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=nelements&page=339",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=337",
"results": [
{
"id": "jvasp-39162",
"created_at": "2022-09-04T14:37:46.038606Z",
"updated_at": "2022-09-04T14:37:46.038626Z",
"structure_string": "Sc1 Cu3\n1.0\n-1.975477 1.975477 3.672374\n1.975477 -1.975477 3.672374\n1.975477 1.975477 -3.672374\nSc Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.250000 0.500001 Cu\n0.250000 0.750001 0.500001 Cu\n0.499998 0.499998 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc",
"density": 6.824365998078529,
"density_atomic": 0.06977649346454952,
"volume": 57.32589589117473,
"volume_molar": 8.630615356243997,
"formula_full": "Sc1 Cu3",
"formula_reduced": "ScCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.28217165,
"spacegroup": 139
},
{
"id": "jvasp-38925",
"created_at": "2022-09-04T14:37:53.723404Z",
"updated_at": "2022-09-04T14:37:53.723436Z",
"structure_string": "Mg2 Ti6\n1.0\n2.944719 -5.100404 -0.000000\n2.944719 5.100404 0.000000\n0.000000 0.000000 4.730941\nMg Ti\n2 6\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.834968 0.669936 0.750000 Ti\n0.834968 0.165032 0.750000 Ti\n0.330064 0.165032 0.750000 Ti\n0.669936 0.834968 0.250000 Ti\n0.165032 0.834968 0.250000 Ti\n0.165032 0.330064 0.250000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.9239127757887067,
"density_atomic": 0.05629424814819734,
"volume": 142.11043335972107,
"volume_molar": 10.697612914460501,
"formula_full": "Mg2 Ti6",
"formula_reduced": "MgTi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.775921666666666,
"spacegroup": 194
},
{
"id": "jvasp-42048",
"created_at": "2022-09-04T14:37:46.163998Z",
"updated_at": "2022-09-04T14:37:46.164012Z",
"structure_string": "K2 Tl6\n1.0\n3.752414 -6.499371 -0.000000\n3.752414 6.499371 0.000000\n-0.000000 0.000000 5.444838\nK Tl\n2 6\ndirect\n0.666666 0.333333 0.750000 K\n0.333333 0.666666 0.250000 K\n0.846690 0.153309 0.250000 Tl\n0.846690 0.693380 0.250000 Tl\n0.306619 0.153309 0.250000 Tl\n0.153309 0.846690 0.750000 Tl\n0.153309 0.306619 0.750000 Tl\n0.693380 0.846690 0.750000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Tl"
],
"chemical_system": "K-Tl",
"density": 8.156332992770437,
"density_atomic": 0.03012263453382928,
"volume": 265.5810198479016,
"volume_molar": 19.992078558855216,
"formula_full": "K2 Tl6",
"formula_reduced": "KTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-17310",
"created_at": "2022-09-04T14:37:46.216208Z",
"updated_at": "2022-09-04T14:37:46.216224Z",
"structure_string": "Nb4 C3\n1.0\n4.479992 -0.000000 -0.000000\n-0.000000 4.479992 -0.000000\n0.000000 0.000000 4.479992\nNb C\n4 3\ndirect\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.528577868385022,
"density_atomic": 0.0778513816648203,
"volume": 89.91491031126016,
"volume_molar": 7.735432090245488,
"formula_full": "Nb4 C3",
"formula_reduced": "Nb4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 6.473238228571429,
"spacegroup": 221
},
{
"id": "jvasp-37906",
"created_at": "2022-09-04T14:37:53.676124Z",
"updated_at": "2022-09-04T14:37:53.676139Z",
"structure_string": "Be1 Ag3\n1.0\n3.967945 -0.000000 -0.000000\n-0.000000 3.967945 -0.000000\n0.000000 0.000000 3.967945\nBe Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.000000 0.500001 Ag\n0.000000 0.500001 0.500001 Ag\n0.500001 0.500001 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Ag"
],
"chemical_system": "Ag-Be",
"density": 8.840896855458208,
"density_atomic": 0.06402698625905134,
"volume": 62.473657339049424,
"volume_molar": 9.405628957194068,
"formula_full": "Be1 Ag3",
"formula_reduced": "BeAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.31136197,
"spacegroup": 221
},
{
"id": "jvasp-39292",
"created_at": "2022-09-04T14:37:56.257599Z",
"updated_at": "2022-09-04T14:37:56.257614Z",
"structure_string": "Hg6 Au2\n1.0\n2.995358 -5.188114 0.000000\n2.995358 5.188114 -0.000000\n-0.000000 -0.000000 5.924907\nHg Au\n6 2\ndirect\n0.664658 0.832329 0.750000 Hg\n0.167671 0.335342 0.750000 Hg\n0.167672 0.832329 0.750000 Hg\n0.335342 0.167671 0.250000 Hg\n0.832329 0.664658 0.250000 Hg\n0.832329 0.167672 0.250000 Hg\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Au"
],
"chemical_system": "Au-Hg",
"density": 14.40498736518,
"density_atomic": 0.043443039898734895,
"volume": 184.1491759933901,
"volume_molar": 13.862153233377601,
"formula_full": "Hg6 Au2",
"formula_reduced": "Hg3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-37905",
"created_at": "2022-09-04T14:37:53.599750Z",
"updated_at": "2022-09-04T14:37:53.599766Z",
"structure_string": "B2 As2\n1.0\n1.694220 -2.934476 0.000000\n1.694220 2.934476 -0.000000\n0.000000 -0.000000 5.613945\nB As\n2 2\ndirect\n0.333333 0.666667 0.374522 B\n0.666667 0.333333 0.874522 B\n0.333333 0.666667 0.000478 As\n0.666667 0.333333 0.500478 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"As"
],
"chemical_system": "As-B",
"density": 5.100662316463206,
"density_atomic": 0.0716574709027469,
"volume": 55.82111606239601,
"volume_molar": 8.404065457701144,
"formula_full": "B2 As2",
"formula_reduced": "BAs",
"formula_anonymous": "AB",
"energy_above_hull": 2.259777166666667,
"spacegroup": 186
},
{
"id": "jvasp-59641",
"created_at": "2022-09-04T14:37:39.002822Z",
"updated_at": "2022-09-04T14:37:39.002840Z",
"structure_string": "U4 F18\n1.0\n6.919475 -0.000000 -2.446404\n-3.459737 5.992441 -2.446404\n-0.000000 -0.000000 7.339211\nU F\n4 18\ndirect\n0.375757 0.375757 0.375758 U\n-0.000000 0.624242 0.000000 U\n0.000000 0.000000 0.624243 U\n0.624242 0.000000 0.000000 U\n0.772407 0.772408 0.000000 F\n0.227591 0.227592 0.000000 F\n0.237480 0.237480 0.587748 F\n0.649731 0.412252 0.649732 F\n0.412252 0.649732 0.649732 F\n-0.000000 0.350268 0.762520 F\n0.350268 0.000000 0.762520 F\n0.772408 0.000000 0.772409 F\n0.587747 0.237480 0.237480 F\n-0.000000 0.762520 0.350268 F\n0.762519 0.350268 0.000000 F\n0.350267 0.762520 0.000000 F\n0.649731 0.649732 0.412253 F\n-0.000000 0.772408 0.772409 F\n-0.000000 0.227592 0.227592 F\n0.227591 0.000000 0.227592 F\n0.237479 0.587748 0.237480 F\n0.762520 0.000000 0.350268 F\n",
"nsites": 22,
"nelements": 2,
"elements": [
"U",
"F"
],
"chemical_system": "F-U",
"density": 7.061325845077044,
"density_atomic": 0.07229302470077484,
"volume": 304.31704982685835,
"volume_molar": 8.330182316933067,
"formula_full": "U4 F18",
"formula_reduced": "U2F9",
"formula_anonymous": "A2B9",
"energy_above_hull": 0.8282813220454545,
"spacegroup": 217
},
{
"id": "jvasp-40009",
"created_at": "2022-09-04T14:37:53.625023Z",
"updated_at": "2022-09-04T14:37:53.625047Z",
"structure_string": "V3 Os1\n1.0\n0.000000 2.997353 2.997353\n2.997353 0.000000 2.997353\n2.997353 2.997353 -0.000000\nV Os\n3 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 V\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Os"
],
"chemical_system": "Os-V",
"density": 10.577147071937528,
"density_atomic": 0.07427049466302525,
"volume": 53.85718808186901,
"volume_molar": 8.108389189170241,
"formula_full": "V3 Os1",
"formula_reduced": "V3Os",
"formula_anonymous": "AB3",
"energy_above_hull": 4.6607819,
"spacegroup": 225
},
{
"id": "jvasp-37392",
"created_at": "2022-09-04T14:37:55.862533Z",
"updated_at": "2022-09-04T14:37:55.862553Z",
"structure_string": "Sm6 Y2\n1.0\n3.617493 -6.265682 0.000000\n3.617493 6.265682 -0.000000\n0.000000 0.000000 5.760362\nSm Y\n6 2\ndirect\n0.833447 0.666894 0.750000 Sm\n0.833447 0.166552 0.750000 Sm\n0.333105 0.166552 0.750000 Sm\n0.166552 0.333105 0.250000 Sm\n0.166552 0.833447 0.250000 Sm\n0.666894 0.833447 0.250000 Sm\n0.666666 0.333333 0.250000 Y\n0.333333 0.666666 0.750000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Y"
],
"chemical_system": "Sm-Y",
"density": 6.867610426789723,
"density_atomic": 0.030636148476308207,
"volume": 261.1294303586048,
"volume_molar": 19.656977327476692,
"formula_full": "Sm6 Y2",
"formula_reduced": "Sm3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 1.87595551875,
"spacegroup": 194
},
{
"id": "jvasp-19703",
"created_at": "2022-09-04T14:37:55.862099Z",
"updated_at": "2022-09-04T14:37:55.862120Z",
"structure_string": "Ti6 Sb2\n1.0\n5.211058 0.000000 -0.000000\n0.000000 5.211058 -0.000000\n0.000000 0.000000 5.211058\nTi Sb\n6 2\ndirect\n0.500000 0.250000 0.000000 Ti\n0.500000 0.750000 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.750000 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750000 Ti\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Sb"
],
"chemical_system": "Sb-Ti",
"density": 6.227854638643989,
"density_atomic": 0.05653433214329758,
"volume": 141.50693387024364,
"volume_molar": 10.652183428532735,
"formula_full": "Ti6 Sb2",
"formula_reduced": "Ti3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 3.180762775,
"spacegroup": 223
},
{
"id": "jvasp-52777",
"created_at": "2022-09-04T14:37:34.118222Z",
"updated_at": "2022-09-04T14:37:34.118237Z",
"structure_string": "Ti4 H4\n1.0\n4.159603 0.000000 0.000000\n0.000000 4.159603 0.000000\n0.000000 -0.000000 4.616440\nTi H\n4 4\ndirect\n0.749999 0.250000 0.750000 Ti\n0.250000 0.749999 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.749999 0.749999 0.250000 Ti\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.064286972236225,
"density_atomic": 0.10015647382605089,
"volume": 79.87501650561488,
"volume_molar": 6.0127324075517015,
"formula_full": "Ti4 H4",
"formula_reduced": "TiH",
"formula_anonymous": "AB",
"energy_above_hull": 1.944524166666667,
"spacegroup": 131
}
]
}