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=3511",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3509",
"results": [
{
"id": "jvasp-91493",
"created_at": "2022-09-04T14:36:14.708274Z",
"updated_at": "2022-09-04T14:36:14.708303Z",
"structure_string": "Cu8 Se4 O16\n1.0\n5.978929 0.000000 0.000000\n0.000000 7.083881 -0.273800\n0.000000 -0.010302 8.453628\nCu Se O\n8 4 16\ndirect\n0.698759 0.252615 0.757610 Cu\n0.198759 0.247385 0.742390 Cu\n0.301241 0.747385 0.242390 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.801241 0.752615 0.257610 Cu\n0.576309 0.733467 0.898204 Se\n0.423691 0.266534 0.101797 Se\n0.076309 0.766534 0.601797 Se\n0.923692 0.233466 0.398204 Se\n0.210495 0.418344 0.163270 O\n0.433229 0.316970 0.898196 O\n0.710495 0.081656 0.336730 O\n0.214939 0.552673 0.600879 O\n0.040445 0.752917 0.095167 O\n0.066771 0.816970 0.398196 O\n0.785061 0.447327 0.399121 O\n0.285061 0.052673 0.100879 O\n0.289505 0.918344 0.663270 O\n0.789505 0.581656 0.836730 O\n0.540445 0.747083 0.404833 O\n0.933229 0.183030 0.601804 O\n0.566771 0.683030 0.101804 O\n0.714939 0.947327 0.899121 O\n0.959555 0.247083 0.904833 O\n0.459555 0.252917 0.595167 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se",
"density": 5.009971989347532,
"density_atomic": 0.07820611315015501,
"volume": 358.0282777414121,
"volume_molar": 7.700345302211281,
"formula_full": "Cu8 Se4 O16",
"formula_reduced": "Cu2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.555436895238095,
"spacegroup": 14
},
{
"id": "jvasp-103723",
"created_at": "2022-09-04T14:37:06.085866Z",
"updated_at": "2022-09-04T14:37:06.085893Z",
"structure_string": "Cu2 Se1\n1.0\n3.585128 0.032862 -2.403142\n-0.976430 3.404643 -2.466637\n-0.014269 -0.032862 4.316020\nCu Se\n2 1\ndirect\n0.321914 0.698651 0.623262 Cu\n0.924610 0.301348 0.623263 Cu\n0.949476 0.000000 0.949476 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.537597193982307,
"density_atomic": 0.05732096346739857,
"volume": 52.33687325765655,
"volume_molar": 10.506000589862914,
"formula_full": "Cu2 Se1",
"formula_reduced": "Cu2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1580114222222222,
"spacegroup": 44
},
{
"id": "jvasp-1124",
"created_at": "2022-09-04T14:37:07.666421Z",
"updated_at": "2022-09-04T14:37:07.666442Z",
"structure_string": "Cu2 Se1\n1.0\n3.575561 -0.000000 2.064351\n1.191854 3.371071 2.064351\n-0.000000 -0.000000 4.128702\nCu Se\n2 1\ndirect\n0.749999 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.875436936173662,
"density_atomic": 0.060283106735847594,
"volume": 49.765185678727434,
"volume_molar": 9.989765103494426,
"formula_full": "Cu2 Se1",
"formula_reduced": "Cu2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1687314222222222,
"spacegroup": 225
},
{
"id": "jvasp-18192",
"created_at": "2022-09-04T14:37:29.149619Z",
"updated_at": "2022-09-04T14:37:29.149646Z",
"structure_string": "Cu2 Se1\n1.0\n3.561477 -0.000000 2.056220\n1.187159 3.357792 2.056220\n-0.000000 0.000000 4.112440\nCu Se\n2 1\ndirect\n0.500001 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.957327110937311,
"density_atomic": 0.061001111161125846,
"volume": 49.17943202831047,
"volume_molar": 9.872182072377932,
"formula_full": "Cu2 Se1",
"formula_reduced": "Cu2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1700047555555556,
"spacegroup": 216
},
{
"id": "jvasp-35223",
"created_at": "2022-09-04T14:37:37.027881Z",
"updated_at": "2022-09-04T14:37:37.027895Z",
"structure_string": "Cu8 Se4\n1.0\n4.307579 0.000000 0.000000\n0.000000 4.307579 -0.000000\n-0.000000 -0.000000 10.960803\nCu Se\n8 4\ndirect\n0.108361 0.568066 0.331529 Cu\n0.391639 0.068066 0.418471 Cu\n0.931934 0.608361 0.081529 Cu\n0.891639 0.431934 0.831529 Cu\n0.431934 0.891639 0.168471 Cu\n0.608361 0.931934 0.918470 Cu\n0.068066 0.391639 0.581529 Cu\n0.568066 0.108361 0.668470 Cu\n0.399906 0.600095 0.750000 Se\n0.100094 0.100094 0.000000 Se\n0.899906 0.899906 0.500000 Se\n0.600095 0.399906 0.250000 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.7294109231665376,
"density_atomic": 0.05900276603749806,
"volume": 203.38029563518486,
"volume_molar": 10.206539734379142,
"formula_full": "Cu8 Se4",
"formula_reduced": "Cu2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1429047555555556,
"spacegroup": 96
},
{
"id": "jvasp-52599",
"created_at": "2022-09-04T14:37:10.140248Z",
"updated_at": "2022-09-04T14:37:10.140277Z",
"structure_string": "Cu4 Se2\n1.0\n4.136216 0.000000 0.000000\n0.000000 3.977675 0.000000\n0.000000 0.000000 6.484683\nCu Se\n4 2\ndirect\n0.099996 0.500001 0.550787 Cu\n0.599743 0.000000 0.050745 Cu\n0.099743 0.500001 -0.050745 Cu\n0.599996 0.000000 0.449213 Cu\n0.924262 0.000000 0.750008 Se\n0.424262 0.500001 0.249992 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.414084405438659,
"density_atomic": 0.05623801634939872,
"volume": 106.68939606124906,
"volume_molar": 10.708309344670523,
"formula_full": "Cu4 Se2",
"formula_reduced": "Cu2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1616780888888889,
"spacegroup": 44
},
{
"id": "jvasp-20464",
"created_at": "2022-09-04T14:38:16.511910Z",
"updated_at": "2022-09-04T14:38:16.511943Z",
"structure_string": "Cu4 Sb2\n1.0\n4.051294 0.000000 0.000000\n0.000000 4.051294 0.000000\n0.000000 0.000000 6.162025\nCu Sb\n4 2\ndirect\n0.499999 0.499999 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.499999 0.264159 Cu\n0.499999 0.000000 0.735840 Cu\n0.000000 0.499999 0.699127 Sb\n0.499999 0.000000 0.300872 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb",
"density": 8.17164047753317,
"density_atomic": 0.05932534503981229,
"volume": 101.13721202925151,
"volume_molar": 10.151042115235297,
"formula_full": "Cu4 Sb2",
"formula_reduced": "Cu2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2411956666666668,
"spacegroup": 129
},
{
"id": "jvasp-8275",
"created_at": "2022-09-04T14:36:34.579289Z",
"updated_at": "2022-09-04T14:36:34.579307Z",
"structure_string": "Cu4 S2\n1.0\n5.138215 -1.275429 0.000000\n-2.915224 4.419213 -0.000000\n-1.111495 -1.571892 4.931704\nCu S\n4 2\ndirect\n0.250090 0.749999 0.000090 Cu\n0.249999 0.750089 0.500090 Cu\n0.249909 0.250000 0.499910 Cu\n0.749999 0.749909 -0.000090 Cu\n0.624999 0.374999 0.250000 S\n0.874998 0.124999 0.749999 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 5.644331087321345,
"density_atomic": 0.06407061514537131,
"volume": 93.64667385175653,
"volume_molar": 9.399224194018153,
"formula_full": "Cu4 S2",
"formula_reduced": "Cu2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2745069666666667,
"spacegroup": 141
},
{
"id": "jvasp-42611",
"created_at": "2022-09-04T14:36:05.519038Z",
"updated_at": "2022-09-04T14:36:05.519055Z",
"structure_string": "Cu4 S2\n1.0\n2.143731 -3.713051 0.000000\n2.143731 3.713051 -0.000000\n0.000000 -0.000000 5.379474\nCu S\n4 2\ndirect\n0.000000 0.000000 0.250000 Cu\n0.333333 0.666667 0.749999 Cu\n0.666667 0.333333 0.250000 Cu\n0.000000 0.000000 0.749999 Cu\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.749999 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 6.172112399749066,
"density_atomic": 0.0700616303474089,
"volume": 85.63888636687854,
"volume_molar": 8.595490470516458,
"formula_full": "Cu4 S2",
"formula_reduced": "Cu2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3229169666666667,
"spacegroup": 194
},
{
"id": "jvasp-107349",
"created_at": "2022-09-04T14:36:50.786322Z",
"updated_at": "2022-09-04T14:36:50.786344Z",
"structure_string": "Cu4 S2\n1.0\n3.970731 0.000471 0.080270\n-1.907654 3.482465 0.080270\n-0.037544 -0.063382 7.132278\nCu S\n4 2\ndirect\n0.000001 0.500000 0.500000 Cu\n0.500000 -0.000000 0.000000 Cu\n0.018578 0.981422 0.250000 Cu\n0.981424 0.018577 0.750000 Cu\n0.371385 0.628614 0.250000 S\n0.628616 0.371385 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 5.356896705958581,
"density_atomic": 0.060807855157884234,
"volume": 98.67146250137144,
"volume_molar": 9.903557269638677,
"formula_full": "Cu4 S2",
"formula_reduced": "Cu2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2616336333333334,
"spacegroup": 15
},
{
"id": "jvasp-16727",
"created_at": "2022-09-04T14:38:31.056513Z",
"updated_at": "2022-09-04T14:38:31.056535Z",
"structure_string": "Cu2 S1\n1.0\n3.428196 -0.000000 1.979270\n1.142732 3.232135 1.979270\n0.000000 -0.000000 3.958540\nCu S\n2 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750001 0.750000 Cu\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 6.025383143821623,
"density_atomic": 0.06839605943357446,
"volume": 43.86217604997505,
"volume_molar": 8.804806607095017,
"formula_full": "Cu2 S1",
"formula_reduced": "Cu2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2840103,
"spacegroup": 225
},
{
"id": "jvasp-85478",
"created_at": "2022-09-04T14:35:51.039166Z",
"updated_at": "2022-09-04T14:35:51.039193Z",
"structure_string": "Cu8 S4\n1.0\n4.100102 0.000002 0.000035\n0.000000 4.100201 -0.000003\n-0.000034 0.000003 10.760306\nCu S\n8 4\ndirect\n0.083948 0.578919 0.331090 Cu\n0.416051 0.078920 0.418911 Cu\n0.921113 0.583935 0.081090 Cu\n-0.083943 0.421079 0.831090 Cu\n0.421116 -0.083937 0.168908 Cu\n0.583944 0.921079 0.918909 Cu\n0.078883 0.416064 0.581093 Cu\n0.578886 0.083934 0.668908 Cu\n0.421031 0.578953 0.749999 S\n0.078971 0.078953 0.000001 S\n0.921032 0.921046 0.500000 S\n0.578970 0.421048 0.249999 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 5.8440026348074365,
"density_atomic": 0.06633715101588372,
"volume": 180.89411161366772,
"volume_molar": 9.078081689938815,
"formula_full": "Cu8 S4",
"formula_reduced": "Cu2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2555003,
"spacegroup": 96
}
]
}