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=formula_reduced&page=842",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=840",
"results": [
{
"id": "jvasp-45729",
"created_at": "2022-09-04T14:37:02.772553Z",
"updated_at": "2022-09-04T14:37:02.772579Z",
"structure_string": "Ca2 Ho2 Ti4 O12\n1.0\n5.341652 0.000000 0.000000\n0.000000 5.565689 0.000000\n0.000000 0.000000 7.667888\nCa Ho Ti O\n2 2 4 12\ndirect\n0.488447 0.196139 0.000000 Ca\n0.988447 0.803861 0.500000 Ca\n0.016712 0.684027 0.000000 Ho\n0.516712 0.315973 0.500000 Ho\n0.000676 0.246257 0.750223 Ti\n0.000676 0.246257 0.249778 Ti\n0.500675 0.753743 0.250223 Ti\n0.500675 0.753743 0.749778 Ti\n0.795333 0.541480 0.701801 O\n0.691191 0.054954 0.696610 O\n0.691191 0.054954 0.303390 O\n0.607237 0.778851 0.000000 O\n0.413282 0.718599 0.500000 O\n0.191191 0.945046 0.803390 O\n0.295333 0.458521 0.798200 O\n0.191191 0.945046 0.196610 O\n0.795333 0.541480 0.298199 O\n0.107237 0.221150 0.500000 O\n0.295333 0.458521 0.201801 O\n0.913282 0.281402 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ho",
"Ti",
"O"
],
"chemical_system": "Ca-Ho-O-Ti",
"density": 5.779807763345303,
"density_atomic": 0.08773233912897305,
"volume": 227.96610917438912,
"volume_molar": 6.864219989788494,
"formula_full": "Ca2 Ho2 Ti4 O12",
"formula_reduced": "CaHoTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.417019365333333,
"spacegroup": 31
},
{
"id": "jvasp-109931",
"created_at": "2022-09-04T14:38:18.180307Z",
"updated_at": "2022-09-04T14:38:18.180328Z",
"structure_string": "Ca1 Ho1 Zn2\n1.0\n4.372247 -0.000000 2.524318\n1.457416 4.122194 2.524318\n-0.000000 -0.000000 5.048636\nCa Ho Zn\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Ho\n0.250001 0.250000 0.250000 Zn\n0.750002 0.749999 0.750001 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ho",
"Zn"
],
"chemical_system": "Ca-Ho-Zn",
"density": 6.128534748943441,
"density_atomic": 0.043959507311330324,
"volume": 90.99283055360863,
"volume_molar": 13.699290843616497,
"formula_full": "Ca1 Ho1 Zn2",
"formula_reduced": "CaHoZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2065",
"created_at": "2022-09-04T14:36:47.320370Z",
"updated_at": "2022-09-04T14:36:47.320383Z",
"structure_string": "Ca1 I2\n1.0\n2.237539 -3.875531 0.000000\n2.237539 3.875531 0.000000\n-0.000000 0.000000 6.946718\nCa I\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.254921 I\n0.666667 0.333333 0.745079 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"I"
],
"chemical_system": "Ca-I",
"density": 4.050586311366502,
"density_atomic": 0.024900597082682243,
"volume": 120.47903871696421,
"volume_molar": 24.18472432610161,
"formula_full": "Ca1 I2",
"formula_reduced": "CaI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-17994",
"created_at": "2022-09-04T14:37:27.275469Z",
"updated_at": "2022-09-04T14:37:27.275495Z",
"structure_string": "Ca4 In4\n1.0\n6.173487 0.349894 -2.406114\n-3.393111 5.406908 -1.809941\n0.219576 -0.349894 6.622168\nCa In\n4 4\ndirect\n0.500001 0.750000 0.250001 Ca\n0.500001 0.250000 0.750001 Ca\n0.000001 0.749998 0.749999 Ca\n0.000000 0.250003 0.250003 Ca\n0.500038 0.750019 0.750020 In\n0.000001 0.750019 0.249982 In\n0.000001 0.249982 0.750019 In\n0.499963 0.249981 0.249982 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"In"
],
"chemical_system": "Ca-In",
"density": 4.575527624839189,
"density_atomic": 0.035578028377198,
"volume": 224.85787900285138,
"volume_molar": 16.926572479377743,
"formula_full": "Ca4 In4",
"formula_reduced": "CaIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0012488461538461,
"spacegroup": 221
},
{
"id": "jvasp-17651",
"created_at": "2022-09-04T14:37:32.387842Z",
"updated_at": "2022-09-04T14:37:32.387880Z",
"structure_string": "Ca1 In1\n1.0\n3.829344 0.000000 0.000000\n0.000000 3.829344 -0.000000\n-0.000000 0.000000 3.829344\nCa In\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"In"
],
"chemical_system": "Ca-In",
"density": 4.580534457512669,
"density_atomic": 0.035616960113500906,
"volume": 56.153023549078334,
"volume_molar": 16.908070595607224,
"formula_full": "Ca1 In1",
"formula_reduced": "CaIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0010988461538461,
"spacegroup": 221
},
{
"id": "jvasp-17954",
"created_at": "2022-09-04T14:37:31.497544Z",
"updated_at": "2022-09-04T14:37:31.497564Z",
"structure_string": "Ca2 In4\n1.0\n2.461771 -4.263913 0.000000\n2.461771 4.263913 -0.000000\n-0.000000 -0.000000 7.781187\nCa In\n2 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.666667 0.333333 0.950822 In\n0.333333 0.666667 0.450822 In\n0.666667 0.333333 0.549178 In\n0.333333 0.666667 0.049178 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"In"
],
"chemical_system": "Ca-In",
"density": 5.483410364842508,
"density_atomic": 0.036729872094147346,
"volume": 163.35477522547808,
"volume_molar": 16.395757503766497,
"formula_full": "Ca2 In4",
"formula_reduced": "CaIn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-55193",
"created_at": "2022-09-04T14:38:30.170119Z",
"updated_at": "2022-09-04T14:38:30.170150Z",
"structure_string": "Ca2 In4\n1.0\n2.696336 -4.670190 0.000000\n2.696336 4.670190 0.000000\n0.000000 -0.000000 7.963121\nCa In\n2 4\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.439043 In\n0.333334 0.666668 0.560957 In\n0.333334 0.666668 0.939043 In\n0.666668 0.333334 0.060957 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"In"
],
"chemical_system": "Ca-In",
"density": 4.466431858947961,
"density_atomic": 0.029917781085329217,
"volume": 200.54963243722042,
"volume_molar": 20.12896859838672,
"formula_full": "Ca2 In4",
"formula_reduced": "CaIn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1403166666666666,
"spacegroup": 194
},
{
"id": "jvasp-18252",
"created_at": "2022-09-04T14:38:13.802941Z",
"updated_at": "2022-09-04T14:38:13.802974Z",
"structure_string": "Ca2 In4 Au2\n1.0\n4.601567 0.000000 0.000000\n-2.300784 5.454341 0.000000\n0.000000 0.000000 7.683159\nCa In Au\n2 4 2\ndirect\n0.076657 0.153313 0.750000 Ca\n0.923345 0.846687 0.250000 Ca\n0.365965 0.731928 0.950806 In\n0.365965 0.731928 0.549194 In\n0.634037 0.268072 0.049194 In\n0.634037 0.268072 0.450806 In\n0.790388 0.580775 0.750000 Au\n0.209613 0.419224 0.250000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"In",
"Au"
],
"chemical_system": "Au-Ca-In",
"density": 8.037314360082105,
"density_atomic": 0.041486054179822006,
"volume": 192.83588565265484,
"volume_molar": 14.5160605872444,
"formula_full": "Ca2 In4 Au2",
"formula_reduced": "CaIn2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-17568",
"created_at": "2022-09-04T14:38:13.740125Z",
"updated_at": "2022-09-04T14:38:13.740155Z",
"structure_string": "Ca2 In4 Cu2\n1.0\n4.448156 0.000000 0.000000\n-2.224078 5.409727 -0.000000\n0.000000 -0.000000 7.497745\nCa In Cu\n2 4 2\ndirect\n0.068374 0.136748 0.750000 Ca\n0.931627 0.863252 0.250000 Ca\n0.358260 0.716519 0.949865 In\n0.641741 0.283481 0.050135 In\n0.641741 0.283481 0.449865 In\n0.358260 0.716519 0.550134 In\n0.785525 0.571049 0.750000 Cu\n0.214476 0.428951 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"In",
"Cu"
],
"chemical_system": "Ca-Cu-In",
"density": 6.134458859538248,
"density_atomic": 0.04434084468743319,
"volume": 180.4205593374118,
"volume_molar": 13.581475054097826,
"formula_full": "Ca2 In4 Cu2",
"formula_reduced": "CaIn2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-90887",
"created_at": "2022-09-04T14:35:57.336055Z",
"updated_at": "2022-09-04T14:35:57.336088Z",
"structure_string": "Ca2 In4 Ni2\n1.0\n4.320802 0.000000 0.000000\n-2.160401 5.239800 -0.000000\n0.000000 0.000000 7.626813\nCa In Ni\n2 4 2\ndirect\n0.438160 0.876318 0.250000 Ca\n0.561840 0.123682 0.750000 Ca\n0.148313 0.296626 0.448407 In\n0.851687 0.703374 0.551593 In\n0.148313 0.296626 0.051593 In\n0.851687 0.703374 0.948406 In\n0.718332 0.436663 0.250000 Ni\n0.281668 0.563337 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"In",
"Ni"
],
"chemical_system": "Ca-In-Ni",
"density": 6.316403327328371,
"density_atomic": 0.04633058810154584,
"volume": 172.67210125772343,
"volume_molar": 12.998196238737295,
"formula_full": "Ca2 In4 Ni2",
"formula_reduced": "CaIn2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-12454",
"created_at": "2022-09-04T14:37:27.985664Z",
"updated_at": "2022-09-04T14:37:27.985685Z",
"structure_string": "Ca2 In4 O8\n1.0\n5.837115 -0.000000 -3.116261\n-1.663679 5.595005 -3.116261\n-0.223511 -0.299643 6.606262\nCa In O\n2 4 8\ndirect\n0.375001 0.625001 0.750001 Ca\n0.625001 0.375000 0.250001 Ca\n0.500001 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.763520 0.790567 0.527038 O\n0.763530 0.236482 0.972964 O\n0.209435 0.236482 0.972964 O\n0.236482 0.209435 0.472964 O\n0.236482 0.763530 0.472964 O\n0.236471 0.763519 0.027037 O\n0.763520 0.236471 0.527037 O\n0.790566 0.763519 0.027038 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"In",
"O"
],
"chemical_system": "Ca-In-O",
"density": 5.410191699002891,
"density_atomic": 0.0683424105511069,
"volume": 204.85083694159,
"volume_molar": 8.811718391900449,
"formula_full": "Ca2 In4 O8",
"formula_reduced": "CaIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.030369194285714,
"spacegroup": 227
},
{
"id": "jvasp-23490",
"created_at": "2022-09-04T14:37:33.932252Z",
"updated_at": "2022-09-04T14:37:33.932266Z",
"structure_string": "Ca2 In8 Ir2\n1.0\n4.279077 0.000000 0.000000\n0.000000 7.558650 -0.000000\n0.000000 0.000000 8.766271\nCa In Ir\n2 8 2\ndirect\n0.000000 0.402818 0.250000 Ca\n0.000000 0.597182 0.750000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.316200 0.564105 In\n0.500000 0.072545 0.250000 In\n0.000000 0.000000 0.500000 In\n0.500000 0.927455 0.750000 In\n0.500000 0.316200 0.935895 In\n0.500000 0.683800 0.064105 In\n0.500000 0.683800 0.435895 In\n0.000000 0.803682 0.250000 Ir\n0.000000 0.196318 0.750000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"In",
"Ir"
],
"chemical_system": "Ca-In-Ir",
"density": 8.100356353665317,
"density_atomic": 0.04232256847257668,
"volume": 283.5366669150885,
"volume_molar": 14.229147656532486,
"formula_full": "Ca2 In8 Ir2",
"formula_reduced": "CaIn4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3517135666666664,
"spacegroup": 51
}
]
}