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&page=4013",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4011",
"results": [
{
"id": "jvasp-59701",
"created_at": "2022-09-04T14:38:33.512585Z",
"updated_at": "2022-09-04T14:38:33.512601Z",
"structure_string": "Si4 P8\n1.0\n5.783281 -0.000000 -0.000000\n0.000000 5.783281 0.000000\n0.000000 0.000000 5.783281\nSi P\n4 8\ndirect\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.608707 0.608707 0.608707 P\n0.891293 0.391293 0.108707 P\n0.108707 0.891293 0.391293 P\n0.391293 0.108707 0.891293 P\n0.608707 0.891293 0.108707 P\n0.891293 0.108707 0.608707 P\n0.108707 0.608707 0.891293 P\n0.391293 0.391293 0.391293 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"P"
],
"chemical_system": "P-Si",
"density": 3.0916337719565865,
"density_atomic": 0.06203808202485692,
"volume": 193.42957758094352,
"volume_molar": 9.707167861164852,
"formula_full": "Si4 P8",
"formula_reduced": "SiP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6517832,
"spacegroup": 205
},
{
"id": "jvasp-58438",
"created_at": "2022-09-04T14:38:18.954430Z",
"updated_at": "2022-09-04T14:38:18.954455Z",
"structure_string": "K2 Li1 Al1 F6\n1.0\n4.813989 0.000000 2.779357\n1.604663 4.538672 2.779357\n0.000000 0.000000 5.558716\nK Li Al F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750002 K\n0.250000 0.250000 0.250001 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Al\n0.765977 0.234023 0.234024 F\n0.765977 0.234023 0.765978 F\n0.234023 0.765976 0.765978 F\n0.234023 0.234023 0.765978 F\n0.765977 0.765976 0.234024 F\n0.234023 0.765976 0.234024 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-K-Li",
"density": 3.091431587222437,
"density_atomic": 0.08233635214600107,
"volume": 121.45303671296642,
"volume_molar": 7.314072828149315,
"formula_full": "K2 Li1 Al1 F6",
"formula_reduced": "K2LiAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100055",
"created_at": "2022-09-04T14:36:21.968561Z",
"updated_at": "2022-09-04T14:36:21.968582Z",
"structure_string": "Cr1 F6\n1.0\n4.345692 0.077647 2.886461\n1.587981 4.045910 2.886461\n0.111732 0.077647 5.215766\nCr F\n1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.919684 0.221672 0.629024 F\n0.221670 0.629025 0.919686 F\n0.370975 0.080315 0.778330 F\n0.778328 0.370977 0.080314 F\n0.080314 0.778329 0.370976 F\n0.629023 0.919686 0.221671 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.0912353918010664,
"density_atomic": 0.07850696745442151,
"volume": 89.16406055378414,
"volume_molar": 7.670836048400739,
"formula_full": "Cr1 F6",
"formula_reduced": "CrF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.3371055850000002,
"spacegroup": 148
},
{
"id": "jvasp-39091",
"created_at": "2022-09-04T14:38:05.821792Z",
"updated_at": "2022-09-04T14:38:05.821823Z",
"structure_string": "Si3 F1\n1.0\n-2.140379 2.140379 3.027150\n2.140379 -2.140379 3.027150\n2.140379 2.140379 -3.027150\nSi F\n3 1\ndirect\n0.749998 0.249999 0.499999 Si\n0.249999 0.749998 0.499999 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"F"
],
"chemical_system": "F-Si",
"density": 3.0908966649374334,
"density_atomic": 0.07210820685675805,
"volume": 55.4721879015234,
"volume_molar": 8.351533095203573,
"formula_full": "Si3 F1",
"formula_reduced": "Si3F",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2916965375,
"spacegroup": 225
},
{
"id": "jvasp-25382",
"created_at": "2022-09-04T14:37:50.815680Z",
"updated_at": "2022-09-04T14:37:50.815710Z",
"structure_string": "Kr1\n1.0\n2.241033 2.241033 2.241033\n2.241033 -2.241033 -2.241033\n-2.241033 2.241033 -2.241033\nKr\n1\ndirect\n0.000000 0.000000 0.000000 Kr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 3.090850536190855,
"density_atomic": 0.022212388127992606,
"volume": 45.01992285736152,
"volume_molar": 27.111631245137247,
"formula_full": "Kr1",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy_above_hull": 0.0064600000000001,
"spacegroup": 229
},
{
"id": "jvasp-97470",
"created_at": "2022-09-04T14:35:55.460589Z",
"updated_at": "2022-09-04T14:35:55.460599Z",
"structure_string": "Si12 N16\n1.0\n7.490871 0.000000 0.000000\n-3.745436 6.487285 -0.000000\n0.000000 -0.000000 6.204410\nSi N\n12 16\ndirect\n0.092089 0.496056 0.751526 Si\n0.066224 0.830319 0.029340 Si\n0.933774 0.764094 0.529340 Si\n0.496056 0.092090 0.251526 Si\n0.403966 0.907909 0.751526 Si\n0.596033 0.503943 0.251526 Si\n0.830320 0.066225 0.529340 Si\n0.764094 0.933774 0.029340 Si\n0.235905 0.169680 0.529340 Si\n0.503943 0.596033 0.751526 Si\n0.907910 0.403966 0.251526 Si\n0.169680 0.235905 0.029340 Si\n0.314804 0.339656 0.765573 N\n0.975148 0.660343 0.265573 N\n0.962023 0.341196 0.516277 N\n0.660343 0.975148 0.765573 N\n0.379173 0.037977 0.516277 N\n0.000000 0.000000 0.179264 N\n0.037976 0.379173 0.016277 N\n0.339656 0.314804 0.265573 N\n0.685195 0.024852 0.265573 N\n0.341195 0.962022 0.016277 N\n0.024851 0.685195 0.765573 N\n0.658803 0.620827 0.516277 N\n0.000000 0.000000 0.882587 N\n0.620826 0.658803 0.016277 N\n0.000000 0.000000 0.382587 N\n0.000000 0.000000 0.679264 N\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Si",
"N"
],
"chemical_system": "N-Si",
"density": 3.0904326061354284,
"density_atomic": 0.09286717748235844,
"volume": 301.50587924693883,
"volume_molar": 6.484681588545102,
"formula_full": "Si12 N16",
"formula_reduced": "Si3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.827995542857143,
"spacegroup": 159
},
{
"id": "jvasp-44574",
"created_at": "2022-09-04T14:38:10.614672Z",
"updated_at": "2022-09-04T14:38:10.614693Z",
"structure_string": "Na4 Mn2 As2 C2 O14\n1.0\n0.000000 5.311906 -0.108412\n6.650796 0.000000 0.000000\n0.000000 -0.156654 -9.118072\nNa Mn As C O\n4 2 2 2 14\ndirect\n0.785039 0.498603 0.221187 Na\n0.785039 0.001398 0.221187 Na\n0.214962 0.501398 0.778812 Na\n0.214962 0.998603 0.778812 Na\n0.228661 0.250000 0.349218 Mn\n0.771340 0.750000 0.650782 Mn\n0.304932 0.750000 0.428082 As\n0.695069 0.250000 0.571918 As\n0.302543 0.250000 0.072254 C\n0.697459 0.750000 0.927746 C\n0.497523 0.750000 0.848154 O\n0.773898 0.044577 0.675853 O\n0.773898 0.455423 0.675853 O\n0.162326 0.750000 0.595585 O\n0.367489 0.250000 0.545784 O\n0.632513 0.750000 0.454215 O\n0.089114 0.250000 0.150364 O\n0.226103 0.544578 0.324146 O\n0.226103 0.955423 0.324146 O\n0.502478 0.250000 0.151845 O\n0.910887 0.750000 0.849635 O\n0.704212 0.750000 0.065387 O\n0.837676 0.250000 0.404415 O\n0.295789 0.250000 0.934613 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Mn",
"As",
"C",
"O"
],
"chemical_system": "As-C-Mn-Na-O",
"density": 3.090278450661784,
"density_atomic": 0.07447867824391995,
"volume": 322.2398754365547,
"volume_molar": 8.085724534849163,
"formula_full": "Na4 Mn2 As2 C2 O14",
"formula_reduced": "Na2MnAsCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.712666790948276,
"spacegroup": 11
},
{
"id": "jvasp-12127",
"created_at": "2022-09-04T14:36:54.320021Z",
"updated_at": "2022-09-04T14:36:54.320051Z",
"structure_string": "V4 O4 F12\n1.0\n5.097471 0.000000 0.000000\n0.000000 5.561805 -0.108202\n0.000000 0.035944 9.395217\nV O F\n4 4 12\ndirect\n0.913550 0.673918 0.376097 V\n0.586449 0.673917 0.876097 V\n0.413550 0.326081 0.123904 V\n0.086450 0.326081 0.623904 V\n0.337361 0.198369 0.557977 O\n0.837361 0.801629 0.942024 O\n0.162639 0.198369 0.057977 O\n0.662638 0.801630 0.442024 O\n0.790948 0.547192 0.211956 F\n0.603720 0.088297 0.185907 F\n0.365572 0.653599 0.044531 F\n0.634428 0.346400 0.955469 F\n0.709052 0.547191 0.711956 F\n0.896280 0.088297 0.685908 F\n0.209052 0.452807 0.788045 F\n0.290948 0.452807 0.288044 F\n0.865572 0.346400 0.455469 F\n0.103720 0.911701 0.314093 F\n0.134428 0.653598 0.544531 F\n0.396280 0.911701 0.814093 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.0902761362461644,
"density_atomic": 0.07507932089460466,
"volume": 266.384934782185,
"volume_molar": 8.02103786800869,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8014717094999999,
"spacegroup": 14
},
{
"id": "jvasp-119912",
"created_at": "2022-09-04T14:38:53.812248Z",
"updated_at": "2022-09-04T14:38:53.812279Z",
"structure_string": "B1 H1 O2\n1.0\n1.248441 0.720788 4.360960\n-1.248441 0.720788 4.360960\n-0.000000 -1.441576 4.360960\nB H O\n1 1 2\ndirect\n0.004566 0.004566 0.004566 B\n0.517509 0.517509 0.517509 H\n0.395988 0.395988 0.395988 O\n0.595338 0.595338 0.595338 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"H",
"O"
],
"chemical_system": "B-H-O",
"density": 3.0902253251932055,
"density_atomic": 0.16988344807250577,
"volume": 23.545554586888368,
"volume_molar": 3.544866099862635,
"formula_full": "B1 H1 O2",
"formula_reduced": "BHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.622937395833333,
"spacegroup": 160
},
{
"id": "jvasp-48433",
"created_at": "2022-09-04T14:35:55.967068Z",
"updated_at": "2022-09-04T14:35:55.967090Z",
"structure_string": "Li6 Co2 O4 F2\n1.0\n5.428876 0.223794 -0.041682\n0.581716 5.137766 -0.003396\n0.273759 2.566987 5.060333\nLi Co O F\n6 2 4 2\ndirect\n0.883703 0.243630 0.368483 Li\n0.841010 0.837133 0.974799 Li\n0.579647 0.001388 0.287287 Li\n0.420354 -0.001389 0.712713 Li\n0.158991 0.162868 0.025200 Li\n0.116298 0.756370 0.631516 Li\n0.642128 0.524566 0.658288 Co\n0.357873 0.475435 0.341711 Co\n0.757380 0.866153 0.639424 O\n0.668958 0.619386 0.282542 O\n0.331044 0.380615 0.717457 O\n0.242621 0.133848 0.360575 O\n0.810782 0.201391 0.037144 F\n0.189220 0.798609 -0.037144 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.090053859188648,
"density_atomic": 0.09962354853514031,
"volume": 140.5290235677739,
"volume_molar": 6.044896862789227,
"formula_full": "Li6 Co2 O4 F2",
"formula_reduced": "Li3CoO2F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.3655568832142857,
"spacegroup": 2
},
{
"id": "jvasp-20156",
"created_at": "2022-09-04T14:37:41.902498Z",
"updated_at": "2022-09-04T14:37:41.902529Z",
"structure_string": "Be12 Mo1\n1.0\n3.890098 -0.000013 1.601763\n1.945032 5.105875 0.800882\n0.000999 -0.000000 5.522185\nBe Mo\n12 1\ndirect\n0.500000 0.000000 0.499999 Be\n-0.000000 0.500000 -0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.350327 0.649660 0.649659 Be\n0.000000 0.350342 0.649657 Be\n0.000000 0.649657 0.350342 Be\n0.649673 0.350340 0.350339 Be\n0.288367 0.211620 0.211619 Be\n0.500000 0.788389 0.211610 Be\n0.500000 0.211611 0.788388 Be\n0.711633 0.788380 0.788379 Be\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Mo"
],
"chemical_system": "Be-Mo",
"density": 3.0899597953557345,
"density_atomic": 0.11853141753017785,
"volume": 109.67556341499272,
"volume_molar": 5.080628313979942,
"formula_full": "Be12 Mo1",
"formula_reduced": "Be12Mo",
"formula_anonymous": "AB12",
"energy_above_hull": 2.6414068538461537,
"spacegroup": 139
},
{
"id": "jvasp-20270",
"created_at": "2022-09-04T14:37:59.355450Z",
"updated_at": "2022-09-04T14:37:59.355474Z",
"structure_string": "Mg24 As16\n1.0\n10.140058 -0.000000 -3.585052\n-5.070028 8.781548 -3.585052\n0.000000 0.000000 10.755155\nMg As\n24 16\ndirect\n0.024415 0.492705 0.758841 Mg\n0.531710 0.524416 0.765576 Mg\n0.241160 0.975585 0.507295 Mg\n0.734425 0.258840 0.766137 Mg\n0.968290 0.733864 0.992706 Mg\n0.258840 0.766136 0.734425 Mg\n0.992705 0.968290 0.733865 Mg\n0.524415 0.765575 0.531711 Mg\n0.765575 0.531710 0.524416 Mg\n0.733864 0.992706 0.968291 Mg\n0.766136 0.734425 0.258841 Mg\n0.975585 0.507295 0.241160 Mg\n0.507295 0.241160 0.975585 Mg\n0.007295 0.031710 0.266136 Mg\n0.475585 0.234425 0.468290 Mg\n0.233864 0.265575 0.741160 Mg\n0.266136 0.007295 0.031710 Mg\n0.468290 0.475585 0.234425 Mg\n0.234425 0.468290 0.475585 Mg\n0.265575 0.741160 0.233864 Mg\n0.031710 0.266136 0.007295 Mg\n0.492705 0.758840 0.024416 Mg\n0.741160 0.233864 0.265575 Mg\n0.758840 0.024415 0.492706 Mg\n0.500000 0.000000 0.000000 As\n0.227894 0.977894 0.250000 As\n-0.000000 0.500000 0.000000 As\n0.250000 0.227894 0.977895 As\n0.272106 0.522106 0.750001 As\n0.522106 0.750000 0.272106 As\n0.977894 0.250000 0.227894 As\n0.772106 0.022106 0.750001 As\n0.750000 0.772106 0.022106 As\n0.727894 0.477894 0.250000 As\n0.477894 0.250000 0.727895 As\n0.022106 0.750000 0.772107 As\n0.250000 0.727894 0.477895 As\n-0.000000 -0.000000 0.500000 As\n0.750000 0.272106 0.522106 As\n0.500000 0.500000 0.500000 As\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 3.089901192943916,
"density_atomic": 0.041766857347632205,
"volume": 957.6971441033647,
"volume_molar": 14.418467518101165,
"formula_full": "Mg24 As16",
"formula_reduced": "Mg3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.30202013,
"spacegroup": 206
}
]
}