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=density_atomic&page=915",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=913",
"results": [
{
"id": "jvasp-11118",
"created_at": "2022-09-04T14:38:11.102893Z",
"updated_at": "2022-09-04T14:38:11.102921Z",
"structure_string": "Nd2 Lu2 Se6\n1.0\n4.014878 0.000000 -0.000000\n-2.007440 6.525063 -0.000000\n-0.000000 -0.000000 9.922466\nNd Lu Se\n2 2 6\ndirect\n0.747950 0.495899 0.750000 Nd\n0.252050 0.504101 0.250000 Nd\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.914944 0.829888 0.250000 Se\n0.085056 0.170111 0.750000 Se\n0.356778 0.713556 0.562037 Se\n0.643222 0.286443 0.437964 Se\n0.356778 0.713556 0.937964 Se\n0.643222 0.286443 0.062036 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Lu",
"Se"
],
"chemical_system": "Lu-Nd-Se",
"density": 7.104715895408582,
"density_atomic": 0.03847010028677577,
"volume": 259.942134942589,
"volume_molar": 15.654081260791854,
"formula_full": "Nd2 Lu2 Se6",
"formula_reduced": "NdLuSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1297494699999997,
"spacegroup": 63
},
{
"id": "jvasp-28769",
"created_at": "2022-09-04T14:37:05.451067Z",
"updated_at": "2022-09-04T14:37:05.451092Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.254693 0.000019 -0.000129\n-1.627329 2.818652 -0.000022\n-0.001378 -0.001046 34.001510\nMo W Se S\n2 2 4 4\ndirect\n0.332917 0.666638 0.088541 Mo\n0.666581 0.333300 0.284346 Mo\n0.333461 0.666735 0.473604 W\n0.667037 0.333321 0.656425 W\n0.333306 0.666679 0.334313 Se\n0.666195 0.333265 0.038618 Se\n0.666309 0.333334 0.138534 Se\n0.333186 0.666599 0.234362 Se\n0.333750 0.666679 0.702085 S\n0.666742 0.333358 0.427895 S\n0.666846 0.333435 0.519293 S\n0.333658 0.666645 0.610731 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.342992405506864,
"density_atomic": 0.03847070006579052,
"volume": 311.92569876498857,
"volume_molar": 15.653837205200995,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.656400438888889,
"spacegroup": 156
},
{
"id": "jvasp-106666",
"created_at": "2022-09-04T14:36:48.642691Z",
"updated_at": "2022-09-04T14:36:48.642711Z",
"structure_string": "Rb2 Na1 V1 Cl6\n1.0\n6.203744 -0.000000 3.581733\n2.067915 5.848946 3.581733\n-0.000000 -0.000000 7.163466\nRb Na V Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 V\n0.764707 0.235293 0.235293 Cl\n0.235292 0.764708 0.764707 Cl\n0.235292 0.764708 0.235293 Cl\n0.764707 0.235293 0.764707 Cl\n0.235292 0.235293 0.764708 Cl\n0.764706 0.764708 0.235293 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"V",
"Cl"
],
"chemical_system": "Cl-Na-Rb-V",
"density": 2.923250744768558,
"density_atomic": 0.038472048902217,
"volume": 259.92896883180396,
"volume_molar": 15.653288379067762,
"formula_full": "Rb2 Na1 V1 Cl6",
"formula_reduced": "Rb2NaVCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1048717605,
"spacegroup": 225
},
{
"id": "jvasp-67683",
"created_at": "2022-09-04T14:35:50.044986Z",
"updated_at": "2022-09-04T14:35:50.045014Z",
"structure_string": "Na1 Be1 Bi1\n1.0\n-1.901116 1.901116 5.393710\n1.901116 -1.901116 5.393710\n1.901116 1.901116 -5.393710\nNa Be Bi\n1 1 1\ndirect\n0.674206 0.674206 0.000000 Na\n0.937257 0.937257 0.000000 Be\n0.388537 0.388537 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Na",
"density": 5.131797578147424,
"density_atomic": 0.038473034079830964,
"volume": 77.97669385198593,
"volume_molar": 15.652887545869527,
"formula_full": "Na1 Be1 Bi1",
"formula_reduced": "NaBeBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7114297999999999,
"spacegroup": 107
},
{
"id": "jvasp-85565",
"created_at": "2022-09-04T14:35:57.401564Z",
"updated_at": "2022-09-04T14:35:57.401582Z",
"structure_string": "Eu2 In4\n1.0\n5.015009 -0.000000 -0.000000\n-2.507504 4.343124 -0.000000\n-0.000000 0.000000 7.160116\nEu In\n2 4\ndirect\n0.000000 0.000000 0.250000 Eu\n0.000000 0.000000 0.750000 Eu\n0.333333 0.666666 0.482610 In\n0.666667 0.333333 0.982610 In\n0.666667 0.333333 0.517391 In\n0.333333 0.666666 0.017391 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"In"
],
"chemical_system": "Eu-In",
"density": 8.126311299304644,
"density_atomic": 0.03847310575542681,
"volume": 155.95309716200055,
"volume_molar": 15.652858384458732,
"formula_full": "Eu2 In4",
"formula_reduced": "EuIn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0101666466666664,
"spacegroup": 194
},
{
"id": "jvasp-37399",
"created_at": "2022-09-04T14:38:00.805416Z",
"updated_at": "2022-09-04T14:38:00.805437Z",
"structure_string": "Tl3 F1\n1.0\n-2.204266 2.204266 5.348904\n2.204266 -2.204266 5.348904\n2.204266 2.204266 -5.348904\nTl F\n3 1\ndirect\n0.749999 0.249999 0.499999 Tl\n0.249999 0.749999 0.499999 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"F"
],
"chemical_system": "F-Tl",
"density": 10.097532868816666,
"density_atomic": 0.03847753065407882,
"volume": 103.95677508416146,
"volume_molar": 15.65105831281203,
"formula_full": "Tl3 F1",
"formula_reduced": "Tl3F",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-99191",
"created_at": "2022-09-04T14:36:35.661021Z",
"updated_at": "2022-09-04T14:36:35.661048Z",
"structure_string": "K4 P4 Pb4 S16\n1.0\n6.613306 0.000000 0.000000\n0.000000 6.643420 0.000000\n0.000000 0.000000 16.562063\nK P Pb S\n4 4 4 16\ndirect\n0.976434 0.250000 0.788767 K\n0.523567 0.250000 0.288767 K\n0.023567 0.750000 0.211233 K\n0.476434 0.750000 0.711232 K\n0.721967 0.750000 0.402617 P\n0.778034 0.750000 0.902617 P\n0.221967 0.250000 0.097383 P\n0.278033 0.250000 0.597383 P\n0.718410 0.250000 0.023527 Pb\n0.281591 0.750000 0.976473 Pb\n0.781591 0.250000 0.523527 Pb\n0.218410 0.750000 0.476473 Pb\n0.398798 0.002528 0.121800 S\n0.527660 0.250000 0.670697 S\n0.972341 0.250000 0.170697 S\n0.852145 0.750000 0.024336 S\n0.601203 0.502528 0.878200 S\n0.647856 0.750000 0.524336 S\n0.898798 0.502528 0.378200 S\n0.472340 0.750000 0.329303 S\n0.601203 0.997472 0.878200 S\n0.398798 0.497472 0.121800 S\n0.101202 0.497472 0.621800 S\n0.352145 0.250000 0.475664 S\n0.898798 0.997472 0.378200 S\n0.147855 0.250000 0.975664 S\n0.101202 0.002528 0.621800 S\n0.027660 0.750000 0.829302 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"P",
"Pb",
"S"
],
"chemical_system": "K-P-Pb-S",
"density": 3.701770794227264,
"density_atomic": 0.03847984121723573,
"volume": 727.653730220133,
"volume_molar": 15.65011852830252,
"formula_full": "K4 P4 Pb4 S16",
"formula_reduced": "KPPbS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.50277776,
"spacegroup": 62
},
{
"id": "jvasp-87120",
"created_at": "2022-09-04T14:35:57.645443Z",
"updated_at": "2022-09-04T14:35:57.645462Z",
"structure_string": "Ta2 Fe2 Te6\n1.0\n3.603695 0.000000 0.000000\n0.000000 7.143247 -2.546085\n0.000000 -0.112461 10.135439\nTa Fe Te\n2 2 6\ndirect\n0.250000 0.324916 0.295718 Ta\n0.750001 0.675085 0.704282 Ta\n0.750001 0.108852 0.087891 Fe\n0.250000 0.891149 0.912109 Fe\n0.750001 0.286403 0.503818 Te\n0.250000 0.713597 0.496182 Te\n0.750001 0.066687 0.820592 Te\n0.250000 0.933314 0.179408 Te\n0.250000 0.528779 0.844622 Te\n0.750001 0.471221 0.155378 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Te"
],
"chemical_system": "Fe-Ta-Te",
"density": 7.918086717860418,
"density_atomic": 0.038479971543023836,
"volume": 259.87545206001937,
"volume_molar": 15.650065523740684,
"formula_full": "Ta2 Fe2 Te6",
"formula_reduced": "TaFeTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6981196,
"spacegroup": 11
},
{
"id": "jvasp-4062",
"created_at": "2022-09-04T14:36:19.190633Z",
"updated_at": "2022-09-04T14:36:19.190659Z",
"structure_string": "Ca3 P1 Cl3\n1.0\n5.666117 0.000000 0.000000\n0.000000 5.666117 0.000000\n0.000000 0.000000 5.666117\nCa P Cl\n3 1 3\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"P",
"Cl"
],
"chemical_system": "Ca-Cl-P",
"density": 2.351160633711698,
"density_atomic": 0.03848056374344213,
"volume": 181.91001687684323,
"volume_molar": 15.649824675518936,
"formula_full": "Ca3 P1 Cl3",
"formula_reduced": "Ca3PCl3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0116612803571428,
"spacegroup": 221
},
{
"id": "jvasp-19635",
"created_at": "2022-09-04T14:37:55.215212Z",
"updated_at": "2022-09-04T14:37:55.215238Z",
"structure_string": "Nd1 Ag1\n1.0\n3.731816 0.000000 -0.000000\n0.000000 3.731816 -0.000000\n0.000000 0.000000 3.731816\nNd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Ag"
],
"chemical_system": "Ag-Nd",
"density": 8.055246729299073,
"density_atomic": 0.03848303613033712,
"volume": 51.970951388197534,
"volume_molar": 15.648819234542147,
"formula_full": "Nd1 Ag1",
"formula_reduced": "NdAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.30445938,
"spacegroup": 221
},
{
"id": "jvasp-2823",
"created_at": "2022-09-04T14:36:56.777519Z",
"updated_at": "2022-09-04T14:36:56.777551Z",
"structure_string": "K4 Cu2 P2\n1.0\n5.752569 0.000000 0.000000\n0.000000 5.891850 -1.695035\n0.000000 0.008340 6.130821\nK Cu P\n4 2 2\ndirect\n0.750000 0.312717 0.974025 K\n0.750000 0.974025 0.312718 K\n0.250000 0.687283 0.025975 K\n0.250000 0.025975 0.687283 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.750000 0.736708 0.736709 P\n0.250000 0.263292 0.263292 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cu",
"P"
],
"chemical_system": "Cu-K-P",
"density": 2.7593734977128985,
"density_atomic": 0.03848468188180853,
"volume": 207.87491565005115,
"volume_molar": 15.648150031471687,
"formula_full": "K4 Cu2 P2",
"formula_reduced": "K2CuP",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0632004875,
"spacegroup": 63
},
{
"id": "jvasp-91937",
"created_at": "2022-09-04T14:36:15.286037Z",
"updated_at": "2022-09-04T14:36:15.286066Z",
"structure_string": "Pr2 Sb4 Au2\n1.0\n4.478873 0.000000 0.000000\n0.000000 4.478873 0.000000\n0.000000 -0.000000 10.362443\nPr Sb Au\n2 4 2\ndirect\n0.750000 0.750000 0.752218 Pr\n0.250000 0.250000 0.247782 Pr\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.322483 Sb\n0.250000 0.250000 0.677517 Sb\n0.250000 0.750000 0.500000 Au\n0.750000 0.250000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Sb",
"Au"
],
"chemical_system": "Au-Pr-Sb",
"density": 9.288597657115448,
"density_atomic": 0.03848489767902983,
"volume": 207.87375002842083,
"volume_molar": 15.648062287252552,
"formula_full": "Pr2 Sb4 Au2",
"formula_reduced": "PrSb2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1532399050000002,
"spacegroup": 129
}
]
}