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=3445",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=3443",
"results": [
{
"id": "jvasp-105585",
"created_at": "2022-09-04T14:36:47.633081Z",
"updated_at": "2022-09-04T14:36:47.633102Z",
"structure_string": "Co1 Sn1 F6\n1.0\n4.566717 0.081006 3.109376\n1.687010 4.244463 3.109376\n0.117118 0.081006 5.523533\nCo Sn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.099911 0.397419 0.750389 F\n0.397419 0.750389 0.099911 F\n0.249611 0.900089 0.602581 F\n0.602581 0.249612 0.900089 F\n0.900090 0.602582 0.249611 F\n0.750390 0.099912 0.397419 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Sn",
"F"
],
"chemical_system": "Co-F-Sn",
"density": 4.65340211445347,
"density_atomic": 0.07687301104209879,
"volume": 104.06773315564385,
"volume_molar": 7.833881720467579,
"formula_full": "Co1 Sn1 F6",
"formula_reduced": "CoSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1247505368749999,
"spacegroup": 148
},
{
"id": "jvasp-37330",
"created_at": "2022-09-04T14:38:04.622944Z",
"updated_at": "2022-09-04T14:38:04.622972Z",
"structure_string": "Tb2 B8 Ir8\n1.0\n7.675799 -0.000000 0.000000\n0.000000 7.675799 -0.000000\n-0.000000 -0.000000 3.974131\nTb B Ir\n2 8 8\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.656906 0.224447 0.111190 B\n0.224447 0.343094 0.888810 B\n0.775553 0.656906 0.888810 B\n0.343094 0.775553 0.111190 B\n0.275553 0.156906 0.611190 B\n0.156906 0.724447 0.388810 B\n0.843094 0.275553 0.388810 B\n0.724447 0.843094 0.611190 B\n0.392046 0.162115 0.112660 Ir\n0.892046 0.662115 0.387340 Ir\n0.107954 0.337885 0.387340 Ir\n0.337885 0.892046 0.612660 Ir\n0.662115 0.107954 0.612660 Ir\n0.837885 0.392046 0.887339 Ir\n0.162115 0.607954 0.887339 Ir\n0.607954 0.837885 0.112660 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"B",
"Ir"
],
"chemical_system": "B-Ir-Tb",
"density": 13.772908489887998,
"density_atomic": 0.07687464778407434,
"volume": 234.14741424973334,
"volume_molar": 7.833714928899577,
"formula_full": "Tb2 B8 Ir8",
"formula_reduced": "Tb(BIr)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.915078125925926,
"spacegroup": 86
},
{
"id": "jvasp-59257",
"created_at": "2022-09-04T14:38:34.134938Z",
"updated_at": "2022-09-04T14:38:34.134952Z",
"structure_string": "Ba4 Mn4 O12\n1.0\n2.843370 -4.924861 0.000000\n2.843370 4.924861 -0.000000\n-0.000000 -0.000000 9.289302\nBa Mn O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.887329 Mn\n0.666667 0.333333 0.612670 Mn\n0.333333 0.666667 0.387329 Mn\n0.333333 0.666667 0.112671 Mn\n0.500000 0.500000 0.500000 O\n0.625377 0.812689 0.250000 O\n0.812689 0.625377 0.750000 O\n0.374623 0.187311 0.750000 O\n0.000000 0.500000 0.500000 O\n0.187311 0.374623 0.250000 O\n0.812689 0.187311 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.187311 0.812689 0.250000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 6.134172644469468,
"density_atomic": 0.07687578498305586,
"volume": 260.15994509074847,
"volume_molar": 7.833599047251791,
"formula_full": "Ba4 Mn4 O12",
"formula_reduced": "BaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8972207422758625,
"spacegroup": 194
},
{
"id": "jvasp-71312",
"created_at": "2022-09-04T14:36:21.744787Z",
"updated_at": "2022-09-04T14:36:21.744802Z",
"structure_string": "Hf1 Be2 Ir1\n1.0\n2.910919 -0.000000 -0.000000\n0.000000 2.910919 0.000000\n0.000000 0.000000 6.140532\nHf Be Ir\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.691136 Be\n0.000000 0.000000 0.308864 Be\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ir"
],
"chemical_system": "Be-Hf-Ir",
"density": 12.406018918757919,
"density_atomic": 0.07687652620260572,
"volume": 52.0314873418984,
"volume_molar": 7.833523518126761,
"formula_full": "Hf1 Be2 Ir1",
"formula_reduced": "HfBe2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.345036575,
"spacegroup": 123
},
{
"id": "jvasp-61365",
"created_at": "2022-09-04T14:36:04.512156Z",
"updated_at": "2022-09-04T14:36:04.512177Z",
"structure_string": "V10 As6 C2\n1.0\n3.578079 -6.197414 -0.000000\n3.578079 6.197414 0.000000\n0.000000 -0.000000 5.279413\nV As C\n10 6 2\ndirect\n0.333333 0.666667 0.000000 V\n0.222876 0.222876 0.750000 V\n0.777124 0.000000 0.750000 V\n0.777125 0.777125 0.250000 V\n0.000000 0.222876 0.250000 V\n0.000000 0.777124 0.750000 V\n0.333333 0.666667 0.500000 V\n0.666667 0.333333 0.000000 V\n0.666667 0.333333 0.500000 V\n0.222876 0.000000 0.250000 V\n0.597112 0.000000 0.250000 As\n0.000000 0.597112 0.250000 As\n0.402888 0.402888 0.250000 As\n0.402888 0.000000 0.750000 As\n0.000000 0.402888 0.750000 As\n0.597113 0.597113 0.750000 As\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"As",
"C"
],
"chemical_system": "As-C-V",
"density": 6.971263949899072,
"density_atomic": 0.07687700188271512,
"volume": 234.1402442756692,
"volume_molar": 7.833475047827023,
"formula_full": "V10 As6 C2",
"formula_reduced": "V5As3C",
"formula_anonymous": "AB3C5",
"energy_above_hull": 4.526732916666667,
"spacegroup": 193
},
{
"id": "jvasp-95358",
"created_at": "2022-09-04T14:35:58.098042Z",
"updated_at": "2022-09-04T14:35:58.098054Z",
"structure_string": "Fe12 S12\n1.0\n5.846563 -0.000000 0.000000\n-2.923281 5.063271 -0.000000\n0.000000 -0.000000 10.545819\nFe S\n12 12\ndirect\n0.405116 0.067980 0.114835 Fe\n0.932020 0.337137 0.385165 Fe\n0.932020 0.337137 0.114835 Fe\n0.662863 0.594883 0.114835 Fe\n0.337137 0.932020 0.885165 Fe\n0.594883 0.662863 0.885165 Fe\n0.067980 0.405117 0.885165 Fe\n0.405116 0.067980 0.385165 Fe\n0.067980 0.405117 0.614836 Fe\n0.337137 0.932020 0.614836 Fe\n0.594883 0.662863 0.614836 Fe\n0.662863 0.594883 0.385165 Fe\n0.026483 0.675177 0.750000 S\n0.333333 0.666667 0.035583 S\n0.333333 0.666667 0.464417 S\n0.666667 0.333333 0.964417 S\n0.666667 0.333333 0.535583 S\n0.675176 0.026483 0.250000 S\n0.351307 0.324823 0.250000 S\n0.973516 0.648693 0.250000 S\n0.648693 0.973516 0.750000 S\n0.324823 0.351307 0.750000 S\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.611209760177712,
"density_atomic": 0.0768774770136586,
"volume": 312.18506293769224,
"volume_molar": 7.833426634084342,
"formula_full": "Fe12 S12",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy_above_hull": 1.5900577499999995,
"spacegroup": 190
},
{
"id": "jvasp-122933",
"created_at": "2022-09-04T14:38:55.290393Z",
"updated_at": "2022-09-04T14:38:55.290421Z",
"structure_string": "Li1 V1\n1.0\n2.963072 0.000000 0.000000\n0.000000 2.963072 0.000000\n0.000000 0.000000 2.963072\nLi V\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"V"
],
"chemical_system": "Li-V",
"density": 3.6946198921173194,
"density_atomic": 0.07687823108095011,
"volume": 26.01516673678495,
"volume_molar": 7.833349799189442,
"formula_full": "Li1 V1",
"formula_reduced": "LiV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-107340",
"created_at": "2022-09-04T14:36:46.576791Z",
"updated_at": "2022-09-04T14:36:46.576812Z",
"structure_string": "Ga1 Fe1\n1.0\n2.752517 -0.000000 0.000000\n-1.376259 2.383749 0.000000\n0.000000 0.000000 3.964672\nGa Fe\n1 1\ndirect\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 -0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.015493698755282,
"density_atomic": 0.0768833322685375,
"volume": 26.01344063774988,
"volume_molar": 7.832830058621698,
"formula_full": "Ga1 Fe1",
"formula_reduced": "GaFe",
"formula_anonymous": "AB",
"energy_above_hull": 0.9762239124999998,
"spacegroup": 187
},
{
"id": "jvasp-24612",
"created_at": "2022-09-04T14:37:14.973403Z",
"updated_at": "2022-09-04T14:37:14.973430Z",
"structure_string": "N2 Cl2 O12\n1.0\n5.437975 -0.044540 1.742357\n0.931225 5.357832 1.742357\n0.067808 0.056566 7.169556\nN Cl O\n2 2 12\ndirect\n0.834724 0.165276 0.750001 N\n0.165275 0.834724 0.250001 N\n0.679485 0.320514 0.250001 Cl\n0.320514 0.679486 0.750001 Cl\n0.301702 0.971837 0.202795 O\n0.028162 0.698297 0.297207 O\n0.250270 0.856599 0.875660 O\n0.143401 0.749729 0.624342 O\n0.749728 0.143401 0.124342 O\n0.856598 0.250271 0.375660 O\n0.572231 0.694744 0.621110 O\n0.305255 0.427769 0.878892 O\n0.427768 0.305256 0.378892 O\n0.694743 0.572231 0.121110 O\n0.971837 0.301703 0.702795 O\n0.698297 0.028163 0.797207 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 2.3212812268298473,
"density_atomic": 0.07688413093075203,
"volume": 208.10536330846836,
"volume_molar": 7.832748692215848,
"formula_full": "N2 Cl2 O12",
"formula_reduced": "NClO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.8854572896875004,
"spacegroup": 15
},
{
"id": "jvasp-68256",
"created_at": "2022-09-04T14:35:42.943333Z",
"updated_at": "2022-09-04T14:35:42.943358Z",
"structure_string": "Be1 Co1 Pt2\n1.0\n-1.831928 1.831928 3.875578\n1.831928 -1.831928 3.875578\n1.831928 1.831928 -3.875578\nBe Co Pt\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500000 Co\n0.000000 0.000000 0.000000 Pt\n0.250000 0.750001 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Pt"
],
"chemical_system": "Be-Co-Pt",
"density": 14.622067901503566,
"density_atomic": 0.07688590253548751,
"volume": 52.025142036327885,
"volume_molar": 7.832568210043989,
"formula_full": "Be1 Co1 Pt2",
"formula_reduced": "BeCoPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.54919495,
"spacegroup": 119
},
{
"id": "jvasp-97816",
"created_at": "2022-09-04T14:36:02.181627Z",
"updated_at": "2022-09-04T14:36:02.181652Z",
"structure_string": "K2 Ta15 O32\n1.0\n7.467431 0.004714 10.405173\n3.350740 6.673461 10.405173\n0.007636 0.004714 12.807423\nK Ta O\n2 15 32\ndirect\n0.859993 0.859991 0.859991 K\n0.140008 0.140008 0.140008 K\n0.362862 0.362861 0.362862 Ta\n0.500001 0.499999 0.500000 Ta\n0.972829 0.298057 0.428635 Ta\n0.428636 0.972828 0.298058 Ta\n0.027172 0.701941 0.571364 Ta\n0.701942 0.571364 0.027171 Ta\n0.298059 0.428635 0.972828 Ta\n0.770414 0.184376 0.946858 Ta\n0.184378 0.946858 0.770413 Ta\n0.946859 0.770412 0.184377 Ta\n0.229587 0.815622 0.053141 Ta\n0.815623 0.053141 0.229587 Ta\n0.053142 0.229586 0.815622 Ta\n0.571365 0.027170 0.701942 Ta\n0.637139 0.637137 0.637138 Ta\n0.457437 0.571918 0.156743 O\n0.039367 0.859488 0.301541 O\n0.859489 0.301541 0.039367 O\n0.301542 0.039366 0.859488 O\n0.542564 0.428080 0.843256 O\n0.428082 0.843256 0.542562 O\n0.843257 0.542562 0.428081 O\n0.733750 0.318975 0.543564 O\n0.831727 0.428270 0.739920 O\n0.318976 0.543564 0.733749 O\n0.543565 0.733749 0.318975 O\n0.266251 0.681024 0.456435 O\n0.681025 0.456435 0.266251 O\n0.456436 0.266250 0.681024 O\n0.150654 0.029813 0.444523 O\n0.029813 0.444523 0.150653 O\n0.444524 0.150653 0.029813 O\n0.849347 0.970186 0.555476 O\n0.970188 0.555475 0.849346 O\n0.555477 0.849345 0.970186 O\n0.262799 0.262799 0.262799 O\n0.737202 0.737200 0.737201 O\n0.960634 0.140511 0.698458 O\n0.140512 0.698458 0.960633 O\n0.698459 0.960633 0.140511 O\n0.260080 0.168273 0.571729 O\n0.571730 0.260079 0.168273 O\n0.168274 0.571729 0.260080 O\n0.739921 0.831726 0.428270 O\n0.428271 0.739919 0.831726 O\n0.156744 0.457437 0.571918 O\n0.571919 0.156743 0.457437 O\n",
"nsites": 49,
"nelements": 3,
"elements": [
"K",
"Ta",
"O"
],
"chemical_system": "K-O-Ta",
"density": 8.60980073034465,
"density_atomic": 0.0768861381079376,
"volume": 637.3060372886816,
"volume_molar": 7.832544211735202,
"formula_full": "K2 Ta15 O32",
"formula_reduced": "K2Ta15O32",
"formula_anonymous": "A2B15C32",
"energy_above_hull": 4.624994612244898,
"spacegroup": 148
},
{
"id": "jvasp-121989",
"created_at": "2022-09-04T14:38:54.250809Z",
"updated_at": "2022-09-04T14:38:54.250826Z",
"structure_string": "Co1 Mo4 O15\n1.0\n5.264158 -0.065159 1.196512\n0.045206 6.596842 0.107427\n-0.088819 0.058621 7.469793\nCo Mo O\n1 4 15\ndirect\n0.000000 0.000000 0.000000 Co\n0.550609 0.303089 0.813779 Mo\n0.449392 0.696910 0.186221 Mo\n0.880960 0.327663 0.384364 Mo\n0.119041 0.672336 0.615636 Mo\n0.048539 0.830452 0.803988 O\n0.951462 0.169548 0.196011 O\n0.665945 0.500847 0.308763 O\n0.334056 0.499152 0.691236 O\n0.164184 0.499429 0.351057 O\n0.835817 0.500570 0.648943 O\n0.500001 0.500000 -0.000000 O\n0.626047 0.190601 0.567130 O\n0.064041 0.141897 0.536045 O\n0.717968 0.848567 0.106654 O\n0.282033 0.151432 0.893345 O\n0.212223 0.833588 0.104214 O\n0.787778 0.166411 0.895786 O\n0.373954 0.809398 0.432869 O\n0.935960 0.858103 0.463954 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Mo",
"O"
],
"chemical_system": "Co-Mo-O",
"density": 4.358484556005605,
"density_atomic": 0.07689472730688426,
"volume": 260.09585703036146,
"volume_molar": 7.831669310648361,
"formula_full": "Co1 Mo4 O15",
"formula_reduced": "CoMo4O15",
"formula_anonymous": "AB4C15",
"energy_above_hull": 3.92662685,
"spacegroup": 2
}
]
}