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=density&page=564",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=562",
"results": [
{
"id": "jvasp-67370",
"created_at": "2022-09-04T14:36:00.088587Z",
"updated_at": "2022-09-04T14:36:00.088615Z",
"structure_string": "Na1 Be1 V1\n1.0\n-1.331894 1.331894 6.545146\n1.331894 -1.331894 6.545146\n1.331894 1.331894 -6.545146\nNa Be V\n1 1 1\ndirect\n0.342205 0.342205 0.000000 Na\n0.023477 0.023477 0.000000 Be\n0.634319 0.634319 0.000000 V\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Be",
"V"
],
"chemical_system": "Be-Na-V",
"density": 2.965599808279565,
"density_atomic": 0.06459554990967696,
"volume": 46.44282778294878,
"volume_molar": 9.32284154004521,
"formula_full": "Na1 Be1 V1",
"formula_reduced": "NaBeV",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8017197666666664,
"spacegroup": 107
},
{
"id": "jvasp-38261",
"created_at": "2022-09-04T14:37:56.282802Z",
"updated_at": "2022-09-04T14:37:56.282827Z",
"structure_string": "Rb3 Ac1\n1.0\n-3.112698 3.112698 6.984121\n3.112698 -3.112698 6.984121\n3.112698 3.112698 -6.984121\nRb Ac\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ac"
],
"chemical_system": "Ac-Rb",
"density": 2.965603452547371,
"density_atomic": 0.014777952687758535,
"volume": 270.6734880342011,
"volume_molar": 40.75084612355337,
"formula_full": "Rb3 Ac1",
"formula_reduced": "Rb3Ac",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-103212",
"created_at": "2022-09-04T14:36:35.433127Z",
"updated_at": "2022-09-04T14:36:35.433156Z",
"structure_string": "K2 Cu2 H6\n1.0\n4.902845 0.020169 -2.265038\n-1.997824 4.477387 -2.265038\n-0.013027 -0.020169 5.400751\nK Cu H\n2 2 6\ndirect\n0.750000 0.750001 -0.000000 K\n0.250000 0.250000 -0.000000 K\n0.499999 0.000000 0.499999 Cu\n0.000000 0.500000 0.500000 Cu\n0.807699 0.307700 0.115399 H\n0.749999 0.250000 0.499999 H\n0.692300 0.807700 0.500000 H\n0.250000 0.750000 0.500000 H\n0.307699 0.192300 0.500000 H\n0.192300 0.692300 0.884600 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Cu",
"H"
],
"chemical_system": "Cu-H-K",
"density": 2.9657622695681014,
"density_atomic": 0.08451100414301063,
"volume": 118.32778584760239,
"volume_molar": 7.125865821933974,
"formula_full": "K2 Cu2 H6",
"formula_reduced": "KCuH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3411676899999998,
"spacegroup": 140
},
{
"id": "jvasp-26431",
"created_at": "2022-09-04T14:37:39.611661Z",
"updated_at": "2022-09-04T14:37:39.611680Z",
"structure_string": "K3 Mo1 F6\n1.0\n5.520957 -0.000000 3.187526\n1.840319 5.205208 3.187526\n-0.000000 -0.000000 6.375052\nK Mo F\n3 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Mo\n0.227756 0.772244 0.772244 F\n0.227756 0.772244 0.227756 F\n0.772244 0.227756 0.772244 F\n0.227756 0.227756 0.772244 F\n0.772244 0.227756 0.227756 F\n0.772244 0.772244 0.227757 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mo",
"F"
],
"chemical_system": "F-K-Mo",
"density": 2.9659225957054502,
"density_atomic": 0.05458380605890243,
"volume": 183.20452020529328,
"volume_molar": 11.032834085445403,
"formula_full": "K3 Mo1 F6",
"formula_reduced": "K3MoF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0034911595,
"spacegroup": 225
},
{
"id": "jvasp-86711",
"created_at": "2022-09-04T14:36:18.666781Z",
"updated_at": "2022-09-04T14:36:18.666799Z",
"structure_string": "Na2 Ag2 C4 N4\n1.0\n3.598616 0.000000 0.000000\n-1.799308 3.110108 0.120818\n0.000000 1.314212 18.348586\nNa Ag C N\n2 2 4 4\ndirect\n0.835849 -0.000000 0.250000 Na\n0.164151 -0.000000 0.750000 Na\n-0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.520935 0.425217 0.110818 C\n0.095717 0.574783 0.389183 C\n0.479066 0.574783 0.889183 C\n0.904283 0.425217 0.610818 C\n0.530092 0.382225 0.174481 N\n0.469908 0.617775 0.825520 N\n0.852134 0.382225 0.674481 N\n0.147867 0.617776 0.325520 N\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-N-Na",
"density": 2.9660066054039844,
"density_atomic": 0.058597316939281885,
"volume": 204.78753340249884,
"volume_molar": 10.277161267025415,
"formula_full": "Na2 Ag2 C4 N4",
"formula_reduced": "NaAg(CN)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.949313793333333,
"spacegroup": 15
},
{
"id": "jvasp-63672",
"created_at": "2022-09-04T14:36:00.205730Z",
"updated_at": "2022-09-04T14:36:00.205758Z",
"structure_string": "Li8 Be6 As6 Cl2 O24\n1.0\n8.280110 0.000000 -0.000000\n0.000000 8.280110 0.000000\n0.000000 0.000000 8.280110\nLi Be As Cl O\n8 6 6 2 24\ndirect\n0.169530 0.169530 0.169530 Li\n0.830470 0.830470 0.169530 Li\n0.830470 0.169530 0.830470 Li\n0.169530 0.830470 0.830470 Li\n0.669530 0.669530 0.669530 Li\n0.330470 0.330470 0.669530 Li\n0.669530 0.330470 0.330470 Li\n0.330470 0.669530 0.330470 Li\n0.000000 0.500000 0.750000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.000000 0.250000 As\n0.500000 0.000000 0.750000 As\n0.000000 0.750000 0.500000 As\n0.000000 0.250000 0.500000 As\n0.750000 0.500000 0.000000 As\n0.250000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.641448 0.097586 0.365924 O\n0.641448 0.902414 0.634076 O\n0.634076 0.358552 0.097586 O\n0.365924 0.358552 0.902414 O\n0.365924 0.641448 0.097586 O\n0.634076 0.641448 0.902414 O\n0.097586 0.634076 0.358552 O\n0.902414 0.365924 0.358552 O\n0.097586 0.365924 0.641448 O\n0.902414 0.634076 0.641448 O\n0.597586 0.858552 0.134076 O\n0.134076 0.402414 0.141448 O\n0.597586 0.141448 0.865924 O\n0.402414 0.141448 0.134076 O\n0.858552 0.134076 0.597586 O\n0.858552 0.865924 0.402414 O\n0.141448 0.865924 0.597586 O\n0.141448 0.134076 0.402414 O\n0.134076 0.597586 0.858552 O\n0.865924 0.402414 0.858552 O\n0.865924 0.597586 0.141448 O\n0.358552 0.902414 0.365924 O\n0.402414 0.858552 0.865924 O\n0.358552 0.097586 0.634076 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Be",
"As",
"Cl",
"O"
],
"chemical_system": "As-Be-Cl-Li-O",
"density": 2.966117019856718,
"density_atomic": 0.08103068543561757,
"volume": 567.6861765725654,
"volume_molar": 7.431926223535224,
"formula_full": "Li8 Be6 As6 Cl2 O24",
"formula_reduced": "Li4Be3As3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.359265635543478,
"spacegroup": 218
},
{
"id": "jvasp-116736",
"created_at": "2022-09-04T14:38:44.508870Z",
"updated_at": "2022-09-04T14:38:44.508902Z",
"structure_string": "Ti1 B12\n1.0\n4.503351 -0.000000 2.600010\n1.501117 4.245800 2.600010\n-0.000000 -0.000000 5.200021\nTi B\n1 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.840004 0.500000 0.500000 B\n0.500000 0.500000 0.840004 B\n0.840004 0.159996 0.500000 B\n0.500000 0.840004 0.159995 B\n0.500000 0.159996 0.840004 B\n0.500000 0.840004 0.500000 B\n0.840004 0.500000 0.159996 B\n0.159996 0.840004 0.500000 B\n0.500000 0.159996 0.500000 B\n0.159996 0.500000 0.840004 B\n0.500000 0.500000 0.159996 B\n0.159996 0.500000 0.500000 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 2.9661231965278216,
"density_atomic": 0.13075036925497283,
"volume": 99.4261054410412,
"volume_molar": 4.605830786035016,
"formula_full": "Ti1 B12",
"formula_reduced": "TiB12",
"formula_anonymous": "AB12",
"energy_above_hull": 5.430827641025641,
"spacegroup": 225
},
{
"id": "jvasp-117445",
"created_at": "2022-09-04T14:38:27.510073Z",
"updated_at": "2022-09-04T14:38:27.510091Z",
"structure_string": "Li4 V4 O4 F16\n1.0\n5.071488 0.019780 -0.133363\n-0.204619 6.961758 -2.783560\n-0.166650 -0.080659 9.541291\nLi V O F\n4 4 4 16\ndirect\n0.056761 0.611565 0.373957 Li\n0.292330 0.645725 0.764151 Li\n0.016824 0.101269 0.383104 Li\n0.511428 0.145031 0.890676 Li\n0.560037 0.942276 0.496471 V\n0.534777 0.455176 0.477949 V\n0.956400 0.559177 0.004870 V\n0.012362 0.054225 0.006451 V\n0.811259 0.363600 0.410190 O\n0.151700 0.247347 0.001494 O\n0.835030 0.756239 0.002733 O\n0.670229 0.734786 0.490472 O\n0.688531 0.379460 0.914943 F\n0.136639 0.057630 0.189078 F\n0.362283 0.243622 0.484456 F\n0.113049 0.468662 0.820801 F\n0.701693 0.144018 0.086330 F\n0.629519 0.549363 0.678333 F\n0.363547 0.447357 0.305901 F\n0.226432 0.872084 0.404369 F\n0.279293 0.892191 0.909072 F\n0.862379 0.558454 0.189230 F\n0.822875 0.964384 0.824797 F\n0.277893 0.638867 0.090437 F\n0.834586 0.109386 0.579852 F\n0.666311 0.949180 0.320303 F\n0.216403 0.617893 0.563591 F\n0.400740 0.042695 0.673508 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.9661283354786274,
"density_atomic": 0.08342730186311512,
"volume": 335.62154564151575,
"volume_molar": 7.218429249792758,
"formula_full": "Li4 V4 O4 F16",
"formula_reduced": "LiVOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7089584042857149,
"spacegroup": 1
},
{
"id": "jvasp-91487",
"created_at": "2022-09-04T14:36:05.496143Z",
"updated_at": "2022-09-04T14:36:05.496162Z",
"structure_string": "Li8 Be6 As6 Cl2 O24\n1.0\n8.279692 -0.000000 0.000000\n-0.000000 8.279692 -0.000000\n-0.000000 -0.000000 8.279692\nLi Be As Cl O\n8 6 6 2 24\ndirect\n0.830509 0.830509 0.169491 Li\n0.330509 0.330509 0.669491 Li\n0.169491 0.169491 0.169491 Li\n0.669491 0.669491 0.669491 Li\n0.830509 0.169491 0.830509 Li\n0.330509 0.669491 0.330509 Li\n0.169491 0.830509 0.830509 Li\n0.669491 0.330509 0.330509 Li\n0.750000 0.000000 0.500000 Be\n0.000000 0.500000 0.750000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.000000 0.750000 As\n0.750000 0.500000 0.000000 As\n0.000000 0.750000 0.500000 As\n0.250000 0.500000 0.000000 As\n0.000000 0.250000 0.500000 As\n0.500000 0.000000 0.250000 As\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.097607 0.634068 0.358555 O\n0.597607 0.141445 0.865932 O\n0.634068 0.641445 0.902393 O\n0.641445 0.902393 0.634068 O\n0.858555 0.134068 0.597607 O\n0.634068 0.358555 0.097607 O\n0.641445 0.097607 0.365932 O\n0.402393 0.858555 0.865932 O\n0.902393 0.634068 0.641445 O\n0.402393 0.141445 0.134068 O\n0.365932 0.358555 0.902393 O\n0.097607 0.365932 0.641445 O\n0.902393 0.365932 0.358555 O\n0.858555 0.865932 0.402393 O\n0.358555 0.097607 0.634068 O\n0.865932 0.402393 0.858555 O\n0.865932 0.597607 0.141445 O\n0.358555 0.902393 0.365932 O\n0.141445 0.134068 0.402393 O\n0.134068 0.402393 0.141445 O\n0.597607 0.858555 0.134068 O\n0.365932 0.641445 0.097607 O\n0.134068 0.597607 0.858555 O\n0.141445 0.865932 0.597607 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Be",
"As",
"Cl",
"O"
],
"chemical_system": "As-Be-Cl-Li-O",
"density": 2.966566275520509,
"density_atomic": 0.08104295855030896,
"volume": 567.6002063947927,
"volume_molar": 7.430800735466291,
"formula_full": "Li8 Be6 As6 Cl2 O24",
"formula_reduced": "Li4Be3As3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.359265200760869,
"spacegroup": 218
},
{
"id": "jvasp-31243",
"created_at": "2022-09-04T14:38:32.364092Z",
"updated_at": "2022-09-04T14:38:32.364118Z",
"structure_string": "K2 Na1 Ti1 O1 F5\n1.0\n5.912642 -0.014049 0.019867\n2.944154 5.099424 0.000000\n2.968487 1.685759 4.827652\nK Na Ti O F\n2 1 1 1 5\ndirect\n0.256716 0.243284 0.256716 K\n0.756716 0.743284 0.756716 K\n0.500930 0.499069 0.500931 Na\n0.019223 0.980776 0.019223 Ti\n0.223596 0.776404 0.223596 O\n0.226375 0.238648 0.761352 F\n0.226374 0.773625 0.761352 F\n0.761351 0.238648 0.226375 F\n0.761351 0.773625 0.226375 F\n0.767368 0.232632 0.767368 F\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Na",
"Ti",
"O",
"F"
],
"chemical_system": "F-K-Na-O-Ti",
"density": 2.9666471791631888,
"density_atomic": 0.06870188488923204,
"volume": 145.5564140070245,
"volume_molar": 8.765612136711372,
"formula_full": "K2 Na1 Ti1 O1 F5",
"formula_reduced": "K2NaTiOF5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 0.0286558245833332,
"spacegroup": 107
},
{
"id": "jvasp-67966",
"created_at": "2022-09-04T14:35:47.872111Z",
"updated_at": "2022-09-04T14:35:47.872133Z",
"structure_string": "K1 Ti2 Be1\n1.0\n-2.423420 2.423420 3.426987\n2.423420 -2.423420 3.426987\n2.423420 2.423420 -3.426987\nK Ti Be\n1 2 1\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ti",
"Be"
],
"chemical_system": "Be-K-Ti",
"density": 2.966965390801852,
"density_atomic": 0.049685557544381254,
"volume": 80.5062919224974,
"volume_molar": 12.120505550573258,
"formula_full": "K1 Ti2 Be1",
"formula_reduced": "KTi2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.419767691666667,
"spacegroup": 216
},
{
"id": "jvasp-116672",
"created_at": "2022-09-04T14:38:32.868668Z",
"updated_at": "2022-09-04T14:38:32.868694Z",
"structure_string": "Mo3 Cl18\n1.0\n10.401797 0.000000 0.000000\n-5.200899 9.008220 0.000000\n-0.000000 -0.000000 5.530763\nMo Cl\n3 18\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.503682 Mo\n0.666667 0.333333 0.496318 Mo\n0.562049 0.437952 0.254692 Cl\n0.437952 0.875903 0.745308 Cl\n0.124097 0.562048 0.745308 Cl\n0.437952 0.562048 0.745308 Cl\n0.771247 0.542495 0.737731 Cl\n0.457505 0.228753 0.737731 Cl\n0.771247 0.228753 0.737731 Cl\n0.228753 0.457505 0.262268 Cl\n0.542495 0.771247 0.262268 Cl\n0.228753 0.771247 0.262268 Cl\n0.895399 0.790796 0.241458 Cl\n0.209204 0.104602 0.241458 Cl\n0.895399 0.104602 0.241458 Cl\n0.104602 0.209204 0.758542 Cl\n0.790796 0.895398 0.758542 Cl\n0.104601 0.895398 0.758542 Cl\n0.875903 0.437952 0.254692 Cl\n0.562049 0.124097 0.254692 Cl\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo",
"density": 2.9669859054189742,
"density_atomic": 0.04052162825224242,
"volume": 518.2417613941237,
"volume_molar": 14.861546832503556,
"formula_full": "Mo3 Cl18",
"formula_reduced": "MoCl6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.9572529007142856,
"spacegroup": 164
}
]
}