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&page=1102",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1100",
"results": [
{
"id": "jvasp-4609",
"created_at": "2022-09-04T14:36:17.762156Z",
"updated_at": "2022-09-04T14:36:17.762189Z",
"structure_string": "Mn2 P2 Se6\n1.0\n5.791033 -0.000322 4.932609\n2.277772 5.324264 4.932613\n-0.000492 -0.000330 7.607016\nMn P Se\n2 2 6\ndirect\n0.832472 0.832472 0.832473 Mn\n0.167527 0.167527 0.167528 Mn\n0.556344 0.556344 0.556344 P\n0.443656 0.443656 0.443656 P\n0.412416 0.754359 0.078167 Se\n0.078167 0.412416 0.754360 Se\n0.754359 0.078167 0.412417 Se\n0.587584 0.245641 0.921834 Se\n0.921833 0.587584 0.245641 Se\n0.245640 0.921833 0.587584 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"P",
"Se"
],
"chemical_system": "Mn-P-Se",
"density": 4.570111553031698,
"density_atomic": 0.04263096905487761,
"volume": 234.571257039156,
"volume_molar": 14.126211281399385,
"formula_full": "Mn2 P2 Se6",
"formula_reduced": "MnPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3841845682758613,
"spacegroup": 148
},
{
"id": "jvasp-112718",
"created_at": "2022-09-04T14:38:41.923945Z",
"updated_at": "2022-09-04T14:38:41.923971Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.976189 0.000202 0.000000\n-1.988195 5.453028 0.000000\n0.000000 -0.000000 10.817760\nCa Sn O\n2 4 10\ndirect\n0.807030 0.614035 0.750000 Ca\n0.192970 0.385966 0.250000 Ca\n0.131502 0.262970 0.563271 Sn\n0.868498 0.737031 0.436728 Sn\n0.868498 0.737031 0.063272 Sn\n0.131502 0.262970 0.936729 Sn\n0.801154 0.602353 0.250000 O\n0.198846 0.397648 0.750000 O\n0.305849 0.611716 0.053202 O\n0.694152 0.388285 0.946798 O\n0.694152 0.388285 0.553202 O\n0.305849 0.611716 0.446797 O\n-0.047809 -0.095441 0.609710 O\n0.047809 0.095440 0.390290 O\n-0.047809 -0.095441 0.890290 O\n0.047809 0.095440 0.109711 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.061729488338827,
"density_atomic": 0.06821342391553062,
"volume": 234.5579371563721,
"volume_molar": 8.828380712068169,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.554032395833333,
"spacegroup": 63
},
{
"id": "jvasp-104120",
"created_at": "2022-09-04T14:36:53.696214Z",
"updated_at": "2022-09-04T14:36:53.696246Z",
"structure_string": "H6 C11 S2 O1\n1.0\n3.814562 0.015314 0.024982\n1.455455 6.343471 2.066416\n-0.589235 -0.320522 9.595124\nH C S O\n6 11 2 1\ndirect\n0.922187 0.180550 0.200188 H\n0.530109 0.114269 0.807601 H\n0.364536 0.284515 0.528790 H\n0.096522 0.886463 0.177055 H\n0.245620 0.733707 0.974296 H\n0.791522 0.328581 0.404129 H\n0.890045 0.418837 0.310760 C\n0.962800 0.334308 0.196182 C\n0.876590 0.698866 0.434805 C\n0.940489 0.617641 0.307040 C\n0.095236 0.446206 0.077281 C\n0.188834 0.397590 0.837694 C\n0.133315 0.648351 0.066006 C\n0.029749 0.560581 0.573538 C\n0.264215 0.361912 0.609075 C\n0.354906 0.268709 0.757871 C\n0.050540 0.733537 0.180964 C\n0.620324 0.937844 0.415247 S\n0.925468 0.636410 0.731031 S\n0.223898 0.328629 0.983203 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5454284229065924,
"density_atomic": 0.08526808754498191,
"volume": 234.55434003312547,
"volume_molar": 7.062596257741922,
"formula_full": "H6 C11 S2 O1",
"formula_reduced": "H6C11S2O",
"formula_anonymous": "AB2C6D11",
"energy_above_hull": 5.5651676750000005,
"spacegroup": 1
},
{
"id": "jvasp-103382",
"created_at": "2022-09-04T14:36:42.066245Z",
"updated_at": "2022-09-04T14:36:42.066264Z",
"structure_string": "Lu4 Sn2 Au4\n1.0\n8.162410 0.000000 -0.000000\n-0.000000 8.162410 0.000000\n-0.000000 0.000000 3.520468\nLu Sn Au\n4 2 4\ndirect\n0.840080 0.340080 0.500000 Lu\n0.159920 0.659920 0.500000 Lu\n0.340080 0.159920 0.500000 Lu\n0.659920 0.840080 0.500000 Lu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.632256 0.132256 0.000000 Au\n0.367744 0.867744 0.000000 Au\n0.132256 0.367744 0.000000 Au\n0.867744 0.632256 0.000000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Lu",
"Sn",
"Au"
],
"chemical_system": "Au-Lu-Sn",
"density": 12.213491202981489,
"density_atomic": 0.04263465838622426,
"volume": 234.55095873903176,
"volume_molar": 14.124988889194013,
"formula_full": "Lu4 Sn2 Au4",
"formula_reduced": "Lu2SnAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.707145668,
"spacegroup": 127
},
{
"id": "jvasp-85779",
"created_at": "2022-09-04T14:36:20.803831Z",
"updated_at": "2022-09-04T14:36:20.803859Z",
"structure_string": "Tl2 Cu2 H2 S2 O10\n1.0\n8.842240 0.000000 -0.886728\n0.000000 5.877755 0.000000\n-0.033881 0.000000 4.516345\nTl Cu H S O\n2 2 2 2 10\ndirect\n0.604870 0.250000 0.886481 Tl\n0.395130 0.749999 0.113520 Tl\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.892893 0.250000 0.589183 H\n0.107107 0.749999 0.410817 H\n0.227325 0.250000 0.510706 S\n0.772675 0.749999 0.489295 S\n0.641148 0.749999 0.660799 O\n0.358852 0.250000 0.339202 O\n0.220529 0.041262 0.689753 O\n0.779471 0.541261 0.310247 O\n0.891026 0.250000 0.807004 O\n0.220529 0.458738 0.689753 O\n0.108975 0.749999 0.192997 O\n0.078953 0.250000 0.291743 O\n0.779471 0.958737 0.310247 O\n0.921047 0.749999 0.708258 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Tl",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-O-S-Tl",
"density": 5.394723144883549,
"density_atomic": 0.07674294556558987,
"volume": 234.54924576247785,
"volume_molar": 7.847158739630418,
"formula_full": "Tl2 Cu2 H2 S2 O10",
"formula_reduced": "TlCuHSO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.904603394444444,
"spacegroup": 11
},
{
"id": "jvasp-155",
"created_at": "2022-09-04T14:36:58.147946Z",
"updated_at": "2022-09-04T14:36:58.147971Z",
"structure_string": "Pd4 S8\n1.0\n5.532249 0.000000 0.000000\n0.000000 5.612249 0.000000\n0.000000 0.000000 7.553893\nPd S\n4 8\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.604570 0.109947 0.082911 S\n0.104570 0.390053 0.917088 S\n0.395431 0.609948 0.417089 S\n0.895431 0.890053 0.582911 S\n0.104570 0.109947 0.417089 S\n0.604570 0.390053 0.582911 S\n0.895431 0.609948 0.082911 S\n0.395431 0.890053 0.917088 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 4.8300467414818895,
"density_atomic": 0.0511648572816802,
"volume": 234.53598109217538,
"volume_molar": 11.770072428514823,
"formula_full": "Pd4 S8",
"formula_reduced": "PdS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5107585666666663,
"spacegroup": 61
},
{
"id": "jvasp-86104",
"created_at": "2022-09-04T14:35:53.060344Z",
"updated_at": "2022-09-04T14:35:53.060356Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.369767 0.000000 0.000000\n-3.184884 5.516381 -0.000000\n-0.000000 -0.000000 6.674365\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.500121 Cd\n0.333333 0.666667 0.499880 Cd\n0.000000 0.000000 0.000000 Ru\n0.250127 0.000066 0.183222 C\n0.000066 0.749939 0.816778 C\n0.749940 0.749873 0.183222 C\n0.749874 0.999934 0.816778 C\n0.999935 0.250061 0.183222 C\n0.250061 0.250127 0.816778 C\n0.385715 0.385789 0.696121 N\n0.999927 0.385714 0.303880 N\n0.614286 0.614211 0.303880 N\n0.385789 0.000073 0.303880 N\n0.000073 0.614285 0.696121 N\n0.614212 0.999927 0.696121 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412755209877636,
"density_atomic": 0.06395927104562035,
"volume": 234.52424886614045,
"volume_molar": 9.415586922034453,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627499299999999,
"spacegroup": 162
},
{
"id": "jvasp-86704",
"created_at": "2022-09-04T14:35:42.101491Z",
"updated_at": "2022-09-04T14:35:42.101512Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412808845815018,
"density_atomic": 0.06396027624969913,
"volume": 234.5205630669952,
"volume_molar": 9.415438946026017,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627496633333333,
"spacegroup": 162
},
{
"id": "jvasp-3885",
"created_at": "2022-09-04T14:36:05.213209Z",
"updated_at": "2022-09-04T14:36:05.213250Z",
"structure_string": "Tl2 Pt1 Cl6\n1.0\n5.994508 0.000000 3.460930\n1.998169 5.651676 3.460930\n0.000000 0.000000 6.921862\nTl Pt Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750001 0.749999 Tl\n0.000000 0.000000 0.000000 Pt\n0.760204 0.239797 0.239796 Cl\n0.760204 0.760204 0.239796 Cl\n0.239797 0.239797 0.760203 Cl\n0.760204 0.239797 0.760203 Cl\n0.239796 0.760204 0.239796 Cl\n0.239796 0.760204 0.760203 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt-Tl",
"density": 5.782132451882513,
"density_atomic": 0.0383785685332627,
"volume": 234.50588033786883,
"volume_molar": 15.691415782692918,
"formula_full": "Tl2 Pt1 Cl6",
"formula_reduced": "Tl2PtCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1621623338888888,
"spacegroup": 225
},
{
"id": "jvasp-97789",
"created_at": "2022-09-04T14:36:04.460447Z",
"updated_at": "2022-09-04T14:36:04.460476Z",
"structure_string": "La4 Mn2 Co2 O12\n1.0\n5.481237 0.000000 0.000000\n0.000000 5.513091 0.002616\n0.000000 0.007247 7.759563\nLa Mn Co O\n4 2 2 12\ndirect\n0.973919 0.004634 0.749810 La\n0.026082 0.995367 0.250190 La\n0.526083 0.504634 0.249811 La\n0.473918 0.495366 0.750189 La\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500001 0.500000 Mn\n0.000000 0.499999 0.000000 Co\n0.500000 0.999999 0.500000 Co\n0.493096 0.064413 0.244107 O\n0.993097 0.435587 0.255893 O\n0.772868 0.783963 0.034213 O\n0.717084 0.271348 0.965722 O\n0.217084 0.228652 0.534278 O\n0.282917 0.728651 0.034278 O\n0.782917 0.771349 0.465723 O\n0.727134 0.283962 0.534212 O\n0.227133 0.216038 0.965787 O\n0.272867 0.716038 0.465788 O\n0.506903 0.935586 0.755893 O\n0.006902 0.564414 0.744107 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-La-Mn-O",
"density": 6.907198882965291,
"density_atomic": 0.08529413767753852,
"volume": 234.4827035547465,
"volume_molar": 7.060439232960179,
"formula_full": "La4 Mn2 Co2 O12",
"formula_reduced": "La2MnCoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.8131059141379318,
"spacegroup": 14
},
{
"id": "jvasp-37715",
"created_at": "2022-09-04T14:38:01.639991Z",
"updated_at": "2022-09-04T14:38:01.640016Z",
"structure_string": "Tb6 H18\n1.0\n3.190766 -5.526570 -0.000000\n3.190766 5.526570 0.000000\n0.000000 0.000000 6.648488\nTb H\n6 18\ndirect\n0.000000 0.337546 0.750000 Tb\n0.337546 0.000000 0.750000 Tb\n0.662455 0.662455 0.750000 Tb\n0.662454 0.000000 0.250000 Tb\n0.000000 0.662454 0.250000 Tb\n0.337547 0.337547 0.250000 Tb\n0.032338 0.352868 0.090693 H\n0.666668 0.333334 0.184787 H\n0.000000 0.000000 0.250000 H\n0.333334 0.666668 0.315213 H\n0.967663 0.320530 0.409307 H\n0.352868 0.032338 0.409307 H\n0.679472 0.647133 0.409307 H\n0.320530 0.352869 0.590693 H\n0.666668 0.333334 0.684787 H\n0.032338 0.679471 0.590693 H\n0.647133 0.679472 0.090693 H\n0.000000 0.000000 0.750000 H\n0.333334 0.666668 0.815213 H\n0.967663 0.647133 0.909307 H\n0.352869 0.320530 0.909307 H\n0.679471 0.032338 0.909307 H\n0.647133 0.967663 0.590693 H\n0.320530 0.967663 0.090693 H\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Tb",
"H"
],
"chemical_system": "H-Tb",
"density": 6.881380281337676,
"density_atomic": 0.10235468497090755,
"volume": 234.4787637890885,
"volume_molar": 5.883600503202842,
"formula_full": "Tb6 H18",
"formula_reduced": "TbH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1161096,
"spacegroup": 165
},
{
"id": "jvasp-42437",
"created_at": "2022-09-04T14:37:29.529228Z",
"updated_at": "2022-09-04T14:37:29.529265Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.706343 -0.028169 -0.047890\n-0.742167 6.665209 0.047890\n-1.443402 1.297068 5.266675\nTi Mn V O\n1 1 4 12\ndirect\n0.913830 0.913831 0.250000 Ti\n0.084817 0.084817 0.750001 Mn\n0.197511 0.604811 0.762741 V\n0.389040 0.801124 0.261216 V\n0.604811 0.197510 0.737260 V\n0.801123 0.389041 0.238785 V\n0.817173 0.027701 0.859604 O\n0.616018 0.331365 0.421947 O\n0.634168 0.920402 0.248037 O\n0.668861 0.386302 0.925137 O\n0.331365 0.616018 0.078054 O\n0.182037 0.969899 0.122821 O\n0.386302 0.668861 0.574864 O\n0.920402 0.634168 0.251964 O\n0.097485 0.357455 0.774121 O\n0.027702 0.817173 0.640397 O\n0.357455 0.097485 0.725880 O\n0.969899 0.182037 0.377180 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5307764629566396,
"density_atomic": 0.07676669604243369,
"volume": 234.47667970561466,
"volume_molar": 7.844730945136926,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665903020817368,
"spacegroup": 5
}
]
}