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"results": [
{
"id": "jvasp-4513",
"created_at": "2022-09-04T14:36:51.171433Z",
"updated_at": "2022-09-04T14:36:51.171451Z",
"structure_string": "Ga2 Ag2 P4 Se12\n1.0\n3.220430 -5.577948 0.000000\n3.220430 5.577948 0.000000\n0.000000 0.000000 13.404891\nGa Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 Ga\n0.000000 0.000000 0.250000 Ga\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n0.333333 0.666667 0.334759 P\n0.333333 0.666667 0.165241 P\n0.666667 0.333333 0.665241 P\n0.666667 0.333333 0.834759 P\n0.680182 0.984493 0.379672 Se\n0.304312 0.319818 0.379672 Se\n0.015507 0.695689 0.379672 Se\n0.680182 0.695688 0.120328 Se\n0.304311 0.984493 0.120328 Se\n0.984493 0.304311 0.620328 Se\n0.319818 0.015507 0.620328 Se\n0.984493 0.680182 0.879672 Se\n0.695688 0.680182 0.620328 Se\n0.695689 0.015507 0.879672 Se\n0.015507 0.319818 0.120328 Se\n0.319818 0.304312 0.879672 Se\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Ag-Ga-P-Se",
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"density_atomic": 0.04152870495430367,
"volume": 481.59459877227346,
"volume_molar": 14.50115231531177,
"formula_full": "Ga2 Ag2 P4 Se12",
"formula_reduced": "GaAg(PSe3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 163
},
{
"id": "jvasp-79763",
"created_at": "2022-09-04T14:37:12.646236Z",
"updated_at": "2022-09-04T14:37:12.646259Z",
"structure_string": "Pm2 Ga1 Ag1\n1.0\n-0.000000 3.687986 3.687986\n3.687986 0.000000 3.687986\n3.687986 3.687986 0.000000\nPm Ga Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500002 0.500002 0.500002 Pm\n0.750000 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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],
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"density": 7.73958438514169,
"density_atomic": 0.03987146602188265,
"volume": 100.32237083544108,
"volume_molar": 15.103885963698623,
"formula_full": "Pm2 Ga1 Ag1",
"formula_reduced": "Pm2GaAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.50316298375,
"spacegroup": 225
},
{
"id": "jvasp-42124",
"created_at": "2022-09-04T14:37:36.435434Z",
"updated_at": "2022-09-04T14:37:36.435453Z",
"structure_string": "Pm1 Ga1 Ag2\n1.0\n-0.000000 3.468669 3.468669\n3.468669 0.000000 3.468669\n3.468669 3.468669 -0.000000\nPm Ga Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Pm",
"density": 8.5637251607458,
"density_atomic": 0.04792271546704475,
"volume": 83.4677242517841,
"volume_molar": 12.566359609027739,
"formula_full": "Pm1 Ga1 Ag2",
"formula_reduced": "PmGaAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.071487005,
"spacegroup": 225
},
{
"id": "jvasp-78874",
"created_at": "2022-09-04T14:37:12.224979Z",
"updated_at": "2022-09-04T14:37:12.225002Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n-2.920973 0.000000 0.766303\n-1.561004 2.585066 -0.000000\n-3.059114 -0.083416 -5.710451\nGa Ag O\n1 1 2\ndirect\n0.499998 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ag\n0.887519 0.887523 0.337435 O\n0.112478 0.112477 0.662565 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"O"
],
"chemical_system": "Ag-Ga-O",
"density": 7.062516625895141,
"density_atomic": 0.08117079871306601,
"volume": 49.27880547461118,
"volume_molar": 7.419097576319179,
"formula_full": "Ga1 Ag1 O2",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6804541462499999,
"spacegroup": 166
},
{
"id": "jvasp-79761",
"created_at": "2022-09-04T14:37:17.805436Z",
"updated_at": "2022-09-04T14:37:17.805456Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n-1.496231 2.591547 0.000000\n-2.992461 -0.000000 -0.000000\n-1.496231 0.863848 6.168123\nGa Ag O\n1 1 2\ndirect\n0.002066 0.002065 0.993804 Ga\n0.839748 0.839746 0.480758 Ag\n0.722608 0.722606 0.832180 O\n0.276582 0.276581 0.170257 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"O"
],
"chemical_system": "Ag-Ga-O",
"density": 7.2757713270573285,
"density_atomic": 0.0836217741003922,
"volume": 47.834431199675294,
"volume_molar": 7.201641946474507,
"formula_full": "Ga1 Ag1 O2",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7023116462499999,
"spacegroup": 160
},
{
"id": "jvasp-115660",
"created_at": "2022-09-04T14:38:42.699812Z",
"updated_at": "2022-09-04T14:38:42.699841Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n1.508550 0.870962 6.245926\n-1.508550 0.870962 6.245926\n-0.000000 -1.741923 6.245926\nGa Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500002 Ga\n0.000000 0.000000 0.000000 Ag\n0.887421 0.887421 0.887426 O\n0.112578 0.112578 0.112579 O\n",
"nsites": 4,
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"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-Ga-O",
"density": 7.068264943973125,
"density_atomic": 0.08123686518686883,
"volume": 49.238729126226325,
"volume_molar": 7.413063941041169,
"formula_full": "Ga1 Ag1 O2",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6765041462499999,
"spacegroup": 166
},
{
"id": "jvasp-3144",
"created_at": "2022-09-04T14:35:54.604809Z",
"updated_at": "2022-09-04T14:35:54.604830Z",
"structure_string": "Ga2 Ag2 O4\n1.0\n1.509936 -2.615286 0.000000\n1.509936 2.615286 0.000000\n0.000000 0.000000 12.480020\nGa Ag O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.333334 0.666669 0.250000 Ag\n0.666669 0.333334 0.750000 Ag\n0.666669 0.333334 0.581280 O\n0.333334 0.666669 0.081280 O\n0.666669 0.333334 0.918720 O\n0.333334 0.666669 0.418720 O\n",
"nsites": 8,
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"elements": [
"Ga",
"Ag",
"O"
],
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"density": 7.061982631446125,
"density_atomic": 0.08116466141693901,
"volume": 98.56506341971144,
"volume_molar": 7.419658574147865,
"formula_full": "Ga2 Ag2 O4",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6804141462499999,
"spacegroup": 194
},
{
"id": "jvasp-111287",
"created_at": "2022-09-04T14:38:49.634923Z",
"updated_at": "2022-09-04T14:38:49.634950Z",
"structure_string": "Nd2 Ga1 Ag1\n1.0\n4.556081 -0.000000 2.630455\n1.518694 4.295515 2.630455\n-0.000000 -0.000000 5.260909\nNd Ga Ag\n2 1 1\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Ga\n0.500000 0.499999 0.500000 Ag\n",
"nsites": 4,
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"elements": [
"Nd",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Nd",
"density": 7.516880150400268,
"density_atomic": 0.0388501343623552,
"volume": 102.95974687479843,
"volume_molar": 15.500952207350156,
"formula_full": "Nd2 Ga1 Ag1",
"formula_reduced": "Nd2GaAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.52729564625,
"spacegroup": 225
},
{
"id": "jvasp-41378",
"created_at": "2022-09-04T14:37:47.498125Z",
"updated_at": "2022-09-04T14:37:47.498136Z",
"structure_string": "Mg1 Ga1 Ag2\n1.0\n0.000000 3.268036 3.268036\n3.268036 0.000000 3.268036\n3.268036 3.268036 -0.000000\nMg Ga Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Mg\n0.249999 0.249999 0.249999 Ga\n0.500002 0.500002 0.500002 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Mg",
"density": 7.368687017280635,
"density_atomic": 0.057301962975453195,
"volume": 69.80563653139606,
"volume_molar": 10.509484225836632,
"formula_full": "Mg1 Ga1 Ag2",
"formula_reduced": "MgGaAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39399",
"created_at": "2022-09-04T14:37:55.134230Z",
"updated_at": "2022-09-04T14:37:55.134251Z",
"structure_string": "Lu2 Ga1 Ag1\n1.0\n0.000000 3.512710 3.512710\n3.512710 0.000000 3.512710\n3.512710 3.512710 0.000000\nLu Ga Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Lu\n0.750000 0.750000 0.750000 Ga\n0.250001 0.250001 0.250001 Ag\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ag"
],
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"density": 10.104979141528489,
"density_atomic": 0.046142710746844486,
"volume": 86.68758153255104,
"volume_molar": 13.051120453324973,
"formula_full": "Lu2 Ga1 Ag1",
"formula_reduced": "Lu2GaAg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-109166",
"created_at": "2022-09-04T14:38:03.861537Z",
"updated_at": "2022-09-04T14:38:03.861568Z",
"structure_string": "Li2 Ga1 Ag1\n1.0\n3.843848 -0.000000 2.219247\n1.281283 3.624015 2.219247\n-0.000000 -0.000000 4.438494\nLi Ga Ag\n2 1 1\ndirect\n0.750000 0.749999 0.750001 Li\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ag"
],
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"density": 5.142392995584293,
"density_atomic": 0.06469461934797899,
"volume": 61.82894404996537,
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"formula_full": "Li2 Ga1 Ag1",
"formula_reduced": "Li2GaAg",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-39880",
"created_at": "2022-09-04T14:37:42.443107Z",
"updated_at": "2022-09-04T14:37:42.443131Z",
"structure_string": "Li1 Ga1 Ag2\n1.0\n-0.000000 3.173576 3.173576\n3.173576 -0.000000 3.173576\n3.173576 3.173576 0.000000\nLi Ga Ag\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Li\n0.250000 0.250000 0.250000 Ga\n0.500002 0.500002 0.500002 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.595394831969489,
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"volume": 63.92587851335771,
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"formula_full": "Li1 Ga1 Ag2",
"formula_reduced": "LiGaAg2",
"formula_anonymous": "ABC2",
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}
]
}