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=volume_molar&page=1538",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1536",
"results": [
{
"id": "jvasp-86206",
"created_at": "2022-09-04T14:35:54.987785Z",
"updated_at": "2022-09-04T14:35:54.987810Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n4.030959 0.000000 -0.233969\n0.000000 6.188351 0.000000\n0.009198 0.000000 9.061895\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718098 0.560570 0.126506 H\n0.363801 0.707011 0.049794 H\n0.280992 0.352451 0.873413 H\n0.281903 0.060570 0.873493 H\n0.636200 0.207011 0.950205 H\n0.719008 0.852451 0.126586 H\n0.139026 0.706879 0.584781 Au\n0.860975 0.206879 0.415219 Au\n0.677050 0.206871 0.606073 C\n0.322951 0.706870 0.393927 C\n0.434568 0.206707 0.863198 C\n0.565433 0.706707 0.136801 C\n0.430085 0.706815 0.277345 N\n0.569916 0.206815 0.722654 N\n0.079070 0.206788 0.187080 Cl\n0.920930 0.706788 0.812919 Cl\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"Au",
"C",
"N",
"Cl"
],
"chemical_system": "Au-C-Cl-H-N",
"density": 4.017567827497582,
"density_atomic": 0.07077698393165625,
"volume": 226.0621901528036,
"volume_molar": 8.508614560087931,
"formula_full": "H6 Au2 C4 N2 Cl2",
"formula_reduced": "H3AuC2NCl",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 3.7018793609375,
"spacegroup": 11
},
{
"id": "jvasp-18254",
"created_at": "2022-09-04T14:38:14.529736Z",
"updated_at": "2022-09-04T14:38:14.529757Z",
"structure_string": "Mn2 Sn1 W1\n1.0\n3.730452 0.000000 2.153778\n1.243484 3.517104 2.153778\n-0.000000 -0.000000 4.307555\nMn Sn W\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Mn\n0.749999 0.749999 0.750002 Mn\n0.499999 0.499999 0.500002 Sn\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"W"
],
"chemical_system": "Mn-Sn-W",
"density": 12.117631189344841,
"density_atomic": 0.07077542618627171,
"volume": 56.51679142803776,
"volume_molar": 8.50880183208012,
"formula_full": "Mn2 Sn1 W1",
"formula_reduced": "Mn2SnW",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.270294045689655,
"spacegroup": 225
},
{
"id": "jvasp-11434",
"created_at": "2022-09-04T14:37:14.604692Z",
"updated_at": "2022-09-04T14:37:14.604710Z",
"structure_string": "Ce1 Fe4 P12\n1.0\n6.394718 -0.000000 -2.260874\n-3.197359 5.537989 -2.260874\n-0.000000 -0.000000 6.782623\nCe Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.649869 0.498588 0.848719 P\n0.848719 0.350132 0.198852 P\n0.649869 0.801149 0.151282 P\n0.498588 0.848719 0.649869 P\n0.151281 0.649869 0.801149 P\n0.501413 0.151281 0.350132 P\n0.350132 0.501413 0.151281 P\n0.151281 0.350132 0.501413 P\n0.801149 0.151281 0.649869 P\n0.198852 0.848719 0.350132 P\n0.350132 0.198852 0.848719 P\n0.848719 0.649869 0.498588 P\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"P"
],
"chemical_system": "Ce-Fe-P",
"density": 5.082440379812716,
"density_atomic": 0.07077465434777157,
"volume": 240.19898304929367,
"volume_molar": 8.508894625480592,
"formula_full": "Ce1 Fe4 P12",
"formula_reduced": "Ce(FeP3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.765494911764706,
"spacegroup": 204
},
{
"id": "jvasp-88851",
"created_at": "2022-09-04T14:35:44.039259Z",
"updated_at": "2022-09-04T14:35:44.039290Z",
"structure_string": "Ca2 V8 Ag4 O24\n1.0\n4.987913 -0.000000 0.000000\n0.000000 10.375145 0.000000\n0.000000 -0.000000 10.375145\nCa V Ag O\n2 8 4 24\ndirect\n0.500000 0.750000 0.750000 Ca\n0.500000 0.250000 0.250000 Ca\n0.000000 0.473493 0.750000 V\n0.000000 0.750000 0.026507 V\n0.000000 0.026507 0.750000 V\n0.000000 0.526506 0.250000 V\n0.000000 0.250000 0.526506 V\n0.000000 0.250000 0.973493 V\n0.000000 0.973493 0.250000 V\n0.000000 0.750000 0.473493 V\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.241905 0.438508 0.178415 O\n0.241905 0.178415 0.061491 O\n0.847782 0.130492 0.869507 O\n0.847782 0.369508 0.630492 O\n0.847782 0.869507 0.369508 O\n0.241905 0.561491 0.678415 O\n0.152217 0.369508 0.869507 O\n0.241905 0.938508 0.821585 O\n0.241905 0.678415 0.938508 O\n0.241905 0.821585 0.561491 O\n0.758095 0.678415 0.561491 O\n0.758095 0.938508 0.678415 O\n0.758095 0.561491 0.821585 O\n0.758095 0.821585 0.938508 O\n0.758095 0.438508 0.321585 O\n0.758095 0.061491 0.178415 O\n0.758095 0.321585 0.061491 O\n0.758095 0.178415 0.438508 O\n0.241905 0.321585 0.438508 O\n0.241905 0.061491 0.321585 O\n0.152217 0.630492 0.369508 O\n0.152217 0.130492 0.630492 O\n0.152217 0.869507 0.130492 O\n0.847782 0.630492 0.130492 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ca",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-V",
"density": 4.030278764230276,
"density_atomic": 0.0707744294184906,
"volume": 536.9170802537346,
"volume_molar": 8.50892166772686,
"formula_full": "Ca2 V8 Ag4 O24",
"formula_reduced": "CaV4(AgO6)2",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.8917733547368423,
"spacegroup": 125
},
{
"id": "jvasp-25638",
"created_at": "2022-09-04T14:37:42.770369Z",
"updated_at": "2022-09-04T14:37:42.770389Z",
"structure_string": "Na1 Zr2 Co1 F11\n1.0\n5.264582 0.012170 2.011654\n1.001843 5.168393 2.011654\n-0.006077 -0.005024 7.788870\nNa Zr Co F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.509942 0.509943 0.761374 Zr\n0.490056 0.490057 0.238625 Zr\n-0.000000 0.000000 0.500000 Co\n0.820575 0.221111 0.682907 F\n0.778889 0.179424 0.317092 F\n0.179423 0.778889 0.317092 F\n0.221109 0.820576 0.682907 F\n0.499999 0.500000 0.500000 F\n0.326353 0.673646 -0.000000 F\n0.673646 0.326353 -0.000000 F\n0.239540 0.239541 0.350196 F\n0.760458 0.760459 0.649803 F\n0.268095 0.268096 0.890379 F\n0.731904 0.731904 0.109620 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Co",
"F"
],
"chemical_system": "Co-F-Na-Zr",
"density": 3.708667253708427,
"density_atomic": 0.07077412858792607,
"volume": 211.94185360212222,
"volume_molar": 8.508957835515286,
"formula_full": "Na1 Zr2 Co1 F11",
"formula_reduced": "NaZr2CoF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.5737648004999999,
"spacegroup": 12
},
{
"id": "jvasp-71517",
"created_at": "2022-09-04T14:35:57.762758Z",
"updated_at": "2022-09-04T14:35:57.762774Z",
"structure_string": "Be2 Tc1 Br1\n1.0\n3.132293 0.000000 0.000000\n0.000000 3.132293 0.000000\n0.000000 0.000000 5.760710\nBe Tc Br\n2 1 1\ndirect\n0.000000 0.000000 0.672421 Be\n0.000000 0.000000 0.327579 Be\n0.499999 0.499999 0.500000 Tc\n0.499999 0.499999 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Br"
],
"chemical_system": "Be-Br-Tc",
"density": 5.756329383684456,
"density_atomic": 0.07077163329236287,
"volume": 56.51982035621113,
"volume_molar": 8.509257847875418,
"formula_full": "Be2 Tc1 Br1",
"formula_reduced": "Be2TcBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.32489445125,
"spacegroup": 123
},
{
"id": "jvasp-112340",
"created_at": "2022-09-04T14:38:26.462419Z",
"updated_at": "2022-09-04T14:38:26.462447Z",
"structure_string": "Zr4 Cr2 Fe6\n1.0\n4.924128 -0.032016 0.000000\n-2.548265 4.212723 0.000000\n-0.000000 -0.000000 8.206226\nZr Cr Fe\n4 2 6\ndirect\n0.335253 0.664717 0.189514 Zr\n0.666484 0.333556 0.315802 Zr\n0.666484 0.333556 0.684199 Zr\n0.335253 0.664717 0.810487 Zr\n0.831072 0.668356 -0.000000 Cr\n0.331743 0.168993 -0.000000 Cr\n0.822896 0.177006 -0.000000 Fe\n0.167487 0.333090 0.500000 Fe\n0.666778 0.832450 0.500000 Fe\n0.169311 0.830665 0.500000 Fe\n0.003494 -0.003510 0.250592 Fe\n0.003494 -0.003510 0.749408 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Zr",
"density": 7.87332694149521,
"density_atomic": 0.07077126612936314,
"volume": 169.56034074712102,
"volume_molar": 8.509301994106053,
"formula_full": "Zr4 Cr2 Fe6",
"formula_reduced": "Zr2CrFe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.343320483333335,
"spacegroup": 38
},
{
"id": "jvasp-79829",
"created_at": "2022-09-04T14:37:14.131854Z",
"updated_at": "2022-09-04T14:37:14.131882Z",
"structure_string": "Ti2 Co1 Re1\n1.0\n0.000005 3.045968 3.045971\n3.045977 -0.000003 3.045977\n3.045966 3.045964 0.000010\nTi Co Re\n2 1 1\ndirect\n-0.000001 1.000001 1.000000 Ti\n0.499999 0.500000 0.499999 Ti\n0.249999 0.250000 0.250002 Co\n0.750001 0.750001 0.750000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Re"
],
"chemical_system": "Co-Re-Ti",
"density": 10.01467831863397,
"density_atomic": 0.07077074581345259,
"volume": 56.520529125745796,
"volume_molar": 8.509364555623023,
"formula_full": "Ti2 Co1 Re1",
"formula_reduced": "Ti2CoRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.343248891666667,
"spacegroup": 225
},
{
"id": "jvasp-110087",
"created_at": "2022-09-04T14:38:27.188774Z",
"updated_at": "2022-09-04T14:38:27.188784Z",
"structure_string": "Sr2 Ca1 Os1 O6\n1.0\n5.063115 -0.000000 2.923191\n1.687705 4.773551 2.923191\n-0.000000 -0.000000 5.846382\nSr Ca Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.749999 Sr\n0.500001 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Os\n0.767044 0.232956 0.232956 O\n0.232957 0.767043 0.767043 O\n0.232957 0.767043 0.232956 O\n0.767044 0.232956 0.767043 O\n0.232957 0.232956 0.767043 O\n0.767045 0.767043 0.232955 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Os",
"O"
],
"chemical_system": "Ca-O-Os-Sr",
"density": 5.89402448864182,
"density_atomic": 0.07077069373270692,
"volume": 141.30142679919027,
"volume_molar": 8.5093708177356,
"formula_full": "Sr2 Ca1 Os1 O6",
"formula_reduced": "Sr2CaOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0122379040000005,
"spacegroup": 225
},
{
"id": "jvasp-91607",
"created_at": "2022-09-04T14:36:02.170274Z",
"updated_at": "2022-09-04T14:36:02.170302Z",
"structure_string": "Pd6 N2\n1.0\n4.835198 0.000000 0.000000\n0.000000 4.835198 0.000000\n0.000000 0.000000 4.835198\nPd N\n6 2\ndirect\n0.000000 0.500000 0.750000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.000000 0.500000 Pd\n0.000000 0.500000 0.250000 Pd\n0.500000 0.750000 0.000000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 9.791026481740667,
"density_atomic": 0.07076967447189438,
"volume": 113.04276951531179,
"volume_molar": 8.509493374018058,
"formula_full": "Pd6 N2",
"formula_reduced": "Pd3N",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8489925875,
"spacegroup": 223
},
{
"id": "jvasp-35317",
"created_at": "2022-09-04T14:37:37.055633Z",
"updated_at": "2022-09-04T14:37:37.055652Z",
"structure_string": "Lu1 In1 Co4\n1.0\n-3.486800 -3.486800 0.000000\n-3.486800 0.000000 -3.486800\n-0.000000 -3.486800 -3.486800\nLu In Co\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 In\n0.374689 0.374689 0.374689 Co\n0.875934 0.374689 0.374689 Co\n0.374689 0.875934 0.374689 Co\n0.374689 0.374689 0.875934 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"In",
"Co"
],
"chemical_system": "Co-In-Lu",
"density": 10.292607321158421,
"density_atomic": 0.0707685248215686,
"volume": 84.783454440064,
"volume_molar": 8.509631612618541,
"formula_full": "Lu1 In1 Co4",
"formula_reduced": "LuInCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5536148866666664,
"spacegroup": 216
},
{
"id": "jvasp-39322",
"created_at": "2022-09-04T14:37:57.476875Z",
"updated_at": "2022-09-04T14:37:57.476903Z",
"structure_string": "Lu2 Mo2 C3\n1.0\n5.616731 1.666651 0.035570\n-5.616731 1.666651 -0.035570\n-1.876413 0.000000 5.271414\nLu Mo C\n2 2 3\ndirect\n0.615847 0.384150 0.817849 Lu\n0.384150 0.615848 0.182151 Lu\n0.852542 0.147455 0.634716 Mo\n0.147456 0.852542 0.365282 Mo\n0.268923 0.731074 0.747931 C\n0.731075 0.268922 0.252069 C\n0.999998 0.999998 0.500000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Lu",
"Mo",
"C"
],
"chemical_system": "C-Lu-Mo",
"density": 9.700585887469911,
"density_atomic": 0.07076764138808067,
"volume": 98.91526498124895,
"volume_molar": 8.50973784328257,
"formula_full": "Lu2 Mo2 C3",
"formula_reduced": "Lu2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.273943328571429,
"spacegroup": 12
}
]
}