HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=605",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=603",
"results": [
{
"id": "jvasp-85343",
"created_at": "2022-09-04T14:36:02.082106Z",
"updated_at": "2022-09-04T14:36:02.082131Z",
"structure_string": "Eu2 C1 N2 Cl2\n1.0\n3.440113 0.000000 0.000000\n-1.720057 4.915534 -0.917630\n0.000000 -0.328074 7.411655\nEu C N Cl\n2 1 2 2\ndirect\n0.310077 0.620155 0.738565 Eu\n0.689921 0.379845 0.261436 Eu\n0.000000 0.000000 0.500000 C\n0.117288 0.234576 0.472456 N\n0.882711 0.765424 0.527545 N\n0.614702 0.229405 0.862374 Cl\n0.385296 0.770595 0.137626 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Eu",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Eu-N",
"density": 5.542346556863764,
"density_atomic": 0.05631745838485127,
"volume": 124.29538194292726,
"volume_molar": 10.69320408397529,
"formula_full": "Eu2 C1 N2 Cl2",
"formula_reduced": "Eu2C(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.998107805,
"spacegroup": 12
},
{
"id": "jvasp-37833",
"created_at": "2022-09-04T14:38:00.029390Z",
"updated_at": "2022-09-04T14:38:00.029416Z",
"structure_string": "Er2 Zn2 As2 O2\n1.0\n3.923966 0.000000 -0.000000\n0.000000 3.923966 0.000000\n0.000000 0.000000 8.862985\nEr Zn As O\n2 2 2 2\ndirect\n0.000000 0.500000 0.120601 Er\n0.500000 0.000000 0.879398 Er\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.313061 As\n0.000000 0.500000 0.686939 As\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Er",
"Zn",
"As",
"O"
],
"chemical_system": "As-Er-O-Zn",
"density": 7.874851219332139,
"density_atomic": 0.058621847495760736,
"volume": 136.4678928035921,
"volume_molar": 10.272860746047783,
"formula_full": "Er2 Zn2 As2 O2",
"formula_reduced": "ErZnAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6410814125000001,
"spacegroup": 129
},
{
"id": "jvasp-110260",
"created_at": "2022-09-04T14:38:45.258303Z",
"updated_at": "2022-09-04T14:38:45.258340Z",
"structure_string": "Er2 U1 S3 O2\n1.0\n3.697763 -0.022285 -10.120938\n-0.136718 3.695302 -10.120938\n0.021605 0.022285 10.775267\nEr U S O\n2 1 3 2\ndirect\n0.497850 0.497851 -0.000000 Er\n0.811879 0.811880 -0.000001 Er\n0.189401 0.189402 -0.000000 U\n0.628162 0.628164 -0.000001 S\n0.370409 0.370410 -0.000000 S\n0.005125 0.005125 -0.000000 S\n0.748584 0.248585 0.500000 O\n0.248584 0.748584 0.499999 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Er",
"U",
"S",
"O"
],
"chemical_system": "Er-O-S-U",
"density": 7.815637450617632,
"density_atomic": 0.05373384842791536,
"volume": 148.88194748850162,
"volume_molar": 11.207350554983565,
"formula_full": "Er2 U1 S3 O2",
"formula_reduced": "Er2US3O2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 2.4516703750000004,
"spacegroup": 107
},
{
"id": "jvasp-111523",
"created_at": "2022-09-04T14:38:40.561565Z",
"updated_at": "2022-09-04T14:38:40.561586Z",
"structure_string": "Er1 Ti1 Fe11 C1\n1.0\n4.427075 0.000000 -1.780403\n2.226495 5.986895 -0.857982\n0.020326 0.005277 6.444835\nEr Ti Fe C\n1 1 11 1\ndirect\n0.008189 0.991810 0.008190 Er\n0.631997 0.368004 0.631997 Ti\n0.725205 0.774796 0.225205 Fe\n0.276899 0.223102 0.776898 Fe\n0.497957 0.781516 0.777429 Fe\n0.497957 0.222572 0.218485 Fe\n0.501089 0.997543 0.500101 Fe\n0.001469 0.997543 0.500101 Fe\n0.501089 0.499899 0.002458 Fe\n0.001470 0.499899 0.002458 Fe\n0.354978 0.645022 0.354979 Fe\n0.000140 0.357290 0.357571 Fe\n0.000140 0.642430 0.642710 Fe\n0.501416 0.998584 0.001418 C\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Er",
"Ti",
"Fe",
"C"
],
"chemical_system": "C-Er-Fe-Ti",
"density": 8.169385156944529,
"density_atomic": 0.08185579684802295,
"volume": 171.03248076606,
"volume_molar": 7.357011955037185,
"formula_full": "Er1 Ti1 Fe11 C1",
"formula_reduced": "ErTiFe11C",
"formula_anonymous": "ABCD11",
"energy_above_hull": 4.31663205952381,
"spacegroup": 44
},
{
"id": "jvasp-111072",
"created_at": "2022-09-04T14:38:39.088877Z",
"updated_at": "2022-09-04T14:38:39.088899Z",
"structure_string": "Er4 Th1 C1 N4\n1.0\n3.466578 -0.000804 -12.121957\n-0.068891 3.465893 -12.121957\n0.000788 0.000804 12.607895\nEr Th C N\n4 1 1 4\ndirect\n0.893130 0.893129 0.000001 Er\n0.297975 0.297975 0.000000 Er\n0.702026 0.702026 0.000001 Er\n0.106871 0.106871 0.000000 Er\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 C\n0.395803 0.395803 0.000000 N\n0.798613 0.798613 0.000001 N\n0.201388 0.201388 0.000000 N\n0.604198 0.604197 0.000000 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Th",
"C",
"N"
],
"chemical_system": "C-Er-N-Th",
"density": 10.618727591615277,
"density_atomic": 0.06598566657372437,
"volume": 151.54806368178782,
"volume_molar": 9.126437713971702,
"formula_full": "Er4 Th1 C1 N4",
"formula_reduced": "Er4ThCN4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 4.08729486,
"spacegroup": 139
},
{
"id": "jvasp-110253",
"created_at": "2022-09-04T14:38:16.502983Z",
"updated_at": "2022-09-04T14:38:16.503003Z",
"structure_string": "Er1 Th1 C1 N1\n1.0\n3.641603 0.000000 0.000000\n0.000000 3.641603 0.000000\n-0.000000 0.000000 5.072753\nEr Th C N\n1 1 1 1\ndirect\n0.000000 0.000000 0.500000 Er\n0.500000 0.500000 -0.000000 Th\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Er",
"Th",
"C",
"N"
],
"chemical_system": "C-Er-N-Th",
"density": 10.498574466719228,
"density_atomic": 0.05946084526707505,
"volume": 67.27115939966127,
"volume_molar": 10.127909774828932,
"formula_full": "Er1 Th1 C1 N1",
"formula_reduced": "ErThCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.6878822125,
"spacegroup": 123
},
{
"id": "jvasp-108006",
"created_at": "2022-09-04T14:35:49.645325Z",
"updated_at": "2022-09-04T14:35:49.645355Z",
"structure_string": "Er2 Si2 Ru4 C2\n1.0\n5.893094 -0.009790 0.000000\n-4.685951 3.573585 0.000000\n-0.000000 -0.000000 7.118552\nEr Si Ru C\n2 2 4 2\ndirect\n0.546444 0.453557 0.250000 Er\n0.453556 0.546445 0.750000 Er\n0.268337 0.731664 0.250000 Si\n0.731663 0.268337 0.750000 Si\n0.836596 0.163404 0.055583 Ru\n0.163404 0.836598 0.944417 Ru\n0.163404 0.836598 0.555583 Ru\n0.836596 0.163404 0.444417 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Si",
"Ru",
"C"
],
"chemical_system": "C-Er-Ru-Si",
"density": 9.091506435859522,
"density_atomic": 0.06685100520850124,
"volume": 149.58638196704828,
"volume_molar": 9.008302479846904,
"formula_full": "Er2 Si2 Ru4 C2",
"formula_reduced": "ErSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.0383159200000005,
"spacegroup": 63
},
{
"id": "jvasp-102215",
"created_at": "2022-09-04T14:36:50.141669Z",
"updated_at": "2022-09-04T14:36:50.141701Z",
"structure_string": "Er1 Sc1 B2 O6\n1.0\n4.441184 -0.014204 3.998676\n1.771669 4.072530 3.998676\n-0.021745 -0.014204 5.976040\nEr Sc B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.499999 0.500001 0.500001 Sc\n0.245857 0.245858 0.245858 B\n0.754141 0.754144 0.754144 B\n0.522617 0.955751 0.262732 O\n0.262729 0.522619 0.955751 O\n0.955748 0.262732 0.522619 O\n0.737269 0.477383 0.044251 O\n0.044249 0.737270 0.477383 O\n0.477380 0.044251 0.737270 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Sc",
"B",
"O"
],
"chemical_system": "B-Er-O-Sc",
"density": 5.036557842206031,
"density_atomic": 0.09195814727812662,
"volume": 108.74512260186242,
"volume_molar": 6.548784352718729,
"formula_full": "Er1 Sc1 B2 O6",
"formula_reduced": "ErSc(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.9511381416666667,
"spacegroup": 148
},
{
"id": "jvasp-100842",
"created_at": "2022-09-04T14:36:57.786974Z",
"updated_at": "2022-09-04T14:36:57.787001Z",
"structure_string": "Er3 S3 O1 F1\n1.0\n3.684377 -0.002672 -10.101679\n-0.117510 3.682504 -10.101679\n0.002590 0.002672 10.752606\nEr S O F\n3 3 1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.686329 0.686328 -0.000000 Er\n0.313672 0.313671 -0.000000 Er\n0.500000 0.500000 -0.000000 S\n0.871224 0.871223 -0.000000 S\n0.128776 0.128776 -0.000000 S\n0.250000 0.749999 0.499999 O\n0.750001 0.250000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Er",
"S",
"O",
"F"
],
"chemical_system": "Er-F-O-S",
"density": 7.19497019273326,
"density_atomic": 0.054762957803757215,
"volume": 146.08414740248253,
"volume_molar": 10.996741230779229,
"formula_full": "Er3 S3 O1 F1",
"formula_reduced": "Er3S3OF",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.3853917228125,
"spacegroup": 119
},
{
"id": "jvasp-35517",
"created_at": "2022-09-04T14:37:44.983668Z",
"updated_at": "2022-09-04T14:37:44.983679Z",
"structure_string": "Er2 Re2 Si2 C1\n1.0\n0.000000 -3.975943 -0.000000\n4.348440 -1.987972 -3.304043\n4.333748 -1.987972 3.574231\nEr Re Si C\n2 2 2 1\ndirect\n0.427811 0.846530 0.297848 Er\n0.572188 0.153469 0.702153 Er\n0.792283 0.320932 0.094500 Re\n0.207715 0.679068 0.905500 Re\n0.858898 0.604277 0.677925 Si\n0.141101 0.395723 0.322076 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Er",
"Re",
"Si",
"C"
],
"chemical_system": "C-Er-Re-Si",
"density": 10.840937266560575,
"density_atomic": 0.05895903420167018,
"volume": 118.72650383071752,
"volume_molar": 10.214110257303714,
"formula_full": "Er2 Re2 Si2 C1",
"formula_reduced": "Er2Re2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.624044742857143,
"spacegroup": 12
},
{
"id": "jvasp-110907",
"created_at": "2022-09-04T14:38:38.251027Z",
"updated_at": "2022-09-04T14:38:38.251046Z",
"structure_string": "Er2 Re4 Si2 C2\n1.0\n5.813350 -0.011281 0.000000\n-4.484477 3.699275 0.000000\n-0.000000 -0.000000 7.271735\nEr Re Si C\n2 4 2 2\ndirect\n0.542166 0.457834 0.250000 Er\n0.457834 0.542167 0.750000 Er\n0.827070 0.172931 0.060646 Re\n0.172931 0.827071 0.939355 Re\n0.172931 0.827071 0.560646 Re\n0.827070 0.172931 0.439354 Re\n0.264945 0.735056 0.250000 Si\n0.735055 0.264945 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Re",
"Si",
"C"
],
"chemical_system": "C-Er-Re-Si",
"density": 12.341727434124195,
"density_atomic": 0.06409759250364988,
"volume": 156.01209982154282,
"volume_molar": 9.39526825388502,
"formula_full": "Er2 Re4 Si2 C2",
"formula_reduced": "ErRe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 5.10718492,
"spacegroup": 63
},
{
"id": "jvasp-104636",
"created_at": "2022-09-04T14:36:52.607337Z",
"updated_at": "2022-09-04T14:36:52.607363Z",
"structure_string": "Er2 P2 Ru4 C2\n1.0\n5.857118 -0.008613 0.000000\n-4.654732 3.555190 0.000000\n-0.000000 -0.000000 7.034520\nEr P Ru C\n2 2 4 2\ndirect\n0.542728 0.457273 0.250000 Er\n0.457273 0.542728 0.750000 Er\n0.267732 0.732268 0.250000 P\n0.732269 0.267732 0.750000 P\n0.835398 0.164604 0.052463 Ru\n0.164603 0.835397 0.947537 Ru\n0.164603 0.835397 0.552463 Ru\n0.835398 0.164604 0.447537 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"P",
"Ru",
"C"
],
"chemical_system": "C-Er-P-Ru",
"density": 9.367766048101819,
"density_atomic": 0.06839993715353403,
"volume": 146.1989647381325,
"volume_molar": 8.804307446193105,
"formula_full": "Er2 P2 Ru4 C2",
"formula_reduced": "ErPRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.9897853000000008,
"spacegroup": 63
}
]
}