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=chemical_system&page=4437",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4435",
"results": [
{
"id": "jvasp-23824",
"created_at": "2022-09-04T14:37:34.061334Z",
"updated_at": "2022-09-04T14:37:34.061346Z",
"structure_string": "Sc12 P8\n1.0\n3.780542 -0.000000 0.000000\n-0.000000 6.938226 0.000000\n0.000000 0.000000 14.383788\nSc P\n12 8\ndirect\n0.750000 0.135412 0.932434 Sc\n0.750000 0.993041 0.395307 Sc\n0.250000 0.006960 0.604693 Sc\n0.250000 0.506960 0.895307 Sc\n0.750000 0.840229 0.777641 Sc\n0.250000 0.159771 0.222360 Sc\n0.750000 0.493041 0.104693 Sc\n0.250000 0.659772 0.277641 Sc\n0.250000 0.364589 0.432434 Sc\n0.750000 0.635412 0.567567 Sc\n0.250000 0.864589 0.067566 Sc\n0.750000 0.340229 0.722360 Sc\n0.250000 0.130303 0.794700 P\n0.250000 0.758938 0.457417 P\n0.750000 0.241062 0.542583 P\n0.250000 0.258938 0.042583 P\n0.750000 0.741063 0.957417 P\n0.250000 0.630303 0.705301 P\n0.750000 0.369697 0.294700 P\n0.750000 0.869698 0.205300 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.4649109244638683,
"density_atomic": 0.0530095616447476,
"volume": 377.29042420749164,
"volume_molar": 11.360480209888133,
"formula_full": "Sc12 P8",
"formula_reduced": "Sc3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.66061335,
"spacegroup": 62
},
{
"id": "jvasp-36388",
"created_at": "2022-09-04T14:37:28.435486Z",
"updated_at": "2022-09-04T14:37:28.435504Z",
"structure_string": "Sc1 P1\n1.0\n2.959417 2.959417 0.000000\n2.959417 0.000000 -2.959417\n0.000000 2.959417 -2.959417\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.750001 0.750001 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 2.4322720228828203,
"density_atomic": 0.03858171310855922,
"volume": 51.83802995923234,
"volume_molar": 15.60879565677971,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy_above_hull": 1.3281853750000003,
"spacegroup": 216
},
{
"id": "jvasp-15066",
"created_at": "2022-09-04T14:36:45.179624Z",
"updated_at": "2022-09-04T14:36:45.179651Z",
"structure_string": "Sc1 P1\n1.0\n3.254276 0.000000 1.878857\n1.084758 3.068161 1.878857\n-0.000000 -0.000000 3.757714\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.3605037266175715,
"density_atomic": 0.0533057114750399,
"volume": 37.519431682972446,
"volume_molar": 11.297364941503188,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy_above_hull": 1.0557553750000004,
"spacegroup": 225
},
{
"id": "jvasp-99011",
"created_at": "2022-09-04T14:36:18.181243Z",
"updated_at": "2022-09-04T14:36:18.181271Z",
"structure_string": "Sc12 P8\n1.0\n3.723256 0.000000 0.000000\n0.000000 10.175488 0.000000\n0.000000 0.000000 10.030300\nSc P\n12 8\ndirect\n0.250000 0.224088 0.799042 Sc\n0.750001 0.451966 0.633191 Sc\n0.250000 0.548034 0.366809 Sc\n0.750001 0.626141 0.938078 Sc\n0.250000 0.373859 0.061922 Sc\n0.750001 0.126141 0.561922 Sc\n0.250000 0.873859 0.438078 Sc\n0.250000 0.724088 0.700958 Sc\n0.750001 0.275912 0.299042 Sc\n0.750001 0.951966 0.866809 Sc\n0.750001 0.775913 0.200958 Sc\n0.250000 0.048034 0.133191 Sc\n0.750001 0.685443 0.504028 P\n0.250000 0.314557 0.495972 P\n0.750001 0.185443 0.995972 P\n0.250000 0.814558 0.004028 P\n0.750001 0.510358 0.180320 P\n0.250000 0.489642 0.819680 P\n0.750001 0.010358 0.319680 P\n0.250000 0.989642 0.680321 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.44013740881331,
"density_atomic": 0.052630552419499314,
"volume": 380.0074116757725,
"volume_molar": 11.442290614773848,
"formula_full": "Sc12 P8",
"formula_reduced": "Sc3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.66445735,
"spacegroup": 62
},
{
"id": "jvasp-17438",
"created_at": "2022-09-04T14:37:38.457353Z",
"updated_at": "2022-09-04T14:37:38.457373Z",
"structure_string": "Sc1 P1\n1.0\n3.277960 -0.000000 -0.000000\n-0.000000 3.277960 0.000000\n0.000000 0.000000 3.277960\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.5797251556535725,
"density_atomic": 0.056783093199922266,
"volume": 35.22175153365435,
"volume_molar": 10.605517277470618,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy_above_hull": 1.3517903750000002,
"spacegroup": 221
},
{
"id": "jvasp-37645",
"created_at": "2022-09-04T14:38:04.309362Z",
"updated_at": "2022-09-04T14:38:04.309378Z",
"structure_string": "Sc3 P1\n1.0\n-2.019500 2.019500 4.717859\n2.019500 -2.019500 4.717859\n2.019500 2.019500 -4.717859\nSc P\n3 1\ndirect\n0.750001 0.250000 0.500001 Sc\n0.250000 0.750001 0.500001 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.5780766995958238,
"density_atomic": 0.05197174845222083,
"volume": 76.964891871539,
"volume_molar": 11.587335310714693,
"formula_full": "Sc3 P1",
"formula_reduced": "Sc3P",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5586028125,
"spacegroup": 139
},
{
"id": "jvasp-123616",
"created_at": "2022-09-04T14:38:54.144972Z",
"updated_at": "2022-09-04T14:38:54.144997Z",
"structure_string": "Sc1 P3\n1.0\n3.365482 -0.000000 -1.077670\n-0.042133 3.837018 -0.131579\n-0.142501 -0.204947 5.348888\nSc P\n1 3\ndirect\n0.339401 -0.024704 0.678804 Sc\n0.621458 0.069102 0.242915 P\n0.128541 0.461539 0.257080 P\n0.910600 0.494062 0.821202 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.348056290881171,
"density_atomic": 0.05849398321267779,
"volume": 68.38310165092422,
"volume_molar": 10.29531659368135,
"formula_full": "Sc1 P3",
"formula_reduced": "ScP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6999204375000003,
"spacegroup": 8
},
{
"id": "jvasp-114421",
"created_at": "2022-09-04T14:38:40.819801Z",
"updated_at": "2022-09-04T14:38:40.819825Z",
"structure_string": "Sc1 P1 Se1\n1.0\n2.791988 -0.000000 0.000000\n-0.000000 2.791988 -0.000000\n0.000000 -0.000000 8.848962\nSc P Se\n1 1 1\ndirect\n0.000000 0.000000 0.654641 Sc\n0.000000 0.000000 0.363001 P\n0.000000 0.000000 -0.039870 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"P",
"Se"
],
"chemical_system": "P-Sc-Se",
"density": 3.7286544585690287,
"density_atomic": 0.04349124397278556,
"volume": 68.97940196599656,
"volume_molar": 13.8467889393284,
"formula_full": "Sc1 P1 Se1",
"formula_reduced": "ScPSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.126511372222222,
"spacegroup": 99
},
{
"id": "jvasp-114420",
"created_at": "2022-09-04T14:38:41.329447Z",
"updated_at": "2022-09-04T14:38:41.329463Z",
"structure_string": "Sc2 P2 Se2\n1.0\n-1.759343 2.545384 6.486202\n1.759343 -2.545384 6.486202\n1.759343 2.545384 -6.486202\nSc P Se\n2 2 2\ndirect\n0.369521 0.869520 0.499999 Sc\n0.630480 0.130480 0.500000 Sc\n0.779355 0.500000 0.279354 P\n0.220646 0.499999 0.720645 P\n0.206866 0.206866 -0.000000 Se\n0.793134 0.793134 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"P",
"Se"
],
"chemical_system": "P-Sc-Se",
"density": 4.42738480750264,
"density_atomic": 0.05164127568377541,
"volume": 116.18613058168647,
"volume_molar": 11.661487212044277,
"formula_full": "Sc2 P2 Se2",
"formula_reduced": "ScPSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.705771372222222,
"spacegroup": 71
},
{
"id": "jvasp-114419",
"created_at": "2022-09-04T14:38:40.614198Z",
"updated_at": "2022-09-04T14:38:40.614220Z",
"structure_string": "Sc1 P1 Se1\n1.0\n4.790332 0.000000 -0.000000\n-2.395166 4.148550 0.000000\n0.000000 0.000000 3.392195\nSc P Se\n1 1 1\ndirect\n0.333332 0.666667 0.000000 Sc\n0.000000 0.000000 0.000000 P\n0.666665 0.333333 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"P",
"Se"
],
"chemical_system": "P-Sc-Se",
"density": 3.815301040175319,
"density_atomic": 0.04450189477508416,
"volume": 67.41285995039583,
"volume_molar": 13.53232438851501,
"formula_full": "Sc1 P1 Se1",
"formula_reduced": "ScPSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0078847055555555,
"spacegroup": 187
},
{
"id": "jvasp-58924",
"created_at": "2022-09-04T14:37:03.299280Z",
"updated_at": "2022-09-04T14:37:03.299302Z",
"structure_string": "P8 Se20\n1.0\n0.000000 5.759207 0.007654\n20.371851 0.000000 0.000000\n0.000000 -2.789415 -6.420276\nP Se\n8 20\ndirect\n0.727064 0.666108 0.731745 P\n0.772938 0.166108 0.268257 P\n0.272938 0.333892 0.268256 P\n0.227064 0.833892 0.731745 P\n0.298833 0.545906 0.723934 P\n0.201169 0.045906 0.276067 P\n0.701169 0.454094 0.276067 P\n0.798833 0.954094 0.723935 P\n0.844292 0.895066 0.015024 Se\n0.634245 0.692429 0.012433 Se\n0.865758 0.192429 0.987569 Se\n0.800616 0.053197 0.267733 Se\n0.134244 0.807571 0.012432 Se\n0.699386 0.553197 0.732269 Se\n0.655711 0.395066 0.984978 Se\n0.365757 0.307571 0.987569 Se\n0.155710 0.104934 0.984978 Se\n0.430891 0.106621 0.565369 Se\n0.569111 0.893379 0.434632 Se\n0.930891 0.393379 0.565370 Se\n0.300616 0.446803 0.267732 Se\n0.069111 0.606621 0.434632 Se\n0.867133 0.806784 0.445300 Se\n0.632869 0.306784 0.554702 Se\n0.132869 0.193216 0.554702 Se\n0.367133 0.693216 0.445299 Se\n0.344291 0.604934 0.015023 Se\n0.199386 0.946803 0.732269 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
"P",
"Se"
],
"chemical_system": "P-Se",
"density": 4.029853439396862,
"density_atomic": 0.037193067003518696,
"volume": 752.828477343668,
"volume_molar": 16.19156806678586,
"formula_full": "P8 Se20",
"formula_reduced": "P2Se5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.1052196904761904,
"spacegroup": 14
},
{
"id": "jvasp-5590",
"created_at": "2022-09-04T14:38:16.898207Z",
"updated_at": "2022-09-04T14:38:16.898221Z",
"structure_string": "P8 Se20\n1.0\n0.000000 5.759144 0.008214\n20.376477 0.000000 0.000000\n0.000000 -2.790013 -6.420013\nP Se\n8 20\ndirect\n0.727105 0.666114 0.731653 P\n0.772894 0.166114 0.268347 P\n0.272894 0.333886 0.268347 P\n0.227106 0.833886 0.731653 P\n0.298962 0.545910 0.723889 P\n0.201038 0.045909 0.276111 P\n0.701037 0.454091 0.276111 P\n0.798962 0.954091 0.723889 P\n0.844424 0.895053 0.014948 Se\n0.634378 0.692426 0.012390 Se\n0.865621 0.192426 -0.012390 Se\n0.800487 0.053225 0.267791 Se\n0.134378 0.807574 0.012390 Se\n0.699513 0.553225 0.732210 Se\n0.655576 0.395053 -0.014947 Se\n0.365621 0.307574 -0.012390 Se\n0.155576 0.104947 -0.014947 Se\n0.430900 0.106584 0.565492 Se\n0.569100 0.893416 0.434508 Se\n0.930900 0.393416 0.565492 Se\n0.300487 0.446775 0.267791 Se\n0.069100 0.606584 0.434508 Se\n0.867014 0.806804 0.445220 Se\n0.632985 0.306804 0.554781 Se\n0.132986 0.193196 0.554780 Se\n0.367015 0.693197 0.445220 Se\n0.344424 0.604947 0.014948 Se\n0.199513 0.946776 0.732209 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
"P",
"Se"
],
"chemical_system": "P-Se",
"density": 4.029318664774981,
"density_atomic": 0.0371881313628949,
"volume": 752.9283933835268,
"volume_molar": 16.19371702555804,
"formula_full": "P8 Se20",
"formula_reduced": "P2Se5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.105202547619048,
"spacegroup": 14
}
]
}