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=formula_anonymous&page=1296",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1294",
"results": [
{
"id": "jvasp-47042",
"created_at": "2022-09-04T14:38:05.235780Z",
"updated_at": "2022-09-04T14:38:05.235789Z",
"structure_string": "Li4 Ni6 O2 F12\n1.0\n5.936987 -0.012280 -0.015637\n1.226637 6.397921 -0.008743\n2.758430 2.635522 6.819575\nLi Ni O F\n4 6 2 12\ndirect\n0.316242 0.855821 0.468467 Li\n0.126164 0.301043 0.069490 Li\n0.873837 0.698957 0.930510 Li\n0.683759 0.144179 0.531532 Li\n0.781474 0.569613 0.655451 Ni\n0.925483 0.837172 0.220107 Ni\n0.352382 0.726055 0.931193 Ni\n0.647620 0.273945 0.068806 Ni\n0.074519 0.162828 0.779892 Ni\n0.218528 0.430386 0.344548 Ni\n0.068615 0.584993 0.136261 O\n0.931386 0.415006 0.863738 O\n0.539663 0.562959 0.133972 F\n0.095640 0.705700 0.436821 F\n0.460338 0.437041 0.866028 F\n0.626712 0.719543 0.438502 F\n0.771672 0.986783 0.000596 F\n0.173145 0.863522 0.727654 F\n0.323319 0.153458 0.269960 F\n0.676682 0.846542 0.730039 F\n0.826856 0.136478 0.272346 F\n0.228329 0.013217 0.999404 F\n0.373290 0.280457 0.561497 F\n0.904361 0.294300 0.563179 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.094702615566464,
"density_atomic": 0.09248465038524,
"volume": 259.5025217701451,
"volume_molar": 6.511502973644909,
"formula_full": "Li4 Ni6 O2 F12",
"formula_reduced": "Li2Ni3OF6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 0.4472335329166667,
"spacegroup": 2
},
{
"id": "jvasp-46911",
"created_at": "2022-09-04T14:38:10.057374Z",
"updated_at": "2022-09-04T14:38:10.057390Z",
"structure_string": "Li3 Co2 Ni1 O6\n1.0\n-2.841531 0.010637 -0.007600\n-0.021688 -5.687742 0.053946\n1.409553 1.423125 6.116372\nLi Co Ni O\n3 2 1 6\ndirect\n0.000351 0.507226 0.003644 Li\n0.332376 0.168809 0.667590 Li\n0.664436 0.830408 0.331599 Li\n0.000612 0.002484 0.004012 Co\n0.664181 0.335109 0.331186 Co\n0.332398 0.668794 0.667600 Ni\n0.499593 0.774668 0.001941 O\n0.820852 0.428614 0.644589 O\n0.158322 0.102468 0.319458 O\n0.843937 0.908982 0.690607 O\n0.165200 0.562922 0.333258 O\n0.506472 0.235118 0.015742 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.920296614401341,
"density_atomic": 0.12119763015140672,
"volume": 99.0118369889654,
"volume_molar": 4.968860160447702,
"formula_full": "Li3 Co2 Ni1 O6",
"formula_reduced": "Li3Co2NiO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.3222296,
"spacegroup": 12
},
{
"id": "jvasp-44442",
"created_at": "2022-09-04T14:38:05.947193Z",
"updated_at": "2022-09-04T14:38:05.947221Z",
"structure_string": "Li6 Al4 Fe2 O12\n1.0\n5.308021 0.000691 0.024174\n-0.022888 5.783076 0.002908\n-1.120111 -0.106198 7.695421\nLi Al Fe O\n6 4 2 12\ndirect\n0.177718 0.842532 0.094142 Li\n0.346782 0.663161 0.419826 Li\n0.502309 0.833268 0.744375 Li\n0.497691 0.166732 0.255625 Li\n0.653218 0.336839 0.580174 Li\n0.822281 0.157468 0.905858 Li\n0.176089 0.167651 0.588161 Al\n0.657533 0.672544 0.078323 Al\n0.342467 0.327456 0.921677 Al\n0.823910 0.832350 0.411839 Al\n0.007644 0.330065 0.246406 Fe\n0.992355 0.669935 0.753594 Fe\n0.827542 0.816258 0.924841 O\n0.976011 0.666595 0.251333 O\n0.172458 0.183742 0.075159 O\n0.145547 0.850599 0.578904 O\n0.311700 0.323745 0.424702 O\n0.529851 0.829600 0.247068 O\n0.343228 0.644698 0.921861 O\n0.656771 0.355302 0.078139 O\n0.470148 0.170400 0.752932 O\n0.688299 0.676256 0.575298 O\n0.854453 0.149401 0.421096 O\n0.023988 0.333405 0.748667 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.1840260030653877,
"density_atomic": 0.1015304217343314,
"volume": 236.3823530921537,
"volume_molar": 5.931365847920712,
"formula_full": "Li6 Al4 Fe2 O12",
"formula_reduced": "Li3Al2FeO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.164668508333333,
"spacegroup": 2
},
{
"id": "jvasp-44355",
"created_at": "2022-09-04T14:38:06.344895Z",
"updated_at": "2022-09-04T14:38:06.344922Z",
"structure_string": "Li6 Mn2 Al4 O12\n1.0\n5.245438 0.006461 -0.023450\n-0.063217 -5.849733 -0.018561\n-1.383712 -0.017504 -7.642574\nLi Mn Al O\n6 2 4 12\ndirect\n0.164753 0.835406 0.082481 Li\n-0.002565 0.660380 0.756978 Li\n0.328914 0.654203 0.401113 Li\n0.671087 0.345796 0.598887 Li\n0.002565 0.339619 0.243022 Li\n0.835247 0.164593 0.917519 Li\n0.504860 0.829136 0.738988 Mn\n0.495140 0.170863 0.261011 Mn\n0.328485 0.332700 0.915239 Al\n0.159259 0.176193 0.582383 Al\n0.840741 0.823806 0.417617 Al\n0.671515 0.667299 0.084761 Al\n0.474665 0.170057 0.757607 O\n0.171152 0.860133 0.577592 O\n0.525335 0.829942 0.242392 O\n0.801330 0.822131 0.914391 O\n0.679475 0.680196 0.573675 O\n0.975458 0.677036 0.251463 O\n0.345720 0.647377 0.921256 O\n0.654280 0.352622 0.078743 O\n0.024542 0.322963 0.748536 O\n0.320525 0.319803 0.426325 O\n0.198670 0.177868 0.085608 O\n0.828848 0.139866 0.422407 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.194110796244719,
"density_atomic": 0.10226124574153787,
"volume": 234.69301421047868,
"volume_molar": 5.888976529017428,
"formula_full": "Li6 Mn2 Al4 O12",
"formula_reduced": "Li3MnAl2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.2387278201149425,
"spacegroup": 2
},
{
"id": "jvasp-28628",
"created_at": "2022-09-04T14:38:05.026791Z",
"updated_at": "2022-09-04T14:38:05.026829Z",
"structure_string": "Mo1 W3 Se6 S2\n1.0\n3.293261 0.000000 0.000000\n-1.646631 2.852055 -0.000010\n0.000000 -0.000118 35.053201\nMo W Se S\n1 3 6 2\ndirect\n0.333316 0.666632 0.096796 Mo\n0.333316 0.666633 0.468719 W\n0.666689 0.333378 0.279177 W\n0.666680 0.333361 0.658224 W\n0.333357 0.666716 0.327536 Se\n0.333346 0.666695 0.706529 Se\n0.666647 0.333294 0.420360 Se\n0.666654 0.333307 0.517077 Se\n0.333351 0.666705 0.230823 Se\n0.333346 0.666692 0.609858 Se\n0.666649 0.333297 0.053043 S\n0.666650 0.333300 0.140605 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.978386256881246,
"density_atomic": 0.03644764861250784,
"volume": 329.2393462079726,
"volume_molar": 16.522714054956527,
"formula_full": "Mo1 W3 Se6 S2",
"formula_reduced": "MoW3(Se3S)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.208982175,
"spacegroup": 156
},
{
"id": "jvasp-28761",
"created_at": "2022-09-04T14:38:16.345862Z",
"updated_at": "2022-09-04T14:38:16.345894Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.225722 -0.000001 0.000000\n-1.612862 2.793461 0.002588\n-0.000001 -0.024961 25.322881\nMo W Se S\n3 1 2 6\ndirect\n0.333090 0.666179 0.005563 Mo\n0.333844 0.667686 0.495914 Mo\n0.666609 0.333220 0.250762 Mo\n0.666460 0.332921 0.750677 W\n0.333133 0.666266 0.818646 Se\n0.333110 0.666220 0.682709 Se\n0.333289 0.666582 0.312197 S\n0.666410 0.332820 -0.055895 S\n0.667169 0.334339 0.434484 S\n0.666443 0.332885 0.066995 S\n0.667191 0.334379 0.557370 S\n0.333252 0.666506 0.189327 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.981664944448548,
"density_atomic": 0.05258940587185711,
"volume": 228.18284027090948,
"volume_molar": 11.451243192733445,
"formula_full": "Mo3 W1 Se2 S6",
"formula_reduced": "Mo3W(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.000623702777778,
"spacegroup": 187
},
{
"id": "jvasp-44787",
"created_at": "2022-09-04T14:38:11.286512Z",
"updated_at": "2022-09-04T14:38:11.286528Z",
"structure_string": "Li1 Fe3 O2 F6\n1.0\n-4.913011 0.524666 -0.055888\n0.463589 4.351086 -0.693555\n-0.028788 -0.891450 -5.573652\nLi Fe O F\n1 3 2 6\ndirect\n-0.227652 0.999023 0.656767 Li\n0.272344 0.499082 0.920585 Fe\n0.772326 0.499044 0.156803 Fe\n0.272286 0.499006 0.393038 Fe\n0.444762 0.288305 0.156700 O\n0.099888 0.709786 0.156921 O\n0.947376 0.258216 0.917203 F\n0.947337 0.258170 0.396135 F\n0.433017 0.272942 0.656682 F\n0.597302 0.739943 -0.082507 F\n0.111584 0.725121 0.656941 F\n0.597270 0.739832 0.396432 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.306516232455239,
"density_atomic": 0.09711299220842019,
"volume": 123.5674004797016,
"volume_molar": 6.201168991967121,
"formula_full": "Li1 Fe3 O2 F6",
"formula_reduced": "LiFe3(OF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.3511537662499995,
"spacegroup": 10
},
{
"id": "jvasp-117433",
"created_at": "2022-09-04T14:38:49.880863Z",
"updated_at": "2022-09-04T14:38:49.880885Z",
"structure_string": "Li3 Fe2 Ni1 O6\n1.0\n6.295700 -0.011370 1.453403\n5.664729 2.747146 1.453403\n-0.017642 -0.004035 5.728151\nLi Fe Ni O\n3 2 1 6\ndirect\n0.500000 0.500000 0.499999 Li\n0.165086 0.165086 0.157890 Li\n0.834915 0.834914 0.842109 Li\n0.169824 0.169822 0.661794 Fe\n0.830177 0.830178 0.338205 Fe\n0.499999 0.500001 -0.000000 Ni\n0.669956 0.669955 0.889378 O\n0.328252 0.328251 0.571363 O\n0.330044 0.330045 0.110621 O\n0.986372 0.986374 0.244638 O\n0.013629 0.013626 0.755361 O\n0.671748 0.671748 0.428636 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.792457436362719,
"density_atomic": 0.12058734780326123,
"volume": 99.51292750528066,
"volume_molar": 4.994007140637298,
"formula_full": "Li3 Fe2 Ni1 O6",
"formula_reduced": "Li3Fe2NiO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.344200366666666,
"spacegroup": 12
},
{
"id": "jvasp-116767",
"created_at": "2022-09-04T14:38:50.398427Z",
"updated_at": "2022-09-04T14:38:50.398456Z",
"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.613820 -0.086445 -1.197528\n-0.518882 5.897410 -1.668871\n0.113282 -0.194800 6.598385\nLi Nb V O\n6 2 4 12\ndirect\n0.831218 0.840632 0.321835 Li\n0.335451 0.826033 0.344834 Li\n0.003066 0.490587 0.001007 Li\n0.494494 0.520657 0.985958 Li\n0.163601 0.176080 0.665660 Li\n0.672170 0.146012 0.680703 Li\n0.815010 0.341273 0.343428 Nb\n0.351657 0.325392 0.323236 Nb\n0.473546 0.006005 0.008611 V\n0.142955 0.688569 0.688738 V\n0.023707 0.978096 0.977927 V\n0.693124 0.660661 0.658053 V\n0.073873 0.087893 0.318170 O\n0.758914 0.216784 0.004870 O\n0.243450 0.249128 -0.016350 O\n0.923216 0.417537 0.683016 O\n0.407751 0.449883 0.661796 O\n0.915588 0.922371 0.661200 O\n0.423400 0.893683 0.684624 O\n0.251076 0.744293 0.005465 O\n0.743270 0.772980 0.982040 O\n0.092796 0.578775 0.348497 O\n0.583728 0.604547 0.327150 O\n0.582938 0.062122 0.339519 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.76842446313811,
"density_atomic": 0.11058529222585634,
"volume": 217.02705230441555,
"volume_molar": 5.4456977404378035,
"formula_full": "Li6 Nb2 V4 O12",
"formula_reduced": "Li3NbV2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.9220040666666667,
"spacegroup": 2
},
{
"id": "jvasp-28764",
"created_at": "2022-09-04T14:37:29.504553Z",
"updated_at": "2022-09-04T14:37:29.504585Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223413 0.000000 -0.000003\n-1.611707 2.791569 -0.000004\n-0.000031 -0.000087 34.035989\nMo W Se S\n3 1 2 6\ndirect\n0.333314 0.666639 0.096798 Mo\n0.333331 0.666664 0.468448 Mo\n0.666670 0.333340 0.279222 Mo\n0.666682 0.333357 0.658443 W\n0.666656 0.333319 0.418186 Se\n0.666674 0.333348 0.518710 Se\n0.333330 0.666659 0.324968 S\n0.333346 0.666683 0.704384 S\n0.666643 0.333299 0.051106 S\n0.666654 0.333319 0.142531 S\n0.333339 0.666680 0.233498 S\n0.333347 0.666688 0.612451 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.456586803489408,
"density_atomic": 0.03918127384071884,
"volume": 306.268756058898,
"volume_molar": 15.36994632813989,
"formula_full": "Mo3 W1 Se2 S6",
"formula_reduced": "Mo3W(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.000971202777778,
"spacegroup": 156
},
{
"id": "jvasp-28966",
"created_at": "2022-09-04T14:36:45.367088Z",
"updated_at": "2022-09-04T14:36:45.367118Z",
"structure_string": "Mo1 W3 Se6 S2\n1.0\n3.291708 0.000000 -0.000000\n-1.645854 2.850700 -0.000013\n-0.000000 -0.000182 35.048610\nMo W Se S\n1 3 6 2\ndirect\n0.666662 0.333324 0.279420 Mo\n0.333340 0.666676 0.096663 W\n0.333317 0.666633 0.468634 W\n0.666684 0.333367 0.658207 W\n0.333323 0.666644 0.327517 Se\n0.333354 0.666707 0.706537 Se\n0.666643 0.333284 0.420247 Se\n0.666658 0.333314 0.517013 Se\n0.333337 0.666674 0.231324 Se\n0.333350 0.666700 0.609818 Se\n0.666659 0.333317 0.052688 S\n0.666683 0.333364 0.140681 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.984833655035274,
"density_atomic": 0.03648695562484959,
"volume": 328.88466013391786,
"volume_molar": 16.50491430942678,
"formula_full": "Mo1 W3 Se6 S2",
"formula_reduced": "MoW3(Se3S)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.207734675,
"spacegroup": 156
},
{
"id": "jvasp-22441",
"created_at": "2022-09-04T14:36:45.783922Z",
"updated_at": "2022-09-04T14:36:45.783946Z",
"structure_string": "Na3 Cd2 Ir1 O6\n1.0\n5.658630 0.004056 -0.986250\n-3.069938 4.753482 -0.986250\n-0.025146 -0.046213 5.662627\nNa Cd Ir O\n3 2 1 6\ndirect\n0.500000 0.500001 0.500000 Na\n0.167549 0.832451 0.500000 Na\n0.832451 0.167550 0.500000 Na\n0.332778 0.667221 -0.000000 Cd\n0.667221 0.332779 0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n0.781770 0.781771 0.208372 O\n0.218229 0.218230 0.791629 O\n0.071456 0.362608 0.217865 O\n0.637392 0.928544 0.782135 O\n0.362608 0.071457 0.217866 O\n0.928543 0.637393 0.782135 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Ir",
"O"
],
"chemical_system": "Cd-Ir-Na-O",
"density": 6.3636381121622305,
"density_atomic": 0.07901528758269873,
"volume": 151.8693453775081,
"volume_molar": 7.621488124936741,
"formula_full": "Na3 Cd2 Ir1 O6",
"formula_reduced": "Na3Cd2IrO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.22519905,
"spacegroup": 12
}
]
}