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=-energy_above_hull&page=414",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=412",
"results": [
{
"id": "jvasp-65490",
"created_at": "2022-09-04T14:35:57.000773Z",
"updated_at": "2022-09-04T14:35:57.000800Z",
"structure_string": "Ba1 Ta1 Mn2\n1.0\n3.354290 0.000000 0.000000\n0.000000 3.354290 0.000000\n-0.000000 0.000000 7.482349\nBa Ta Mn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.857390 Mn\n0.000000 0.000000 0.142610 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Mn"
],
"chemical_system": "Ba-Mn-Ta",
"density": 8.445140002750025,
"density_atomic": 0.04751391487170313,
"volume": 84.18586451570624,
"volume_molar": 12.674478152896805,
"formula_full": "Ba1 Ta1 Mn2",
"formula_reduced": "BaTaMn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8781599131896543,
"spacegroup": 123
},
{
"id": "jvasp-20586",
"created_at": "2022-09-04T14:38:15.415858Z",
"updated_at": "2022-09-04T14:38:15.415877Z",
"structure_string": "Tb1 C2\n1.0\n3.282018 0.000000 -1.675146\n-0.854997 3.168693 -1.675146\n0.006237 0.008144 4.064929\nTb C\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.603726 0.603726 0.207453 C\n0.396274 0.396272 0.792545 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"C"
],
"chemical_system": "C-Tb",
"density": 7.171017122071265,
"density_atomic": 0.07081548240087407,
"volume": 42.36361736572695,
"volume_molar": 8.503988895972936,
"formula_full": "Tb1 C2",
"formula_reduced": "TbC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.8779794666666656,
"spacegroup": 139
},
{
"id": "jvasp-100537",
"created_at": "2022-09-04T14:36:39.941812Z",
"updated_at": "2022-09-04T14:36:39.941827Z",
"structure_string": "Ti2 H1 C1\n1.0\n2.953065 -0.002467 4.189695\n1.326353 2.638445 4.189695\n-0.004005 -0.002467 5.125829\nTi H C\n2 1 1\ndirect\n0.244182 0.244180 0.244183 Ti\n0.755819 0.755816 0.755822 Ti\n0.000000 0.000000 0.000000 H\n0.500000 0.499998 0.500002 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"H",
"C"
],
"chemical_system": "C-H-Ti",
"density": 4.5129182281689575,
"density_atomic": 0.0999605299431635,
"volume": 40.01579425673671,
"volume_molar": 6.024518640931702,
"formula_full": "Ti2 H1 C1",
"formula_reduced": "Ti2HC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8779466666666673,
"spacegroup": 166
},
{
"id": "jvasp-116567",
"created_at": "2022-09-04T14:38:44.037058Z",
"updated_at": "2022-09-04T14:38:44.037096Z",
"structure_string": "Tb6 Fe23\n1.0\n7.269123 -0.000000 4.196830\n2.423041 6.853395 4.196830\n-0.000000 -0.000000 8.393660\nTb Fe\n6 23\ndirect\n0.792011 0.792011 0.207989 Tb\n0.207989 0.792011 0.207989 Tb\n0.792011 0.207989 0.207989 Tb\n0.207989 0.207989 0.792011 Tb\n0.792011 0.207989 0.792011 Tb\n0.207989 0.792011 0.792011 Tb\n0.175533 0.473403 0.175533 Fe\n0.175533 0.175533 0.473403 Fe\n0.824467 0.824467 0.824468 Fe\n0.526597 0.824467 0.824468 Fe\n0.824467 0.526597 0.824468 Fe\n0.824467 0.824467 0.526597 Fe\n0.378101 0.378100 0.378101 Fe\n0.865699 0.378100 0.378101 Fe\n0.378101 0.865699 0.378101 Fe\n0.378101 0.378100 0.865699 Fe\n0.621899 0.134301 0.621900 Fe\n0.134301 0.621899 0.621900 Fe\n0.473403 0.175533 0.175533 Fe\n0.621899 0.621899 0.134301 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.621899 0.621899 0.621900 Fe\n0.175533 0.175533 0.175533 Fe\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Tb",
"Fe"
],
"chemical_system": "Fe-Tb",
"density": 8.887252555768274,
"density_atomic": 0.06935197662627506,
"volume": 418.1567910641628,
"volume_molar": 8.683445019097581,
"formula_full": "Tb6 Fe23",
"formula_reduced": "Tb6Fe23",
"formula_anonymous": "A6B23",
"energy_above_hull": 3.877896789655172,
"spacegroup": 225
},
{
"id": "jvasp-93277",
"created_at": "2022-09-04T14:36:16.626589Z",
"updated_at": "2022-09-04T14:36:16.626620Z",
"structure_string": "Fe3 Ni1 N1\n1.0\n4.274020 -0.000000 -0.000000\n0.000000 4.274020 -0.000000\n0.000000 -0.000000 4.274020\nFe Ni N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"N"
],
"chemical_system": "Fe-N-Ni",
"density": 5.109470644294224,
"density_atomic": 0.06404133167813768,
"volume": 78.07457885368882,
"volume_molar": 9.40352207269267,
"formula_full": "Fe3 Ni1 N1",
"formula_reduced": "Fe3NiN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.87784643,
"spacegroup": 221
},
{
"id": "jvasp-92375",
"created_at": "2022-09-04T14:35:43.012670Z",
"updated_at": "2022-09-04T14:35:43.012698Z",
"structure_string": "Fe3 Ni1 N1\n1.0\n4.274023 -0.000000 0.000000\n0.000000 4.274023 0.000000\n-0.000000 0.000000 4.274023\nFe Ni N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"N"
],
"chemical_system": "Fe-N-Ni",
"density": 5.109459885062579,
"density_atomic": 0.06404119682355677,
"volume": 78.07474325902683,
"volume_molar": 9.403541874134415,
"formula_full": "Fe3 Ni1 N1",
"formula_reduced": "Fe3NiN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.87784643,
"spacegroup": 221
},
{
"id": "jvasp-30667",
"created_at": "2022-09-04T14:37:38.358404Z",
"updated_at": "2022-09-04T14:37:38.358437Z",
"structure_string": "Re4 O14\n1.0\n5.020335 0.000000 -1.365883\n0.000000 5.379136 -0.000000\n-0.321702 -0.000000 8.726692\nRe O\n4 14\ndirect\n0.630294 0.250000 0.770992 Re\n0.859300 0.250000 0.229008 Re\n0.369706 0.750000 0.229008 Re\n0.140699 0.750000 0.770992 Re\n0.162729 0.750000 0.000000 O\n0.837270 0.250000 0.000000 O\n0.129338 0.000000 0.258677 O\n0.870661 0.500000 0.741324 O\n0.414005 0.000000 0.828009 O\n0.585994 0.500000 0.171991 O\n0.414005 0.500000 0.828009 O\n0.870661 0.000000 0.741324 O\n0.430937 0.250000 0.571608 O\n0.859328 0.250000 0.428392 O\n0.569063 0.750000 0.428392 O\n0.140672 0.750000 0.571608 O\n0.585994 0.000000 0.171991 O\n0.129338 0.500000 0.258677 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Re",
"O"
],
"chemical_system": "O-Re",
"density": 6.895645818764694,
"density_atomic": 0.07715346549440455,
"volume": 233.30125075594208,
"volume_molar": 7.805405397424109,
"formula_full": "Re4 O14",
"formula_reduced": "Re2O7",
"formula_anonymous": "A2B7",
"energy_above_hull": 3.8777922777777776,
"spacegroup": 63
},
{
"id": "jvasp-9533",
"created_at": "2022-09-04T14:37:20.077185Z",
"updated_at": "2022-09-04T14:37:20.077211Z",
"structure_string": "Re4 O14\n1.0\n5.019321 0.000000 -1.365607\n-0.000000 5.379515 0.000000\n-0.319795 0.000000 8.731702\nRe O\n4 14\ndirect\n0.630347 0.250000 0.771145 Re\n0.859200 0.250000 0.228854 Re\n0.369654 0.749999 0.228854 Re\n0.140801 0.749999 0.771146 Re\n0.162581 0.749999 -0.000000 O\n0.837419 0.250000 -0.000000 O\n0.129307 0.000000 0.258616 O\n0.870694 0.500000 0.741385 O\n0.414112 0.000000 0.828221 O\n0.585889 0.500000 0.171779 O\n0.414112 0.500000 0.828221 O\n0.870694 0.000000 0.741385 O\n0.430763 0.250000 0.571948 O\n0.858814 0.250000 0.428051 O\n0.569238 0.749999 0.428051 O\n0.141187 0.749999 0.571949 O\n0.585889 0.000000 0.171779 O\n0.129307 0.500000 0.258616 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Re",
"O"
],
"chemical_system": "O-Re",
"density": 6.892142164906759,
"density_atomic": 0.07711426408468353,
"volume": 233.41985057697218,
"volume_molar": 7.8093733130705205,
"formula_full": "Re4 O14",
"formula_reduced": "Re2O7",
"formula_anonymous": "A2B7",
"energy_above_hull": 3.8777711666666654,
"spacegroup": 63
},
{
"id": "jvasp-59773",
"created_at": "2022-09-04T14:37:05.764867Z",
"updated_at": "2022-09-04T14:37:05.764889Z",
"structure_string": "Mn12 Ge4 Ir4\n1.0\n6.575578 -0.000000 0.000000\n0.000000 6.575578 0.000000\n-0.000000 -0.000000 6.575578\nMn Ge Ir\n12 4 4\ndirect\n0.121743 0.205650 0.452811 Mn\n0.378258 0.794351 0.952811 Mn\n0.878258 0.705650 0.047189 Mn\n0.705650 0.047189 0.878258 Mn\n0.547189 0.621743 0.294350 Mn\n0.047189 0.878258 0.705650 Mn\n0.621743 0.294350 0.547189 Mn\n0.952811 0.378258 0.794351 Mn\n0.294350 0.547189 0.621743 Mn\n0.205650 0.452811 0.121743 Mn\n0.452811 0.121743 0.205650 Mn\n0.794351 0.952811 0.378258 Mn\n0.941288 0.558713 0.441287 Ge\n0.558713 0.441287 0.941288 Ge\n0.441287 0.941288 0.558713 Ge\n0.058713 0.058713 0.058713 Ge\n0.809393 0.309393 0.190607 Ir\n0.309393 0.190607 0.809393 Ir\n0.190607 0.809393 0.309393 Ir\n0.690607 0.690607 0.690607 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Mn",
"density": 10.037913908162624,
"density_atomic": 0.07034418371227935,
"volume": 284.31632786875,
"volume_molar": 8.560964733959619,
"formula_full": "Mn12 Ge4 Ir4",
"formula_reduced": "Mn3GeIr",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.8776757548275858,
"spacegroup": 198
},
{
"id": "jvasp-12706",
"created_at": "2022-09-04T14:38:12.317065Z",
"updated_at": "2022-09-04T14:38:12.317081Z",
"structure_string": "Y1 Mo3 O8\n1.0\n5.196821 -0.045417 -0.027762\n-0.009732 5.761276 -0.028054\n-0.008180 2.846725 5.009072\nY Mo O\n1 3 8\ndirect\n0.262752 0.678726 0.679060 Y\n0.742321 0.163695 0.691002 Mo\n0.746876 0.147194 0.147540 Mo\n0.742315 0.690654 0.164041 Mo\n0.547051 0.486189 0.014812 O\n0.941314 0.333342 0.333687 O\n0.981015 0.328208 0.836667 O\n0.957256 0.838618 0.838962 O\n0.547063 0.014458 0.486545 O\n0.474354 -0.016785 -0.016437 O\n0.981011 0.836316 0.328551 O\n0.537563 0.497304 0.497656 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Mo",
"O"
],
"chemical_system": "Mo-O-Y",
"density": 5.573071272690625,
"density_atomic": 0.07979493547476223,
"volume": 150.385484098742,
"volume_molar": 7.547021279194719,
"formula_full": "Y1 Mo3 O8",
"formula_reduced": "YMo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.8774525958333337,
"spacegroup": 8
},
{
"id": "jvasp-28875",
"created_at": "2022-09-04T14:37:48.447121Z",
"updated_at": "2022-09-04T14:37:48.447154Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n3.345403 -0.000004 0.000006\n-1.672705 2.897225 0.000036\n0.000066 0.000564 36.106839\nTe W Se S\n2 4 4 2\ndirect\n0.333372 0.666772 0.332985 Te\n0.333422 0.666838 0.227155 Te\n0.333441 0.666897 0.093171 W\n0.333221 0.666454 0.473578 W\n0.666720 0.333453 0.280081 W\n0.666617 0.333188 0.656099 W\n0.333262 0.666486 0.702412 Se\n0.666568 0.333139 0.427195 Se\n0.666527 0.333088 0.519937 Se\n0.333304 0.666540 0.609735 Se\n0.666789 0.333578 0.051019 S\n0.666762 0.333559 0.135385 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.503060706989118,
"density_atomic": 0.034289520371109515,
"volume": 349.9611505243027,
"volume_molar": 17.56262757490749,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.877439083333333,
"spacegroup": 156
},
{
"id": "jvasp-68202",
"created_at": "2022-09-04T14:35:40.771984Z",
"updated_at": "2022-09-04T14:35:40.772013Z",
"structure_string": "Ta2 Be1 Br1\n1.0\n3.001756 -0.000000 0.000000\n-0.000000 3.001756 -0.000000\n-0.000000 -0.000000 8.547402\nTa Be Br\n2 1 1\ndirect\n0.000000 0.000000 0.008689 Ta\n0.500001 0.500001 0.263995 Ta\n0.000000 0.000000 0.433514 Be\n0.500001 0.500001 0.793801 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ta",
"density": 9.719850934709973,
"density_atomic": 0.05193678788151467,
"volume": 77.01669978369377,
"volume_molar": 11.595135174201635,
"formula_full": "Ta2 Be1 Br1",
"formula_reduced": "Ta2BeBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8773046512499993,
"spacegroup": 99
}
]
}