0.000000 6.089804\nPb Br\n2 1\ndirect\n-0.098277 0.000000 0.038846 Pb\n0.031415 0.000000 0.474714 Pb\n0.466863 0.000000 -0.113560 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Br-Pb",
"density": 7.433585800804014,
"density_atomic": 0.027169171234371545,
"volume": 110.41926800493344,
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"formula_full": "Pb2 Br1",
"formula_reduced": "Pb2Br",
"formula_anonymous": "AB2",
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"spacegroup": 38
},
{
"id": "jvasp-121332",
"created_at": "2022-09-04T14:38:50.179562Z",
"updated_at": "2022-09-04T14:38:50.179580Z",
"structure_string": "N16 F8\n1.0\n4.120425 0.000000 0.000000\n0.000000 8.013652 0.000000\n-0.000000 0.000000 12.832996\nN F\n16 8\ndirect\n-0.062935 0.374211 0.444627 N\n0.430186 0.247500 0.276464 N\n0.069815 0.752500 0.776464 N\n0.569815 0.747500 0.223536 N\n-0.069815 0.252500 0.723536 N\n0.980941 0.510595 0.448455 N\n0.480940 0.989404 0.551545 N\n0.019061 0.010596 0.051545 N\n0.519061 0.489404 0.948456 N\n0.538193 0.151709 0.224531 N\n0.038193 0.348291 0.775469 N\n0.461808 0.651709 0.275469 N\n0.437066 0.125789 0.555373 N\n0.062935 0.874211 0.055373 N\n0.562935 0.625789 0.944627 N\n0.961808 0.848291 0.724532 N\n0.015725 0.494256 0.124973 F\n0.009037 0.324909 0.086264 F\n0.490964 0.675090 0.586264 F\n0.990965 0.824909 0.413736 F\n0.509037 0.175091 0.913736 F\n-0.015725 -0.005744 0.375027 F\n0.515725 0.005744 0.875027 F\n0.484276 0.505744 0.624973 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"N",
"F"
],
"chemical_system": "F-N",
"density": 1.4738233831771457,
"density_atomic": 0.05663836271614909,
"volume": 423.7410625776611,
"volume_molar": 10.632618019311018,
"formula_full": "N16 F8",
"formula_reduced": "N2F",
"formula_anonymous": "AB2",
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"spacegroup": 19
},
{
"id": "jvasp-117698",
"created_at": "2022-09-04T14:38:53.625097Z",
"updated_at": "2022-09-04T14:38:53.625125Z",
"structure_string": "Be1 S2\n1.0\n3.526341 -0.573599 -0.168301\n1.248222 -5.196625 0.166486\n0.511514 -3.966576 -3.108439\nBe S\n1 2\ndirect\n0.006443 0.934110 0.964963 Be\n0.908015 0.375889 0.333119 S\n0.451795 0.840750 0.248568 S\n",
"nsites": 3,
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"elements": [
"Be",
"S"
],
"chemical_system": "Be-S",
"density": 2.115853363786273,
"density_atomic": 0.05226245556350962,
"volume": 57.40258408551783,
"volume_molar": 11.522881378357477,
"formula_full": "Be1 S2",
"formula_reduced": "BeS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4749687000000002,
"spacegroup": 5
},
{
"id": "jvasp-121292",
"created_at": "2022-09-04T14:38:50.109164Z",
"updated_at": "2022-09-04T14:38:50.109188Z",
"structure_string": "Au1 Br2\n1.0\n6.399399 -0.148431 0.636865\n2.069275 -5.953274 0.982484\n-0.559769 2.954428 -2.758204\nAu Br\n1 2\ndirect\n0.965326 0.064222 0.147837 Au\n0.235092 0.485606 0.817440 Br\n0.695578 0.642776 0.478122 Br\n",
"nsites": 3,
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"elements": [
"Au",
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],
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"density": 6.769903791091073,
"density_atomic": 0.03428157479663054,
"volume": 87.5105655967375,
"volume_molar": 17.56669813369222,
"formula_full": "Au1 Br2",
"formula_reduced": "AuBr2",
"formula_anonymous": "AB2",
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"spacegroup": 2
},
{
"id": "jvasp-118748",
"created_at": "2022-09-04T14:38:53.633549Z",
"updated_at": "2022-09-04T14:38:53.633577Z",
"structure_string": "N2 Cl1\n1.0\n4.195051 0.000000 0.000000\n0.000000 6.897198 0.000000\n0.000000 0.000000 2.632190\nN Cl\n2 1\ndirect\n0.131981 0.939999 0.000000 N\n0.868019 0.939999 0.000000 N\n0.000000 0.440002 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Cl-N",
"density": 1.3837759827417477,
"density_atomic": 0.03939073470966343,
"volume": 76.1600417487017,
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"formula_full": "N2 Cl1",
"formula_reduced": "N2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 3.1724135224999994,
"spacegroup": 47
},
{
"id": "jvasp-118920",
"created_at": "2022-09-04T14:38:53.650199Z",
"updated_at": "2022-09-04T14:38:53.650225Z",
"structure_string": "Mg2 N1\n1.0\n3.090808 0.000000 0.000000\n0.000000 3.473477 0.000000\n0.000000 0.000000 5.716019\nMg N\n2 1\ndirect\n-0.033330 0.000000 0.773020 Mg\n-0.033330 0.000000 0.226980 Mg\n0.466660 0.000000 0.000000 N\n",
"nsites": 3,
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"elements": [
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"density": 1.6943735156558268,
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"volume": 61.366325435821345,
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"formula_full": "Mg2 N1",
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}
]
}