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=-energy_above_hull&page=4638",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4636",
"results": [
{
"id": "jvasp-16404",
"created_at": "2022-09-04T14:38:34.320570Z",
"updated_at": "2022-09-04T14:38:34.320597Z",
"structure_string": "Tm3 Mg3 Ga3\n1.0\n3.582491 -6.205055 -0.000000\n3.582491 6.205055 0.000000\n-0.000000 -0.000000 4.359013\nTm Mg Ga\n3 3 3\ndirect\n0.425909 -0.000000 0.000000 Tm\n0.574091 0.574091 0.000000 Tm\n-0.000000 0.425909 0.000000 Tm\n0.755510 -0.000000 0.500000 Mg\n0.244490 0.244490 0.500000 Mg\n-0.000000 0.755510 0.500000 Mg\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Tm",
"density": 6.759503386277127,
"density_atomic": 0.04644014918408794,
"volume": 193.79782705529556,
"volume_molar": 12.967531038990291,
"formula_full": "Tm3 Mg3 Ga3",
"formula_reduced": "TmMgGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-115140",
"created_at": "2022-09-04T14:38:44.985598Z",
"updated_at": "2022-09-04T14:38:44.985631Z",
"structure_string": "In2 I2\n1.0\n9.557111 -1.155059 -0.963453\n3.203187 -3.578397 0.147243\n2.576026 5.290367 -6.066493\nIn I\n2 2\ndirect\n0.887979 0.009941 0.029810 In\n0.976147 0.627008 0.529370 In\n0.469447 0.387686 0.529687 I\n0.394621 0.249392 0.029528 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 5.283774049985073,
"density_atomic": 0.02632740852270918,
"volume": 151.93291799113945,
"volume_molar": 22.874035455504455,
"formula_full": "In2 I2",
"formula_reduced": "InI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-110753",
"created_at": "2022-09-04T14:38:45.378810Z",
"updated_at": "2022-09-04T14:38:45.378830Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n4.638107 -0.000000 2.677812\n1.546036 4.372849 2.677812\n-0.000000 -0.000000 5.355625\nCa Zn Pb\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Ca\n0.250000 0.250000 0.249999 Ca\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500000 0.499999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Pb"
],
"chemical_system": "Ca-Pb-Zn",
"density": 5.392860452611913,
"density_atomic": 0.036825155280018666,
"volume": 108.6214021253673,
"volume_molar": 16.353334328688128,
"formula_full": "Ca2 Zn1 Pb1",
"formula_reduced": "Ca2ZnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105003",
"created_at": "2022-09-04T14:38:45.385016Z",
"updated_at": "2022-09-04T14:38:45.385041Z",
"structure_string": "K3 Tm1 Cl6\n1.0\n6.698045 -0.000000 3.867118\n2.232682 6.314978 3.867118\n-0.000000 -0.000000 7.734237\nK Tm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tm\n0.764383 0.235618 0.235617 Cl\n0.235617 0.235618 0.764383 Cl\n0.235617 0.764383 0.764383 Cl\n0.235617 0.764383 0.235618 Cl\n0.764383 0.235618 0.764383 Cl\n0.764383 0.764383 0.235618 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Tm",
"Cl"
],
"chemical_system": "Cl-K-Tm",
"density": 2.5325978276821335,
"density_atomic": 0.030567690054448215,
"volume": 327.1428093581052,
"volume_molar": 19.70100046576355,
"formula_full": "K3 Tm1 Cl6",
"formula_reduced": "K3TmCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12495",
"created_at": "2022-09-04T14:38:34.449463Z",
"updated_at": "2022-09-04T14:38:34.449492Z",
"structure_string": "Na3 Hg6 I3 O6\n1.0\n3.370542 -5.837951 -0.000000\n3.370542 5.837951 0.000000\n0.000000 0.000000 10.085276\nNa Hg I O\n3 6 3 6\ndirect\n0.000000 0.000000 0.666667 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.333333 Na\n0.500000 -0.000000 0.167889 Hg\n-0.000000 0.500000 0.834556 Hg\n0.500000 0.500000 0.501223 Hg\n-0.000000 0.500000 0.498778 Hg\n0.500000 -0.000000 0.832112 Hg\n0.500000 0.500000 0.165445 Hg\n0.500000 0.500000 0.833333 I\n0.500000 -0.000000 0.500000 I\n-0.000000 0.500000 0.166667 I\n0.147045 0.852955 0.833333 O\n0.852955 0.147045 0.833333 O\n0.147045 0.294090 0.500000 O\n0.705910 0.852955 0.166667 O\n0.294090 0.147045 0.166667 O\n0.852955 0.705910 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"Hg",
"I",
"O"
],
"chemical_system": "Hg-I-Na-O",
"density": 7.318386477832052,
"density_atomic": 0.045351800428198016,
"volume": 396.89714256213495,
"volume_molar": 13.278724776394244,
"formula_full": "Na3 Hg6 I3 O6",
"formula_reduced": "NaHg2IO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 180
},
{
"id": "jvasp-20992",
"created_at": "2022-09-04T14:38:39.608820Z",
"updated_at": "2022-09-04T14:38:39.608843Z",
"structure_string": "Ba4 Al4 F20\n1.0\n4.883635 0.000000 0.000000\n0.000000 5.671061 0.000000\n0.000000 0.000000 13.819151\nBa Al F\n4 4 20\ndirect\n0.272469 0.841784 0.341641 Ba\n0.772468 0.658216 0.658359 Ba\n0.727530 0.341784 0.158359 Ba\n0.227531 0.158216 0.841641 Ba\n0.675603 0.352506 0.416192 Al\n0.175603 0.147494 0.583808 Al\n0.324396 0.852506 0.083808 Al\n0.824396 0.647494 0.916192 Al\n0.042440 0.899805 0.518332 F\n0.157355 0.054697 0.166883 F\n0.657354 0.445303 0.833117 F\n0.200968 0.598833 0.149785 F\n0.342645 0.945302 0.666883 F\n0.700967 0.901166 0.850215 F\n0.542440 0.600194 0.481668 F\n0.842644 0.554697 0.333117 F\n0.957559 0.399805 0.981668 F\n0.885361 0.149867 0.667746 F\n0.114638 0.649867 0.832254 F\n0.614638 0.850133 0.167746 F\n0.299032 0.401167 0.649785 F\n0.385361 0.350133 0.332254 F\n0.027037 0.847047 -0.001101 F\n0.527036 0.652952 0.001101 F\n0.972962 0.347048 0.501101 F\n0.472963 0.152952 0.498899 F\n0.457559 0.100195 0.018332 F\n0.799031 0.098833 0.350215 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Al",
"F"
],
"chemical_system": "Al-Ba-F",
"density": 4.500115451039682,
"density_atomic": 0.07315923451651578,
"volume": 382.72680386888095,
"volume_molar": 8.231552448297549,
"formula_full": "Ba4 Al4 F20",
"formula_reduced": "BaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 19
},
{
"id": "jvasp-103195",
"created_at": "2022-09-04T14:38:39.613463Z",
"updated_at": "2022-09-04T14:38:39.613496Z",
"structure_string": "Rb2 Pr1 Ag1 Cl6\n1.0\n6.633771 0.000000 3.830010\n2.211257 6.254379 3.830010\n0.000000 -0.000000 7.660019\nRb Pr Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751936 0.248064 0.248064 Cl\n0.248064 0.248064 0.751936 Cl\n0.248065 0.751936 0.751936 Cl\n0.248065 0.751936 0.248064 Cl\n0.751936 0.248064 0.751936 Cl\n0.751936 0.751936 0.248064 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Pr-Rb",
"density": 3.304354744480003,
"density_atomic": 0.03146483674836644,
"volume": 317.81509244662357,
"volume_molar": 19.1392722236598,
"formula_full": "Rb2 Pr1 Ag1 Cl6",
"formula_reduced": "Rb2PrAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110544",
"created_at": "2022-09-04T14:38:40.337709Z",
"updated_at": "2022-09-04T14:38:40.337726Z",
"structure_string": "Sm2 Cd2 In2\n1.0\n4.881353 0.000000 -0.000000\n-2.440677 4.227376 0.000000\n-0.000000 -0.000000 7.604416\nSm Cd In\n2 2 2\ndirect\n0.000000 0.000000 0.262171 Sm\n0.000000 0.000000 0.737830 Sm\n0.333333 0.666668 0.475044 Cd\n0.666666 0.333333 0.524957 Cd\n0.666666 0.333333 0.945062 In\n0.333333 0.666668 0.054939 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Cd",
"In"
],
"chemical_system": "Cd-In-Sm",
"density": 7.991374202589096,
"density_atomic": 0.03823616180327446,
"volume": 156.9195158988519,
"volume_molar": 15.749856878899068,
"formula_full": "Sm2 Cd2 In2",
"formula_reduced": "SmCdIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-20202",
"created_at": "2022-09-04T14:38:31.833296Z",
"updated_at": "2022-09-04T14:38:31.833311Z",
"structure_string": "Si1 F4\n1.0\n4.325051 -0.000000 -1.529136\n-2.162525 3.745604 -1.529136\n-0.000000 -0.000000 4.587409\nSi F\n1 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.654561 F\n0.345439 0.345439 0.345439 F\n0.654560 0.000000 -0.000001 F\n-0.000001 0.654560 -0.000001 F\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Si",
"F"
],
"chemical_system": "F-Si",
"density": 2.325584496890311,
"density_atomic": 0.06728053697622924,
"volume": 74.31569700114821,
"volume_molar": 8.950791760368489,
"formula_full": "Si1 F4",
"formula_reduced": "SiF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 217
},
{
"id": "jvasp-36974",
"created_at": "2022-09-04T14:38:34.224906Z",
"updated_at": "2022-09-04T14:38:34.224931Z",
"structure_string": "K2 Ge2 Cl6\n1.0\n6.360837 -0.147056 3.427449\n1.980182 6.046549 3.427449\n-0.207914 -0.147056 7.222494\nK Ge Cl\n2 2 6\ndirect\n0.264327 0.264326 0.264326 K\n0.764327 0.764325 0.764326 K\n0.999802 0.999800 0.999801 Ge\n0.499802 0.499800 0.499801 Ge\n0.217602 0.862875 0.683896 Cl\n0.862876 0.683896 0.217602 Cl\n0.683897 0.217600 0.862875 Cl\n0.183897 0.362874 0.717601 Cl\n0.717602 0.183895 0.362875 Cl\n0.362875 0.717601 0.183896 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-K",
"density": 2.5280733676238025,
"density_atomic": 0.0349028018152884,
"volume": 286.50994991524493,
"volume_molar": 17.25403247530155,
"formula_full": "K2 Ge2 Cl6",
"formula_reduced": "KGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 161
},
{
"id": "jvasp-55163",
"created_at": "2022-09-04T14:38:32.496649Z",
"updated_at": "2022-09-04T14:38:32.496677Z",
"structure_string": "Ho1 Cu5\n1.0\n4.305502 0.000000 2.485783\n1.435167 4.059266 2.485783\n0.000000 0.000000 4.971566\nHo Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ho\n0.623849 0.623850 0.128452 Cu\n0.128453 0.623850 0.623849 Cu\n0.250000 0.250000 0.250000 Cu\n0.623849 0.128453 0.623849 Cu\n0.623849 0.623850 0.623849 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Cu"
],
"chemical_system": "Cu-Ho",
"density": 9.224146209228278,
"density_atomic": 0.06905366517221431,
"volume": 86.88894333177653,
"volume_molar": 8.720957453860363,
"formula_full": "Ho1 Cu5",
"formula_reduced": "HoCu5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-36969",
"created_at": "2022-09-04T14:38:34.199750Z",
"updated_at": "2022-09-04T14:38:34.199777Z",
"structure_string": "Tl2 Ag2 Br6\n1.0\n6.492793 -0.055255 3.575430\n2.087553 6.148295 3.575430\n-0.077811 -0.055255 7.411748\nTl Ag Br\n2 2 6\ndirect\n0.255485 0.255486 0.255485 Tl\n0.755484 0.755487 0.755485 Tl\n0.005763 0.005763 0.005763 Ag\n0.505762 0.505764 0.505763 Ag\n0.255718 0.812323 0.699211 Br\n0.812321 0.699212 0.255718 Br\n0.699210 0.255720 0.812322 Br\n0.199211 0.312323 0.755718 Br\n0.755718 0.199212 0.312322 Br\n0.312321 0.755719 0.199211 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Tl",
"density": 6.124155568107286,
"density_atomic": 0.03340848342329245,
"volume": 299.3251705950825,
"volume_molar": 18.025783103345997,
"formula_full": "Tl2 Ag2 Br6",
"formula_reduced": "TlAgBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 167
}
]
}