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=154",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=152",
"results": [
{
"id": "jvasp-67307",
"created_at": "2022-09-04T14:35:42.291537Z",
"updated_at": "2022-09-04T14:35:42.291557Z",
"structure_string": "Ca1 Mg1 Be1\n1.0\n-1.669583 1.669583 5.856159\n1.669583 -1.669583 5.856159\n1.669583 1.669583 -5.856159\nCa Mg Be\n1 1 1\ndirect\n0.352524 0.352524 0.000000 Ca\n0.631469 0.631469 0.000000 Mg\n0.016007 0.016007 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Be"
],
"chemical_system": "Be-Ca-Mg",
"density": 1.8664990368597794,
"density_atomic": 0.04594437792493696,
"volume": 65.29634604915844,
"volume_molar": 13.107459567390068,
"formula_full": "Ca1 Mg1 Be1",
"formula_reduced": "CaMgBe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2474271208333333,
"spacegroup": 107
},
{
"id": "jvasp-34965",
"created_at": "2022-09-04T14:38:31.234639Z",
"updated_at": "2022-09-04T14:38:31.234652Z",
"structure_string": "Li8 Al3 Si5\n1.0\n6.268432 0.000000 -0.000000\n0.000000 6.268432 0.000000\n0.000000 0.000000 6.268432\nLi Al Si\n8 3 5\ndirect\n0.256044 0.743956 0.256044 Li\n0.743956 0.256044 0.256044 Li\n0.256044 0.256044 0.743956 Li\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.743956 0.743956 0.743956 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.249437 0.249437 0.249437 Si\n0.500000 0.500000 0.500000 Si\n0.750563 0.249437 0.750563 Si\n0.750563 0.750563 0.249437 Si\n0.249437 0.750563 0.750563 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Al",
"Si"
],
"chemical_system": "Al-Li-Si",
"density": 1.8667900518084053,
"density_atomic": 0.06495958260046597,
"volume": 246.30700136126228,
"volume_molar": 9.270596452318957,
"formula_full": "Li8 Al3 Si5",
"formula_reduced": "Li8Al3Si5",
"formula_anonymous": "A3B5C8",
"energy_above_hull": 2.0470438374999995,
"spacegroup": 215
},
{
"id": "jvasp-118321",
"created_at": "2022-09-04T14:38:32.659275Z",
"updated_at": "2022-09-04T14:38:32.659295Z",
"structure_string": "Ta1 O1 F1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nTa O F\n1 1 1\ndirect\n0.042767 0.413150 0.000000 Ta\n0.260829 -0.035076 0.000000 O\n-0.093784 -0.152546 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 1.8671755440273694,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Ta1 O1 F1",
"formula_reduced": "TaOF",
"formula_anonymous": "ABC",
"energy_above_hull": 3.4936143275,
"spacegroup": 6
},
{
"id": "jvasp-40477",
"created_at": "2022-09-04T14:37:51.431693Z",
"updated_at": "2022-09-04T14:37:51.431738Z",
"structure_string": "Li4 Ti1 S4\n1.0\n-0.000000 5.835257 0.000000\n2.917628 -2.917628 5.325117\n5.835257 0.000000 -0.000000\nLi Ti S\n4 1 4\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.716800 0.433600 0.283201 Li\n0.283201 0.566400 0.716800 Li\n0.000000 0.000000 0.000000 Ti\n0.345577 0.244249 0.101329 S\n0.654423 0.755752 0.345577 S\n0.898672 0.244249 0.654423 S\n0.101329 0.755752 0.898672 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Ti",
"S"
],
"chemical_system": "Li-S-Ti",
"density": 1.8672308865448242,
"density_atomic": 0.049635611727200386,
"volume": 181.3214280396989,
"volume_molar": 12.132701805103084,
"formula_full": "Li4 Ti1 S4",
"formula_reduced": "Li4TiS4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.7039442592592593,
"spacegroup": 121
},
{
"id": "jvasp-90534",
"created_at": "2022-09-04T14:35:50.828072Z",
"updated_at": "2022-09-04T14:35:50.828110Z",
"structure_string": "Li4 Ti1 S4\n1.0\n0.000000 5.835276 -0.000000\n2.917638 -2.917638 5.323661\n5.835276 0.000000 0.000000\nLi Ti S\n4 1 4\ndirect\n0.500000 0.000000 -0.000000 Li\n-0.000000 -0.000000 0.500000 Li\n0.716727 0.433455 0.283274 Li\n0.283273 0.566545 0.716728 Li\n0.000000 0.000000 0.000000 Ti\n0.345587 0.244268 0.101319 S\n0.654413 0.755731 0.345588 S\n0.898682 0.244268 0.654414 S\n0.101318 0.755731 0.898682 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Ti",
"S"
],
"chemical_system": "Li-S-Ti",
"density": 1.8677294037954852,
"density_atomic": 0.0496488635477821,
"volume": 181.27303138244835,
"volume_molar": 12.129463455300014,
"formula_full": "Li4 Ti1 S4",
"formula_reduced": "Li4TiS4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.7039564814814814,
"spacegroup": 121
},
{
"id": "jvasp-115184",
"created_at": "2022-09-04T14:38:44.632039Z",
"updated_at": "2022-09-04T14:38:44.632065Z",
"structure_string": "Li1 B1\n1.0\n4.509572 -0.073500 0.895777\n-1.935771 -2.193329 0.018454\n1.252763 0.825774 -1.477241\nLi B\n1 1\ndirect\n0.009903 0.905253 0.826822 Li\n0.509923 0.905202 0.826697 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.8679884442837715,
"density_atomic": 0.12673827572575266,
"volume": 15.78055239072192,
"volume_molar": 4.751635388374097,
"formula_full": "Li1 B1",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.9749862916666667,
"spacegroup": 123
},
{
"id": "jvasp-29421",
"created_at": "2022-09-04T14:38:03.414173Z",
"updated_at": "2022-09-04T14:38:03.414189Z",
"structure_string": "Mg4 H24 C8 O24\n1.0\n7.197630 -0.000000 0.000000\n0.000000 8.507897 0.000000\n0.000000 0.000000 8.731124\nMg H C O\n4 24 8 24\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.347107 0.515465 0.620467 H\n0.642873 0.123730 0.994821 H\n0.847107 0.984536 0.620467 H\n0.417606 0.187823 0.170574 H\n0.152893 0.515465 0.120468 H\n0.357127 0.876270 0.005179 H\n0.857127 0.623730 0.005179 H\n0.642873 0.623730 0.505178 H\n0.582394 0.312178 0.670574 H\n0.082394 0.187823 0.670574 H\n0.652893 0.484535 0.379532 H\n0.142873 0.376270 0.994821 H\n0.347107 0.015465 0.879532 H\n0.857127 0.123730 0.494821 H\n0.652893 0.984536 0.120468 H\n0.357127 0.376270 0.494821 H\n0.917606 0.812178 0.329426 H\n0.417606 0.687823 0.329426 H\n0.082394 0.687823 0.829426 H\n0.582394 0.812178 0.829426 H\n0.142873 0.876270 0.505178 H\n0.152893 0.015465 0.379532 H\n0.917606 0.312178 0.170574 H\n0.847107 0.484535 0.879532 H\n0.520392 0.234807 0.759105 C\n0.979608 0.734807 0.240894 C\n0.979608 0.234807 0.259106 C\n0.020392 0.265194 0.759105 C\n0.479608 0.765194 0.240894 C\n0.479608 0.265194 0.259106 C\n0.520392 0.734807 0.740894 C\n0.020392 0.765194 0.740894 C\n0.478587 0.218368 0.397205 O\n0.978587 0.781633 0.102795 O\n0.218637 0.465040 0.032741 O\n0.454954 0.603151 0.782390 O\n0.718637 0.534960 0.467258 O\n0.521413 0.281633 0.897205 O\n0.954954 0.396850 0.717610 O\n0.954954 0.896850 0.782390 O\n0.021413 0.218368 0.897205 O\n0.521413 0.781633 0.602794 O\n0.545045 0.396850 0.217610 O\n0.021413 0.718368 0.602794 O\n0.045046 0.103150 0.217610 O\n0.454954 0.103150 0.717610 O\n0.218637 0.965040 0.467258 O\n0.281363 0.965040 0.967258 O\n0.545045 0.896850 0.282390 O\n0.978587 0.281633 0.397205 O\n0.718637 0.034960 0.032741 O\n0.781363 0.534960 0.967258 O\n0.045046 0.603151 0.282390 O\n0.478587 0.718368 0.102795 O\n0.281363 0.465040 0.532741 O\n0.781363 0.034960 0.532741 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 1.8680550140660135,
"density_atomic": 0.11221976452968714,
"volume": 534.6651746371052,
"volume_molar": 5.366381568557716,
"formula_full": "Mg4 H24 C8 O24",
"formula_reduced": "MgH6(CO3)2",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 3.320054003333333,
"spacegroup": 61
},
{
"id": "jvasp-1171",
"created_at": "2022-09-04T14:36:55.506180Z",
"updated_at": "2022-09-04T14:36:55.506199Z",
"structure_string": "Na2 S1\n1.0\n3.993387 0.000000 2.305583\n1.331129 3.765001 2.305583\n0.000000 0.000000 4.611166\nNa S\n2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 1.8692800115774646,
"density_atomic": 0.04327170444403274,
"volume": 69.32936981671648,
"volume_molar": 13.917040794612069,
"formula_full": "Na2 S1",
"formula_reduced": "Na2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-115186",
"created_at": "2022-09-04T14:38:45.156573Z",
"updated_at": "2022-09-04T14:38:45.156590Z",
"structure_string": "Li1 B1\n1.0\n2.957389 -0.022148 -0.233446\n1.462460 -1.503613 0.035098\n-0.279714 -0.350479 -3.513051\nLi B\n1 1\ndirect\n0.915492 0.117824 0.086981 Li\n0.415401 0.117924 0.586989 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.8701432130975975,
"density_atomic": 0.1268844713218162,
"volume": 15.762370124295304,
"volume_molar": 4.746160579986251,
"formula_full": "Li1 B1",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.9754362916666668,
"spacegroup": 123
},
{
"id": "jvasp-98068",
"created_at": "2022-09-04T14:35:50.734251Z",
"updated_at": "2022-09-04T14:35:50.734276Z",
"structure_string": "Ti3 H24 C12 N3 O30\n1.0\n8.939816 0.000000 0.000000\n-4.469908 7.742107 -0.000000\n-0.000000 -0.000000 10.697885\nTi H C N O\n3 24 12 3 30\ndirect\n-0.000000 0.500000 0.833333 Ti\n0.500000 0.500000 0.166667 Ti\n0.500000 0.000000 0.500000 Ti\n0.079895 0.974562 0.888904 H\n0.897808 0.263302 0.346523 H\n0.736698 0.634506 0.679857 H\n0.920105 0.894666 0.777764 H\n0.263302 0.897808 0.986811 H\n0.263302 0.365495 0.679857 H\n0.974562 0.894666 0.222237 H\n0.025439 0.920105 0.444430 H\n0.079895 0.105334 0.777764 H\n0.634506 0.736698 0.653477 H\n0.736698 0.102192 0.986811 H\n0.634506 0.897808 0.013189 H\n0.102192 0.736698 0.346523 H\n0.025439 0.105334 0.222237 H\n0.102192 0.365495 0.320144 H\n0.894666 0.920105 0.555571 H\n0.105334 0.025439 0.111096 H\n0.974562 0.079895 0.444430 H\n0.920105 0.025439 0.888904 H\n0.365495 0.102192 0.013189 H\n0.365495 0.263302 0.653477 H\n0.105334 0.079895 0.555571 H\n0.897808 0.634506 0.320144 H\n0.894666 0.974562 0.111096 H\n0.213978 0.427955 0.000000 C\n0.310078 0.689923 0.666667 C\n0.786023 0.572045 0.000000 C\n0.689923 0.379845 0.000000 C\n0.213978 0.786023 0.666667 C\n0.620155 0.310078 0.333333 C\n0.379845 0.689923 0.333333 C\n0.786023 0.213978 0.666667 C\n0.572045 0.786023 0.333333 C\n0.310078 0.620155 0.000000 C\n0.427955 0.213978 0.333333 C\n0.689923 0.310078 0.666667 C\n0.000000 0.000000 0.833333 N\n0.000000 0.000000 0.166667 N\n0.000000 0.000000 0.500000 N\n0.749461 0.749461 0.666667 O\n0.453308 0.761692 0.608076 O\n-0.000000 0.250539 0.333333 O\n0.250540 0.000000 0.000000 O\n0.927642 0.280877 0.726510 O\n0.238308 0.546692 0.725257 O\n0.719124 0.072359 0.606824 O\n0.238308 0.691617 0.941411 O\n0.691617 0.453308 0.274743 O\n0.250540 0.250539 0.666667 O\n0.072359 0.353236 0.940158 O\n0.546692 0.308384 0.058590 O\n0.353236 0.280877 0.273491 O\n0.353236 0.072359 0.393176 O\n0.761692 0.453308 0.725257 O\n0.280877 0.927641 0.606824 O\n0.646765 0.719124 0.273491 O\n0.927642 0.646765 0.940158 O\n0.749461 0.000000 0.000000 O\n0.453309 0.691617 0.058590 O\n0.719124 0.646765 0.059842 O\n0.761692 0.308384 0.941411 O\n0.308384 0.546692 0.274743 O\n-0.000000 0.749461 0.333333 O\n0.072359 0.719124 0.726510 O\n0.546692 0.238308 0.608076 O\n0.691617 0.238308 0.391924 O\n0.308384 0.761692 0.391924 O\n0.280877 0.353236 0.059842 O\n0.646765 0.927641 0.393176 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Ti",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Ti",
"density": 1.87020358672584,
"density_atomic": 0.09724041911265233,
"volume": 740.4328432252901,
"volume_molar": 6.193042785041264,
"formula_full": "Ti3 H24 C12 N3 O30",
"formula_reduced": "TiH8C4NO10",
"formula_anonymous": "ABC4D8E10",
"energy_above_hull": 4.085421107638889,
"spacegroup": 181
},
{
"id": "jvasp-819",
"created_at": "2022-09-04T14:37:45.938338Z",
"updated_at": "2022-09-04T14:37:45.938363Z",
"structure_string": "Ar1\n1.0\n3.193591 -0.000000 1.843821\n1.064531 3.010947 1.843821\n-0.000000 0.000000 3.687642\nAr\n1\ndirect\n0.000000 0.000000 0.000000 Ar\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ar"
],
"chemical_system": "Ar",
"density": 1.870738048485067,
"density_atomic": 0.02820128130809556,
"volume": 35.45938175911661,
"volume_molar": 21.35413882159766,
"formula_full": "Ar1",
"formula_reduced": "Ar",
"formula_anonymous": "A",
"energy_above_hull": 4.39999999990448e-06,
"spacegroup": 225
},
{
"id": "jvasp-115071",
"created_at": "2022-09-04T14:38:44.631121Z",
"updated_at": "2022-09-04T14:38:44.631150Z",
"structure_string": "Mg1 P1 H1\n1.0\n2.704357 -0.000000 0.000000\n-0.000000 2.704357 0.000000\n-0.000000 -0.000000 6.829876\nMg P H\n1 1 1\ndirect\n0.000000 0.000000 0.611717 Mg\n0.000000 0.000000 0.043436 P\n0.000000 0.000000 0.259244 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"P",
"H"
],
"chemical_system": "H-Mg-P",
"density": 1.8711734107838436,
"density_atomic": 0.06005931740326739,
"volume": 49.95061765115552,
"volume_molar": 10.026988351473305,
"formula_full": "Mg1 P1 H1",
"formula_reduced": "MgPH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.48576485,
"spacegroup": 99
}
]
}