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=343",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=341",
"results": [
{
"id": "jvasp-91486",
"created_at": "2022-09-04T14:35:59.953971Z",
"updated_at": "2022-09-04T14:35:59.953999Z",
"structure_string": "Li12 Zr2 Be2 F24\n1.0\n6.251952 -0.000000 -2.080278\n-0.692193 6.213515 -2.080278\n-0.022389 -0.025022 10.367483\nLi Zr Be F\n12 2 2 24\ndirect\n0.853299 0.103299 0.206597 Li\n0.733665 0.000000 0.500000 Li\n0.396701 0.646700 0.293402 Li\n0.266335 0.500000 0.500000 Li\n0.500000 0.766335 -0.000000 Li\n0.733665 0.500000 0.500000 Li\n0.000000 0.766335 -0.000000 Li\n0.000000 0.233665 -0.000000 Li\n0.266335 0.000000 0.500000 Li\n0.500000 0.233665 -0.000000 Li\n0.603299 0.353299 0.706597 Li\n0.146701 0.896700 0.793402 Li\n0.875000 0.625000 0.250000 Zr\n0.125000 0.375000 0.750000 Zr\n0.375000 0.125000 0.250000 Be\n0.625000 0.875000 0.749999 Be\n0.425735 0.981882 0.351471 F\n0.922246 0.385104 0.344492 F\n0.922246 0.959386 0.344492 F\n0.210617 0.231612 0.921236 F\n0.789382 0.310376 0.078764 F\n0.518117 0.074265 0.148529 F\n0.869588 0.925735 0.851470 F\n0.574265 0.630411 0.648529 F\n0.885104 0.422246 0.844492 F\n0.481883 0.925735 0.851470 F\n0.114896 0.577753 0.155507 F\n0.540613 0.577753 0.155507 F\n0.459387 0.422246 0.844492 F\n0.731612 0.710617 0.421235 F\n0.810376 0.289383 0.578764 F\n0.189624 0.710617 0.421236 F\n0.210618 0.689623 0.921235 F\n0.789383 0.768387 0.078764 F\n0.077754 0.614895 0.655507 F\n0.574265 0.018118 0.648529 F\n0.425735 0.369588 0.351471 F\n0.130412 0.074265 0.148529 F\n0.268388 0.289383 0.578764 F\n0.077754 0.040613 0.655507 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Zr",
"Be",
"F"
],
"chemical_system": "Be-F-Li-Zr",
"density": 3.054893714101297,
"density_atomic": 0.09948007205272266,
"volume": 402.0905813055776,
"volume_molar": 6.053615197231032,
"formula_full": "Li12 Zr2 Be2 F24",
"formula_reduced": "Li6ZrBeF12",
"formula_anonymous": "ABC6D12",
"energy_above_hull": 0.3698571994999996,
"spacegroup": 141
},
{
"id": "jvasp-56619",
"created_at": "2022-09-04T14:37:37.577810Z",
"updated_at": "2022-09-04T14:37:37.577832Z",
"structure_string": "Ho10 Ga6\n1.0\n4.234284 -7.333995 -0.000000\n4.234284 7.333995 0.000000\n-0.000000 0.000000 6.473966\nHo Ga\n10 6\ndirect\n0.241888 0.241888 0.750000 Ho\n0.758112 -0.000001 0.750000 Ho\n0.333332 0.666667 0.000000 Ho\n0.758111 0.758111 0.250000 Ho\n-0.000000 0.241888 0.250000 Ho\n-0.000001 0.758112 0.750000 Ho\n0.666667 0.333332 0.000000 Ho\n0.241888 -0.000000 0.250000 Ho\n0.333332 0.666667 0.500000 Ho\n0.666667 0.333332 0.500000 Ho\n0.598433 -0.000000 0.250000 Ga\n-0.000000 0.401567 0.750000 Ga\n0.401567 0.401567 0.250000 Ga\n-0.000000 0.598433 0.250000 Ga\n0.401567 -0.000000 0.750000 Ga\n0.598432 0.598432 0.750000 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ho",
"Ga"
],
"chemical_system": "Ga-Ho",
"density": 8.538926433158288,
"density_atomic": 0.03979229428203268,
"volume": 402.08789889313925,
"volume_molar": 15.13393703141958,
"formula_full": "Ho10 Ga6",
"formula_reduced": "Ho5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.8208865333333333,
"spacegroup": 193
},
{
"id": "jvasp-28684",
"created_at": "2022-09-04T14:37:53.040662Z",
"updated_at": "2022-09-04T14:37:53.040680Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.419196 0.000001 -0.000001\n-1.709596 2.960730 0.000027\n-0.000007 0.000364 39.717489\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333314 0.666628 0.327562 Te\n0.666662 0.333321 0.423248 Te\n0.666643 0.333285 0.517896 Te\n0.333327 0.666656 0.233366 Te\n0.333403 0.666808 0.093987 Mo\n0.666616 0.333233 0.280565 Mo\n0.666697 0.333396 0.657864 Mo\n0.333359 0.666717 0.470573 W\n0.333369 0.666741 0.698932 Se\n0.333386 0.666774 0.616634 Se\n0.666615 0.333229 0.056455 S\n0.666601 0.333201 0.131666 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.972910033956341,
"density_atomic": 0.029845343918729048,
"volume": 402.07276661568505,
"volume_molar": 20.1778233026857,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.639392958333333,
"spacegroup": 156
},
{
"id": "jvasp-29114",
"created_at": "2022-09-04T14:37:00.052632Z",
"updated_at": "2022-09-04T14:37:00.052651Z",
"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.462397 -0.000002 0.000002\n-1.731199 2.998521 -0.000010\n0.000029 -0.000127 38.727159\nTe Mo W S\n6 2 2 2\ndirect\n0.333363 0.666727 0.329546 Te\n0.666641 0.333278 0.046334 Te\n0.666642 0.333281 0.421899 Te\n0.666646 0.333292 0.141745 Te\n0.666649 0.333297 0.518054 Te\n0.333355 0.666713 0.234009 Te\n0.333309 0.666617 0.093990 Mo\n0.666693 0.333388 0.281792 Mo\n0.333311 0.666621 0.469959 W\n0.666686 0.333373 0.657179 W\n0.333356 0.666714 0.695628 S\n0.333349 0.666697 0.618616 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.737762342970192,
"density_atomic": 0.02984570175160108,
"volume": 402.0679459934715,
"volume_molar": 20.1775813821397,
"formula_full": "Te6 Mo2 W2 S2",
"formula_reduced": "Te3MoWS",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.393274866666667,
"spacegroup": 156
},
{
"id": "jvasp-102457",
"created_at": "2022-09-04T14:36:47.704933Z",
"updated_at": "2022-09-04T14:36:47.704957Z",
"structure_string": "Ba6 Nd2\n1.0\n8.349926 -0.000000 0.000000\n-4.174963 7.231248 0.000000\n-0.000000 -0.000000 6.658761\nBa Nd\n6 2\ndirect\n0.828429 0.171572 0.750000 Ba\n0.343144 0.171572 0.750000 Ba\n0.828429 0.656857 0.750000 Ba\n0.171572 0.828428 0.250000 Ba\n0.656857 0.828428 0.250000 Ba\n0.171572 0.343144 0.250000 Ba\n0.666667 0.333333 0.250000 Nd\n0.333334 0.666667 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Nd"
],
"chemical_system": "Ba-Nd",
"density": 4.594504975871974,
"density_atomic": 0.01989759912609379,
"volume": 402.0585573818687,
"volume_molar": 30.26566532895188,
"formula_full": "Ba6 Nd2",
"formula_reduced": "Ba3Nd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2574848525,
"spacegroup": 194
},
{
"id": "jvasp-13030",
"created_at": "2022-09-04T14:37:02.513000Z",
"updated_at": "2022-09-04T14:37:02.513016Z",
"structure_string": "Li2 Au2 I8\n1.0\n0.000000 7.145335 -0.012078\n4.341772 0.000000 0.000000\n0.000000 -6.602041 -12.946146\nLi Au I\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.800499 0.009748 0.117933 I\n0.199500 0.509748 0.382067 I\n0.199500 0.990252 0.882067 I\n0.800500 0.490252 0.617933 I\n0.308609 0.651410 0.142532 I\n0.691391 0.151410 0.357468 I\n0.691391 0.348590 0.857469 I\n0.308609 0.848589 0.642532 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Au",
"I"
],
"chemical_system": "Au-I-Li",
"density": 5.878482357343805,
"density_atomic": 0.02985224065260513,
"volume": 401.9798761388047,
"volume_molar": 20.173161639960394,
"formula_full": "Li2 Au2 I8",
"formula_reduced": "LiAuI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-28919",
"created_at": "2022-09-04T14:37:35.975043Z",
"updated_at": "2022-09-04T14:37:35.975071Z",
"structure_string": "Te4 Mo1 W3 Se4\n1.0\n3.449258 0.000001 0.000000\n-1.724629 2.987132 0.000012\n-0.000000 0.000165 39.013236\nTe Mo W Se\n4 1 3 4\ndirect\n0.333358 0.666717 0.705231 Te\n0.666646 0.333292 0.421731 Te\n0.666646 0.333292 0.517376 Te\n0.333354 0.666709 0.609826 Te\n0.666685 0.333371 0.281786 Mo\n0.333315 0.666629 0.093937 W\n0.333314 0.666627 0.469576 W\n0.666686 0.333373 0.657604 W\n0.333355 0.666710 0.323703 Se\n0.666645 0.333288 0.052066 Se\n0.666646 0.333292 0.136001 Se\n0.333352 0.666705 0.239912 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.087879376551004,
"density_atomic": 0.029853077191961043,
"volume": 401.9686119068291,
"volume_molar": 20.172596350039473,
"formula_full": "Te4 Mo1 W3 Se4",
"formula_reduced": "Te4MoW3Se4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.9414092027777774,
"spacegroup": 156
},
{
"id": "jvasp-29138",
"created_at": "2022-09-04T14:37:34.438303Z",
"updated_at": "2022-09-04T14:37:34.438320Z",
"structure_string": "Te4 Mo1 W3 Se4\n1.0\n3.447048 0.000002 -0.000000\n-1.723522 2.985228 0.000004\n-0.000004 0.000053 39.062894\nTe Mo W Se\n4 1 3 4\ndirect\n0.333354 0.666707 0.329505 Te\n0.666648 0.333292 0.421952 Te\n0.666650 0.333297 0.517551 Te\n0.333353 0.666705 0.233899 Te\n0.333311 0.666621 0.093931 Mo\n0.333316 0.666627 0.469730 W\n0.666687 0.333371 0.281722 W\n0.666688 0.333375 0.657524 W\n0.333357 0.666713 0.699433 Se\n0.666646 0.333292 0.052201 Se\n0.666644 0.333287 0.135808 Se\n0.333355 0.666708 0.615492 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.08791784283701,
"density_atomic": 0.029853265818728162,
"volume": 401.9660720828712,
"volume_molar": 20.172468890227975,
"formula_full": "Te4 Mo1 W3 Se4",
"formula_reduced": "Te4MoW3Se4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.941085036111112,
"spacegroup": 156
},
{
"id": "jvasp-29030",
"created_at": "2022-09-04T14:36:51.791770Z",
"updated_at": "2022-09-04T14:36:51.791789Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.503249 -0.000000 0.000000\n-1.751624 3.033902 -0.000020\n0.000001 -0.000232 37.816482\nTe Mo W Se\n6 2 2 2\ndirect\n0.333336 0.666671 0.331604 Te\n0.666630 0.333258 0.043954 Te\n0.666663 0.333324 0.424985 Te\n0.666643 0.333285 0.140986 Te\n0.666662 0.333322 0.522050 Te\n0.333325 0.666649 0.234078 Te\n0.333303 0.666604 0.092428 Mo\n0.333329 0.666656 0.473523 Mo\n0.666664 0.333327 0.282837 W\n0.666707 0.333413 0.654129 W\n0.333375 0.666750 0.696986 Se\n0.333370 0.666740 0.611190 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.1271709302855415,
"density_atomic": 0.029855721187402765,
"volume": 401.93301393313,
"volume_molar": 20.17080988330292,
"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.306973761111112,
"spacegroup": 156
},
{
"id": "jvasp-95213",
"created_at": "2022-09-04T14:36:06.356538Z",
"updated_at": "2022-09-04T14:36:06.356564Z",
"structure_string": "H24 C4 N8 O12\n1.0\n6.553900 -0.000000 0.000000\n0.000000 4.800059 0.000000\n0.000000 0.000000 12.776190\nH C N O\n24 4 8 12\ndirect\n0.642706 0.193355 0.744916 H\n0.690444 0.256878 0.046556 H\n0.809556 0.743122 0.046556 H\n0.309556 0.756879 0.453444 H\n0.809556 0.756879 0.546556 H\n0.309556 0.743122 0.953444 H\n0.190444 0.256878 0.953444 H\n0.690444 0.243122 0.546556 H\n0.053107 0.330838 0.134846 H\n0.553107 0.169162 0.365154 H\n0.946894 0.830838 0.365154 H\n0.446894 0.669162 0.134846 H\n0.190444 0.243122 0.453444 H\n0.446894 0.830838 0.634846 H\n0.946894 0.669162 0.865154 H\n0.357294 0.693355 0.755084 H\n0.857294 0.806645 0.744916 H\n0.357294 0.806645 0.255084 H\n0.142706 0.306645 0.755084 H\n0.642706 0.306645 0.244916 H\n0.142706 0.193355 0.255084 H\n0.553107 0.330838 0.865154 H\n0.053107 0.169162 0.634846 H\n0.857294 0.693355 0.244916 H\n0.750000 0.000000 0.878653 C\n0.250000 0.500000 0.621347 C\n0.250000 0.000000 0.121347 C\n0.750000 0.500000 0.378653 C\n0.139082 0.187620 0.174753 N\n0.639082 0.312380 0.325247 N\n0.860918 0.687620 0.325247 N\n0.360918 0.812380 0.174753 N\n0.360918 0.687620 0.674753 N\n0.139082 0.312380 0.674753 N\n0.639082 0.187620 0.825247 N\n0.860918 0.812380 0.825247 N\n0.250000 0.000000 0.020850 O\n0.656415 0.084476 0.597832 O\n0.156415 0.415525 0.902168 O\n0.343585 0.584476 0.902168 O\n0.843585 0.915525 0.597832 O\n0.343585 0.915525 0.402168 O\n0.843585 0.584476 0.097832 O\n0.656415 0.415525 0.097832 O\n0.156415 0.084476 0.402168 O\n0.750000 0.000000 0.979150 O\n0.250000 0.500000 0.520850 O\n0.750000 0.500000 0.479150 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5545768922719223,
"density_atomic": 0.11942451589623812,
"volume": 401.9275241752268,
"volume_molar": 5.042633595628163,
"formula_full": "H24 C4 N8 O12",
"formula_reduced": "H6CN2O3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.922233083333333,
"spacegroup": 60
},
{
"id": "jvasp-40488",
"created_at": "2022-09-04T14:38:34.981894Z",
"updated_at": "2022-09-04T14:38:34.981919Z",
"structure_string": "Nb6 Ge2 S12\n1.0\n2.918505 -5.054999 0.000000\n2.918505 5.054999 -0.000000\n0.000000 -0.000000 13.620897\nNb Ge S\n6 2 12\ndirect\n0.333332 0.666666 0.500000 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333332 0.666666 0.000000 Nb\n0.666666 0.333332 0.000000 Nb\n0.666666 0.333332 0.500000 Nb\n0.000000 0.000000 0.249993 Ge\n0.000000 0.000000 0.750007 Ge\n-0.000000 0.335685 0.615897 S\n-0.000000 0.335685 0.384103 S\n0.335685 -0.000000 0.615897 S\n0.335685 -0.000000 0.384103 S\n0.664312 -0.000001 0.115897 S\n0.335687 0.335687 0.115897 S\n0.664314 0.664314 0.615897 S\n0.664314 0.664314 0.384103 S\n-0.000001 0.664312 0.884103 S\n0.335687 0.335687 0.884103 S\n0.664312 -0.000001 0.884103 S\n-0.000001 0.664312 0.115897 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Ge",
"S"
],
"chemical_system": "Ge-Nb-S",
"density": 4.4932486862149315,
"density_atomic": 0.04976371285372957,
"volume": 401.8992726444263,
"volume_molar": 12.101469956031764,
"formula_full": "Nb6 Ge2 S12",
"formula_reduced": "Nb3GeS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.325476415,
"spacegroup": 193
},
{
"id": "jvasp-100882",
"created_at": "2022-09-04T14:36:38.732524Z",
"updated_at": "2022-09-04T14:36:38.732548Z",
"structure_string": "K2 Tl1 Sb1 Br6\n1.0\n7.173564 -0.000000 4.141659\n2.391188 6.763301 4.141659\n-0.000000 -0.000000 8.283318\nK Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761006 0.238993 0.238994 Br\n0.238993 0.238993 0.761007 Br\n0.238994 0.761006 0.761007 Br\n0.238994 0.761006 0.238994 Br\n0.761006 0.238993 0.761007 Br\n0.761006 0.761006 0.238994 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Sb",
"Br"
],
"chemical_system": "Br-K-Sb-Tl",
"density": 3.6516347155231017,
"density_atomic": 0.024882956034504446,
"volume": 401.88151223404896,
"volume_molar": 24.20187035515105,
"formula_full": "K2 Tl1 Sb1 Br6",
"formula_reduced": "K2TlSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}