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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4210",
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"results": [
{
"id": "jvasp-63423",
"created_at": "2022-09-04T14:35:44.314190Z",
"updated_at": "2022-09-04T14:35:44.314219Z",
"structure_string": "Li4 Mg4 As4 O16\n1.0\n4.915941 0.000000 0.000000\n0.000000 5.986967 0.000000\n0.000000 0.000000 10.480361\nLi Mg As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.992674 0.750000 0.726331 Mg\n0.492674 0.250000 0.773669 Mg\n0.007326 0.250000 0.273669 Mg\n0.507326 0.750000 0.226331 Mg\n0.065553 0.750000 0.406794 As\n0.565553 0.250000 0.093206 As\n0.934447 0.250000 0.593206 As\n0.434447 0.750000 0.906794 As\n0.224218 0.970949 0.329571 O\n0.724218 0.029052 0.170429 O\n0.224218 0.529052 0.329571 O\n0.724218 0.470949 0.170429 O\n0.775781 0.029052 0.670429 O\n0.275781 0.970949 0.829571 O\n0.293211 0.750000 0.057012 O\n0.281429 0.250000 0.596295 O\n0.706789 0.250000 0.942987 O\n0.206789 0.750000 0.557012 O\n0.718571 0.750000 0.403705 O\n0.218571 0.250000 0.096295 O\n0.275781 0.529052 0.829571 O\n0.781429 0.750000 0.903705 O\n0.793211 0.250000 0.442987 O\n0.775781 0.470949 0.670429 O\n",
"nsites": 28,
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"elements": [
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"As",
"O"
],
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"density": 3.6642919515294627,
"density_atomic": 0.0907754191093711,
"volume": 308.45354694825585,
"volume_molar": 6.63410956301309,
"formula_full": "Li4 Mg4 As4 O16",
"formula_reduced": "LiMgAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6175164000000002,
"spacegroup": 62
},
{
"id": "jvasp-110220",
"created_at": "2022-09-04T14:38:20.740134Z",
"updated_at": "2022-09-04T14:38:20.740148Z",
"structure_string": "Li2 Mg1 Cd1 P2\n1.0\n4.286411 0.000000 0.000000\n0.000000 4.286411 0.000000\n0.000000 0.000000 6.051321\nLi Mg Cd P\n2 1 1 2\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.760473 P\n-0.000000 0.500000 0.239526 P\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Cd",
"P"
],
"chemical_system": "Cd-Li-Mg-P",
"density": 3.1744116787347965,
"density_atomic": 0.053965156093718124,
"volume": 111.18285268331573,
"volume_molar": 11.15931314928785,
"formula_full": "Li2 Mg1 Cd1 P2",
"formula_reduced": "Li2MgCdP2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.7297099666666664,
"spacegroup": 115
},
{
"id": "jvasp-44747",
"created_at": "2022-09-04T14:38:09.014954Z",
"updated_at": "2022-09-04T14:38:09.014989Z",
"structure_string": "Li4 Mg1 Co3 O8\n1.0\n-1.621484 2.498140 4.873401\n0.000000 2.978240 -4.873401\n-4.968775 1.507052 -2.425743\nLi Mg Co O\n4 1 3 8\ndirect\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n-0.000000 -0.000001 0.500000 Li\n0.000000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.738532 0.477063 0.784405 O\n0.726815 0.975958 0.774898 O\n0.249144 0.498287 0.774898 O\n0.249144 0.975958 0.774898 O\n0.750856 0.024042 0.225102 O\n0.750856 0.501712 0.225102 O\n0.273185 0.024041 0.225102 O\n0.261468 0.522937 0.215595 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Mg",
"Co",
"O"
],
"chemical_system": "Co-Li-Mg-O",
"density": 4.475219642212464,
"density_atomic": 0.12083222230749485,
"volume": 132.41501061929546,
"volume_molar": 4.983886454289325,
"formula_full": "Li4 Mg1 Co3 O8",
"formula_reduced": "Li4MgCo3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.305951234375,
"spacegroup": 166
},
{
"id": "jvasp-89762",
"created_at": "2022-09-04T14:36:15.044894Z",
"updated_at": "2022-09-04T14:36:15.044928Z",
"structure_string": "Li2 Mg8 H26 Os4\n1.0\n4.719351 0.000000 -0.000000\n-2.359676 4.087066 -0.000000\n0.000000 -0.000000 18.376377\nLi Mg H Os\n2 8 26 4\ndirect\n0.333322 0.666644 0.250000 Li\n0.666678 0.333356 0.750000 Li\n-0.000001 -0.000001 0.350255 Mg\n0.000001 0.000001 0.649745 Mg\n0.000001 0.000001 0.850255 Mg\n-0.000001 -0.000001 0.149745 Mg\n0.333335 0.666670 0.947444 Mg\n0.666665 0.333331 0.052556 Mg\n0.666665 0.333331 0.447444 Mg\n0.333335 0.666670 0.552556 Mg\n0.500006 0.000012 0.161625 H\n-0.000024 0.499986 0.161624 H\n0.500010 0.499986 0.338376 H\n0.500006 0.000012 0.338375 H\n-0.000024 0.499986 0.338376 H\n0.499990 0.500015 0.661624 H\n0.333332 0.666666 0.394997 H\n0.000024 0.500015 0.661624 H\n0.000005 0.000010 0.250000 H\n-0.000005 -0.000010 0.750000 H\n0.500010 0.499986 0.161624 H\n0.666667 0.333335 0.605003 H\n0.499994 -0.000012 0.661625 H\n0.000024 0.500015 0.838376 H\n0.163733 0.836265 0.051208 H\n0.499990 0.500015 0.838376 H\n0.672531 0.836265 0.051208 H\n0.163734 0.327468 0.051208 H\n0.666667 0.333335 0.894997 H\n0.327468 0.163736 0.948792 H\n0.836266 0.672533 0.948793 H\n0.836266 0.163736 0.948792 H\n0.327468 0.163736 0.551208 H\n0.836266 0.672533 0.551208 H\n0.836266 0.163736 0.551208 H\n0.672531 0.836265 0.448792 H\n0.163734 0.327468 0.448793 Os\n0.163733 0.836265 0.448792 Os\n0.499994 -0.000012 0.838375 Os\n0.333332 0.666666 0.105003 Os\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mg",
"H",
"Os"
],
"chemical_system": "H-Li-Mg-Os",
"density": 4.663522170569349,
"density_atomic": 0.11285119682644626,
"volume": 354.44905437304277,
"volume_molar": 5.336355244208393,
"formula_full": "Li2 Mg8 H26 Os4",
"formula_reduced": "LiMg4H13Os2",
"formula_anonymous": "AB2C4D13",
"energy_above_hull": 2.6791873100000005,
"spacegroup": 1
},
{
"id": "jvasp-119538",
"created_at": "2022-09-04T14:38:48.623059Z",
"updated_at": "2022-09-04T14:38:48.623076Z",
"structure_string": "Li2 Mg1 Mn3 O8\n1.0\n5.014795 0.004081 3.052660\n1.717556 4.711488 3.052669\n0.005875 0.004104 5.870840\nLi Mg Mn O\n2 1 3 8\ndirect\n0.116894 0.116895 0.116895 Li\n0.883106 0.883105 0.883105 Li\n0.500001 0.500000 0.499999 Mg\n0.500001 0.499999 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.499999 0.500001 Mn\n0.262609 0.262609 0.262610 O\n0.710338 0.252745 0.252743 O\n0.252745 0.710338 0.252744 O\n0.252745 0.252744 0.710338 O\n0.747257 0.747256 0.289662 O\n0.747255 0.289663 0.747256 O\n0.289663 0.747255 0.747256 O\n0.737391 0.737390 0.737391 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Mn",
"O"
],
"chemical_system": "Li-Mg-Mn-O",
"density": 3.9671952838084197,
"density_atomic": 0.10105070136701708,
"volume": 138.544313009287,
"volume_molar": 5.9595239602816115,
"formula_full": "Li2 Mg1 Mn3 O8",
"formula_reduced": "Li2MgMn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.715241341009852,
"spacegroup": 166
},
{
"id": "jvasp-96563",
"created_at": "2022-09-04T14:35:56.733253Z",
"updated_at": "2022-09-04T14:35:56.733270Z",
"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.211596 -0.000000 0.000000\n0.000000 8.211596 0.000000\n-0.000000 -0.000000 8.211596\nLi Mg Mn O\n8 4 12 32\ndirect\n0.497337 0.997337 0.502664 Li\n0.247337 0.247337 0.247337 Li\n0.252664 0.752664 0.747337 Li\n0.747337 0.252664 0.752664 Li\n0.997337 0.502664 0.497337 Li\n0.752664 0.747337 0.252664 Li\n0.502664 0.497337 0.997337 Li\n0.002663 0.002663 0.002663 Li\n0.625000 0.625000 0.625000 Mg\n0.875000 0.375000 0.125000 Mg\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.120188 0.129812 0.625000 Mn\n0.870189 0.125000 0.379812 Mn\n0.370188 0.375000 0.620189 Mn\n0.129812 0.625000 0.120188 Mn\n0.875000 0.879812 0.629812 Mn\n0.625000 0.120188 0.129812 Mn\n0.379812 0.870189 0.125000 Mn\n0.620189 0.370188 0.375000 Mn\n0.629812 0.875000 0.879812 Mn\n0.375000 0.620189 0.370188 Mn\n0.125000 0.379812 0.870189 Mn\n0.879812 0.629812 0.875000 Mn\n0.616175 0.883826 0.116175 O\n0.357918 0.376065 0.849372 O\n0.876066 0.650629 0.642083 O\n0.623935 0.349372 0.142083 O\n0.633825 0.133825 0.366175 O\n0.849372 0.357918 0.376065 O\n0.373935 0.607918 0.599372 O\n0.116175 0.616175 0.883826 O\n0.107918 0.900629 0.626065 O\n0.349372 0.142083 0.623935 O\n0.133825 0.366175 0.633825 O\n0.642083 0.876066 0.650629 O\n0.650629 0.642083 0.876066 O\n0.883826 0.116175 0.616175 O\n0.142083 0.623935 0.349372 O\n0.626065 0.107918 0.900629 O\n0.857918 0.123935 0.150628 O\n0.900629 0.626065 0.107918 O\n0.376065 0.849372 0.357918 O\n0.383825 0.383825 0.383825 O\n0.599372 0.373935 0.607918 O\n0.400629 0.873935 0.892083 O\n0.873935 0.892083 0.400629 O\n0.150628 0.857918 0.123935 O\n0.366175 0.633825 0.133825 O\n0.099372 0.126065 0.392083 O\n0.866175 0.866175 0.866175 O\n0.392083 0.099372 0.126065 O\n0.607918 0.599372 0.373935 O\n0.126065 0.392083 0.099372 O\n0.892083 0.400629 0.873935 O\n0.123935 0.150628 0.857918 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Mn",
"O"
],
"chemical_system": "Li-Mg-Mn-O",
"density": 3.9705397695116953,
"density_atomic": 0.10113589067630249,
"volume": 553.7104545727955,
"volume_molar": 5.954504103073143,
"formula_full": "Li8 Mg4 Mn12 O32",
"formula_reduced": "Li2MgMn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.714900626724138,
"spacegroup": 212
},
{
"id": "jvasp-111952",
"created_at": "2022-09-04T14:38:41.902847Z",
"updated_at": "2022-09-04T14:38:41.902870Z",
"structure_string": "Li3 Mg1 Ni4 O8\n1.0\n5.032614 -0.017992 2.872763\n1.659577 4.751140 2.872763\n-0.025439 -0.017992 5.794768\nLi Mg Ni O\n3 1 4 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mg\n0.499999 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000001 Ni\n0.750821 0.266893 0.750821 O\n0.249179 0.733108 0.249178 O\n0.733107 0.249179 0.249178 O\n0.258773 0.258774 0.258773 O\n0.741226 0.741227 0.741226 O\n0.266892 0.750822 0.750821 O\n0.249178 0.249179 0.733108 O\n0.750821 0.750822 0.266892 O\n",
"nsites": 16,
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"elements": [
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"Mg",
"Ni",
"O"
],
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"density": 4.864028608177301,
"density_atomic": 0.1148991213433721,
"volume": 139.25258794786208,
"volume_molar": 5.241241786351906,
"formula_full": "Li3 Mg1 Ni4 O8",
"formula_reduced": "Li3Mg(NiO2)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 1.826814790625,
"spacegroup": 166
},
{
"id": "jvasp-22434",
"created_at": "2022-09-04T14:37:46.337495Z",
"updated_at": "2022-09-04T14:37:46.337523Z",
"structure_string": "Li4 Mg4 P4 O16\n1.0\n4.705183 -0.000000 0.000000\n0.000000 5.913614 0.000000\n0.000000 0.000000 10.169455\nLi Mg P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.018774 0.749999 0.277308 Mg\n0.981225 0.250000 0.722691 Mg\n0.481226 0.749999 0.777308 Mg\n0.518774 0.250000 0.222691 Mg\n0.583279 0.749999 0.093844 P\n0.916720 0.749999 0.593844 P\n0.416720 0.250000 0.906156 P\n0.083279 0.250000 0.406156 P\n0.297859 0.250000 0.048322 O\n0.702140 0.749999 0.951677 O\n0.242454 0.749999 0.599818 O\n0.797858 0.749999 0.451678 O\n0.757545 0.250000 0.400182 O\n0.257545 0.749999 0.099818 O\n0.221396 0.042752 0.334542 O\n0.221396 0.457248 0.334542 O\n0.742454 0.250000 0.900182 O\n0.278603 0.042752 0.834542 O\n0.778603 0.957248 0.665457 O\n0.721396 0.542751 0.165458 O\n0.202141 0.250000 0.548322 O\n0.778603 0.542751 0.665457 O\n0.278603 0.457248 0.834542 O\n0.721396 0.957248 0.165458 O\n",
"nsites": 28,
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"elements": [
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"Mg",
"P",
"O"
],
"chemical_system": "Li-Mg-O-P",
"density": 2.962790996938271,
"density_atomic": 0.09895343164066646,
"volume": 282.9613843173981,
"volume_molar": 6.085833164299385,
"formula_full": "Li4 Mg4 P4 O16",
"formula_reduced": "LiMgPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6411597928571426,
"spacegroup": 62
},
{
"id": "jvasp-15910",
"created_at": "2022-09-04T14:37:45.284764Z",
"updated_at": "2022-09-04T14:37:45.284784Z",
"structure_string": "Li1 Mg1 Sb1 Pd1\n1.0\n4.013378 -0.000000 2.317125\n1.337793 3.783849 2.317125\n0.000000 0.000000 4.634250\nLi Mg Sb Pd\n1 1 1 1\ndirect\n0.750000 0.750000 0.749999 Li\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Sb",
"Pd"
],
"chemical_system": "Li-Mg-Pd-Sb",
"density": 6.121238142044441,
"density_atomic": 0.05683772286449555,
"volume": 70.37579618620953,
"volume_molar": 10.595323768260624,
"formula_full": "Li1 Mg1 Sb1 Pd1",
"formula_reduced": "LiMgSbPd",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6360777125,
"spacegroup": 216
},
{
"id": "jvasp-55017",
"created_at": "2022-09-04T14:37:39.330758Z",
"updated_at": "2022-09-04T14:37:39.330779Z",
"structure_string": "Li1 Mg1 Sb1 Pt1\n1.0\n4.003363 0.000000 2.311343\n1.334454 3.774407 2.311343\n0.000000 0.000000 4.622686\nLi Mg Sb Pt\n1 1 1 1\ndirect\n0.749998 0.750001 0.750000 Li\n0.499999 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.249999 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Sb",
"Pt"
],
"chemical_system": "Li-Mg-Pt-Sb",
"density": 8.275086645824256,
"density_atomic": 0.05726534700746521,
"volume": 69.8502708711178,
"volume_molar": 10.51620408274998,
"formula_full": "Li1 Mg1 Sb1 Pt1",
"formula_reduced": "LiMgSbPt",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8659666375000001,
"spacegroup": 216
},
{
"id": "jvasp-21668",
"created_at": "2022-09-04T14:38:33.440593Z",
"updated_at": "2022-09-04T14:38:33.440612Z",
"structure_string": "Li8 Mg4 Si4 O16\n1.0\n0.000000 5.019720 -0.006511\n10.743622 0.000000 0.000000\n0.000000 -4.962428 -6.284907\nLi Mg Si O\n8 4 4 16\ndirect\n0.687650 0.837728 0.997402 Li\n0.312350 0.337728 0.502599 Li\n0.312350 0.162272 0.002599 Li\n0.687650 0.662272 0.497401 Li\n0.535600 0.925488 0.238114 Li\n0.464400 0.425488 0.261886 Li\n0.464400 0.074512 0.761886 Li\n0.535600 0.574512 0.738114 Li\n0.190900 0.834219 0.500675 Mg\n0.809100 0.165780 0.499325 Mg\n0.190900 0.665780 0.000675 Mg\n0.809100 0.334220 -0.000675 Mg\n0.935318 0.913922 0.749783 Si\n0.935318 0.586078 0.249783 Si\n0.064682 0.086078 0.250218 Si\n0.064682 0.413922 0.750218 Si\n0.956696 0.941209 0.249071 O\n0.043304 0.058790 0.750929 O\n0.604324 0.910388 0.748409 O\n0.395676 0.410388 0.751592 O\n0.395676 0.089612 0.251591 O\n0.043304 0.441209 0.250929 O\n0.172854 0.159666 0.466900 O\n0.172854 0.340334 0.966900 O\n0.256149 0.660199 0.462999 O\n0.604324 0.589612 0.248409 O\n0.743851 0.339801 0.537002 O\n0.256149 0.839801 0.962999 O\n0.743851 0.160199 0.037002 O\n0.956696 0.558790 0.749071 O\n0.827146 0.840334 0.533101 O\n0.827146 0.659666 0.033100 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Si",
"O"
],
"chemical_system": "Li-Mg-O-Si",
"density": 2.5502350589423695,
"density_atomic": 0.09431404137308684,
"volume": 339.2920029098808,
"volume_molar": 6.3852006258301,
"formula_full": "Li8 Mg4 Si4 O16",
"formula_reduced": "Li2MgSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.58695520625,
"spacegroup": 14
},
{
"id": "jvasp-15826",
"created_at": "2022-09-04T14:36:32.114423Z",
"updated_at": "2022-09-04T14:36:32.114448Z",
"structure_string": "Li1 Mg1 Sn1 Au1\n1.0\n4.094284 0.000000 2.363837\n1.364761 3.860128 2.363837\n-0.000000 -0.000000 4.727672\nLi Mg Sn Au\n1 1 1 1\ndirect\n0.749999 0.750000 0.750001 Li\n0.499999 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
"Li",
"Mg",
"Sn",
"Au"
],
"chemical_system": "Au-Li-Mg-Sn",
"density": 7.710004703107257,
"density_atomic": 0.05353440536573381,
"volume": 74.71830447490711,
"volume_molar": 11.249103672410714,
"formula_full": "Li1 Mg1 Sn1 Au1",
"formula_reduced": "LiMgSnAu",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.06773708,
"spacegroup": 216
}
]
}