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=structure_string&page=1147",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=1145",
"results": [
{
"id": "jvasp-36810",
"created_at": "2022-09-04T14:38:14.475486Z",
"updated_at": "2022-09-04T14:38:14.475516Z",
"structure_string": "Cu2 Cl2 O4\n1.0\n3.545798 -0.026235 0.000076\n0.054768 6.702726 0.188623\n0.030276 3.378241 5.792252\nCu Cl O\n2 2 4\ndirect\n0.020814 0.756630 0.343202 Cu\n0.519990 0.086095 0.672411 Cu\n0.521266 0.632441 0.218222 Cl\n0.019642 0.210951 0.796715 Cl\n0.219103 0.832798 0.702567 O\n0.719419 0.010026 0.312949 O\n0.821724 0.116182 0.419211 O\n0.322009 0.726630 0.596302 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O",
"density": 3.212855363013628,
"density_atomic": 0.05907967078615156,
"volume": 135.41036863521626,
"volume_molar": 10.193253753559517,
"formula_full": "Cu2 Cl2 O4",
"formula_reduced": "CuClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.043657879375,
"spacegroup": 20
},
{
"id": "jvasp-85840",
"created_at": "2022-09-04T14:35:56.420750Z",
"updated_at": "2022-09-04T14:35:56.420776Z",
"structure_string": "Cu2 F4\n1.0\n3.165321 0.000000 -0.184156\n0.000000 4.653705 0.000000\n0.267573 0.000000 4.643474\nCu F\n2 4\ndirect\n0.499999 0.500001 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.500070 0.802336 0.198428 F\n-0.000070 0.302336 0.301571 F\n0.000069 0.697665 0.698428 F\n0.499929 0.197665 0.801570 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"F"
],
"chemical_system": "Cu-F",
"density": 4.913773070044388,
"density_atomic": 0.08742549319790362,
"volume": 68.62986733649761,
"volume_molar": 6.888312024008582,
"formula_full": "Cu2 F4",
"formula_reduced": "CuF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0004299999999999,
"spacegroup": 136
},
{
"id": "jvasp-86339",
"created_at": "2022-09-04T14:35:42.641972Z",
"updated_at": "2022-09-04T14:35:42.642005Z",
"structure_string": "Cu2 F4\n1.0\n3.168685 0.000000 -0.198165\n0.000000 4.648287 0.000000\n0.247362 0.000000 4.644536\nCu F\n2 4\ndirect\n0.500000 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.499079 0.802060 0.198229 F\n0.000921 0.302060 0.301772 F\n0.999079 0.697940 0.698230 F\n0.500922 0.197940 0.801773 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"F"
],
"chemical_system": "Cu-F",
"density": 4.913260690730064,
"density_atomic": 0.08741637698239661,
"volume": 68.6370244011399,
"volume_molar": 6.889030371520319,
"formula_full": "Cu2 F4",
"formula_reduced": "CuF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-75599",
"created_at": "2022-09-04T14:36:05.537088Z",
"updated_at": "2022-09-04T14:36:05.537115Z",
"structure_string": "Cu2 Ge1 As1\n1.0\n0.000000 3.190602 3.190602\n3.190602 -0.000000 3.190602\n3.190602 3.190602 -0.000000\nCu Ge As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Cu\n0.749999 0.749999 0.749999 Ge\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"As"
],
"chemical_system": "As-Cu-Ge",
"density": 7.020798332319072,
"density_atomic": 0.06157608830819602,
"volume": 64.9602810100489,
"volume_molar": 9.779998901291737,
"formula_full": "Cu2 Ge1 As1",
"formula_reduced": "Cu2GeAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6575571499999999,
"spacegroup": 216
},
{
"id": "jvasp-90139",
"created_at": "2022-09-04T14:36:02.593105Z",
"updated_at": "2022-09-04T14:36:02.593127Z",
"structure_string": "Cu2 Ge1 I6\n1.0\n6.620749 0.000000 3.822491\n2.206916 6.242103 3.822491\n0.000000 0.000000 7.644983\nCu Ge I\n2 1 6\ndirect\n0.750001 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Ge\n0.254665 0.745335 0.745335 I\n0.254665 0.745335 0.254664 I\n0.745336 0.254665 0.745335 I\n0.745336 0.254665 0.254664 I\n0.745336 0.745335 0.254664 I\n0.254665 0.254665 0.745335 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"I"
],
"chemical_system": "Cu-Ge-I",
"density": 5.051608377390499,
"density_atomic": 0.02848576788922191,
"volume": 315.94724899114647,
"volume_molar": 21.140875623993914,
"formula_full": "Cu2 Ge1 I6",
"formula_reduced": "Cu2GeI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93663",
"created_at": "2022-09-04T14:35:46.429039Z",
"updated_at": "2022-09-04T14:35:46.429054Z",
"structure_string": "Cu2 Ge1 S3\n1.0\n0.000000 3.814785 -0.000000\n0.000000 -0.000000 5.303018\n5.605638 -1.907393 -2.651509\nCu Ge S\n2 1 3\ndirect\n0.167582 0.429139 0.335164 Cu\n0.832418 0.093975 0.664836 Cu\n0.499999 0.731905 -0.000000 Ge\n0.331662 0.332462 0.663324 S\n0.668337 0.669139 0.336677 S\n0.000000 0.002381 0.000000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-S",
"density": 4.333267232993393,
"density_atomic": 0.052909424087967616,
"volume": 113.40134774524013,
"volume_molar": 11.381981308259078,
"formula_full": "Cu2 Ge1 S3",
"formula_reduced": "Cu2GeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9799278083333336,
"spacegroup": 44
},
{
"id": "jvasp-17257",
"created_at": "2022-09-04T14:36:02.584116Z",
"updated_at": "2022-09-04T14:36:02.584139Z",
"structure_string": "Cu2 Ge1 S4\n1.0\n4.706784 0.000000 -2.132617\n-0.966277 4.606530 -2.132617\n0.021212 0.026122 6.307165\nCu Ge S\n2 1 4\ndirect\n0.749999 0.250000 0.500000 Cu\n0.249999 0.750000 0.500000 Cu\n0.499999 0.500000 -0.000001 Ge\n0.879717 0.879718 0.238690 S\n0.641027 0.120281 0.761309 S\n0.358972 0.358972 0.238691 S\n0.120281 0.641028 0.761309 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-S",
"density": 3.967507111097458,
"density_atomic": 0.050992159590205574,
"volume": 137.27600588511925,
"volume_molar": 11.809934720153949,
"formula_full": "Cu2 Ge1 S4",
"formula_reduced": "Cu2GeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.190055264285714,
"spacegroup": 121
},
{
"id": "jvasp-105093",
"created_at": "2022-09-04T14:36:55.777663Z",
"updated_at": "2022-09-04T14:36:55.777687Z",
"structure_string": "Cu2 Ge1 S4\n1.0\n4.777983 0.144847 -4.108657\n-0.914776 4.691832 -4.108657\n-0.115693 -0.144847 6.300539\nCu Ge S\n2 1 4\ndirect\n0.250000 0.750000 0.499999 Cu\n0.750000 0.250000 0.499999 Cu\n0.499999 0.500000 -0.000001 Ge\n0.880455 0.880456 0.522839 S\n0.119543 0.642384 -0.000001 S\n0.357615 0.357615 0.477159 S\n0.642384 0.119544 -0.000000 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-S",
"density": 3.9892488421564303,
"density_atomic": 0.051271593952610474,
"volume": 136.5278404738107,
"volume_molar": 11.745569614173045,
"formula_full": "Cu2 Ge1 S4",
"formula_reduced": "Cu2GeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.188225264285714,
"spacegroup": 121
},
{
"id": "jvasp-15434",
"created_at": "2022-09-04T14:35:54.125991Z",
"updated_at": "2022-09-04T14:35:54.126012Z",
"structure_string": "Cu2 Ge1 Se3\n1.0\n3.878120 -0.000000 -1.173841\n-0.678272 5.056185 -2.240866\n-0.042589 -0.038907 6.852453\nCu Ge Se\n2 1 3\ndirect\n0.832360 0.569545 0.664718 Cu\n0.167640 0.904827 0.335280 Cu\n0.500000 0.265015 -0.000000 Ge\n0.670720 0.674294 0.341439 Se\n0.329280 0.332854 0.658560 Se\n0.000000 0.991460 -0.000001 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Se",
"density": 5.42087182434044,
"density_atomic": 0.04486168934345959,
"volume": 133.74440614717383,
"volume_molar": 13.423793994681503,
"formula_full": "Cu2 Ge1 Se3",
"formula_reduced": "Cu2GeSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.723407825,
"spacegroup": 44
},
{
"id": "jvasp-17255",
"created_at": "2022-09-04T14:35:59.285414Z",
"updated_at": "2022-09-04T14:35:59.285441Z",
"structure_string": "Cu2 Ge1 Se4\n1.0\n4.959975 -0.000000 -2.246175\n-1.017202 4.854549 -2.246175\n0.003177 0.003912 6.606380\nCu Ge Se\n2 1 4\ndirect\n0.750001 0.250000 0.500001 Cu\n0.250001 0.750000 0.500001 Cu\n0.500001 0.500000 0.000001 Ge\n0.351180 0.351180 0.237773 Se\n0.113409 0.648820 0.762229 Se\n0.648821 0.113408 0.762229 Se\n0.886594 0.886592 0.237774 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Se",
"density": 5.379087193511563,
"density_atomic": 0.04398131429865116,
"volume": 159.15849973166172,
"volume_molar": 13.692498407635558,
"formula_full": "Cu2 Ge1 Se4",
"formula_reduced": "Cu2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8755157595238097,
"spacegroup": 121
},
{
"id": "jvasp-16857",
"created_at": "2022-09-04T14:37:27.783557Z",
"updated_at": "2022-09-04T14:37:27.783584Z",
"structure_string": "Cu2 Ge1 Te3\n1.0\n4.166902 0.000000 -1.256982\n-0.730992 5.399098 -2.423242\n-0.048519 0.010353 7.374302\nCu Ge Te\n2 1 3\ndirect\n0.832252 0.569031 0.664506 Cu\n0.167747 0.904525 0.335495 Cu\n0.500000 0.260190 0.000000 Ge\n0.673447 0.679714 0.346894 Te\n0.326553 0.332820 0.653106 Te\n0.000000 0.980719 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"Te"
],
"chemical_system": "Cu-Ge-Te",
"density": 5.838176811177579,
"density_atomic": 0.03621259180696953,
"volume": 165.68822336669177,
"volume_molar": 16.62996338980898,
"formula_full": "Cu2 Ge1 Te3",
"formula_reduced": "Cu2GeTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.4851183583333334,
"spacegroup": 44
},
{
"id": "jvasp-119236",
"created_at": "2022-09-04T14:38:26.638087Z",
"updated_at": "2022-09-04T14:38:26.638109Z",
"structure_string": "Cu2 Ge4 N6\n1.0\n5.526222 0.000443 0.000000\n-2.766444 4.787329 0.000000\n0.000000 0.000000 5.220579\nCu Ge N\n2 4 6\ndirect\n0.000001 0.661642 0.502850 Cu\n0.000000 0.338358 0.002850 Cu\n0.328601 0.330813 0.492142 Ge\n0.671399 0.002211 0.492142 Ge\n0.671399 0.669186 0.992142 Ge\n0.328601 0.997788 0.992142 Ge\n0.369040 0.334778 0.855493 N\n0.630961 0.965738 0.855493 N\n0.630961 0.665222 0.355493 N\n0.369039 0.034261 0.355493 N\n0.000001 0.694704 0.889881 N\n0.000000 0.305296 0.389881 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"N"
],
"chemical_system": "Cu-Ge-N",
"density": 6.031510033468291,
"density_atomic": 0.08688020845319265,
"volume": 138.12121556390014,
"volume_molar": 6.931545017234245,
"formula_full": "Cu2 Ge4 N6",
"formula_reduced": "CuGe2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.07584035,
"spacegroup": 36
}
]
}