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=-nelements&page=486",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=484",
"results": [
{
"id": "jvasp-44651",
"created_at": "2022-09-04T14:38:05.816051Z",
"updated_at": "2022-09-04T14:38:05.816078Z",
"structure_string": "Mn2 Fe2 P4 O16\n1.0\n0.000000 4.676939 0.036354\n5.647329 0.000000 0.000000\n0.000000 -0.195087 -9.623738\nMn Fe P O\n2 2 4 16\ndirect\n0.567275 0.250000 0.229846 Mn\n0.432725 0.750000 0.770155 Mn\n0.945526 0.250000 0.728145 Fe\n0.054474 0.750000 0.271856 Fe\n0.883362 0.750000 0.584212 P\n0.612822 0.750000 0.091640 P\n0.387177 0.250000 0.908360 P\n0.116638 0.250000 0.415789 P\n0.260646 0.465654 0.339867 O\n0.209659 0.750000 0.607899 O\n0.293886 0.750000 0.115156 O\n0.219682 0.040482 0.832255 O\n0.219682 0.459518 0.832255 O\n0.333794 0.250000 0.064250 O\n0.666206 0.750000 0.935751 O\n0.790341 0.250000 0.392102 O\n0.780318 0.959518 0.167746 O\n0.706114 0.250000 0.884844 O\n0.260646 0.034346 0.339867 O\n0.739353 0.534346 0.660133 O\n0.739353 0.965654 0.660133 O\n0.815510 0.750000 0.428469 O\n0.780318 0.540482 0.167746 O\n0.184490 0.250000 0.571532 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.929792220167712,
"density_atomic": 0.09443458867237116,
"volume": 254.14416833290775,
"volume_molar": 6.377049812641271,
"formula_full": "Mn2 Fe2 P4 O16",
"formula_reduced": "MnFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.1880851451149423,
"spacegroup": 11
},
{
"id": "jvasp-24912",
"created_at": "2022-09-04T14:38:18.315166Z",
"updated_at": "2022-09-04T14:38:18.315183Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n4.910119 -0.014181 -0.420832\n-2.117212 4.430224 -0.420832\n-0.066464 -0.105090 9.513142\nB Cl O F\n2 2 4 8\ndirect\n0.580222 0.433707 0.484840 B\n0.433708 0.580221 0.984840 B\n0.932859 0.074059 0.248537 Cl\n0.074060 0.932857 0.748537 Cl\n0.290042 0.867674 0.681498 O\n0.137044 0.976363 0.189578 O\n0.976364 0.137043 0.689578 O\n0.867675 0.290041 0.181498 O\n0.625024 0.484808 0.638656 F\n0.484809 0.625023 0.138656 F\n0.293249 0.431317 0.437794 F\n0.572997 0.154809 0.436401 F\n0.672457 0.813371 0.937397 F\n0.813372 0.672456 0.437397 F\n0.431318 0.293249 0.937793 F\n0.154810 0.572995 0.936401 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"B",
"Cl",
"O",
"F"
],
"chemical_system": "B-Cl-F-O",
"density": 2.4842530261561158,
"density_atomic": 0.0775878092357046,
"volume": 206.21796333227397,
"volume_molar": 7.761710015171703,
"formula_full": "B2 Cl2 O4 F8",
"formula_reduced": "BCl(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0822455976041665,
"spacegroup": 9
},
{
"id": "jvasp-43386",
"created_at": "2022-09-04T14:38:20.411379Z",
"updated_at": "2022-09-04T14:38:20.411404Z",
"structure_string": "Li2 V1 Cr1 O4\n1.0\n2.905223 0.001050 0.001513\n-0.001901 5.100403 -0.007000\n-0.001589 -1.761671 4.839400\nLi V Cr O\n2 1 1 4\ndirect\n0.499999 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 V\n0.500000 0.500000 -0.000000 Cr\n0.000025 0.272728 0.757705 O\n0.499992 0.729829 0.749800 O\n0.500007 0.270170 0.250200 O\n-0.000025 0.727272 0.242295 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.189191534248517,
"density_atomic": 0.1116172625107043,
"volume": 71.67350121342373,
"volume_molar": 5.395348913365857,
"formula_full": "Li2 V1 Cr1 O4",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.6482757,
"spacegroup": 10
},
{
"id": "jvasp-25831",
"created_at": "2022-09-04T14:38:29.632361Z",
"updated_at": "2022-09-04T14:38:29.632384Z",
"structure_string": "K1 As4 Cl1 O6\n1.0\n2.659766 -4.606850 0.000000\n2.659766 4.606850 0.000000\n0.000000 -0.000000 8.796992\nK As Cl O\n1 4 1 6\ndirect\n0.000000 0.000000 0.500000 K\n0.666668 0.333334 0.794331 As\n0.333334 0.666668 0.794331 As\n0.333334 0.666668 0.205669 As\n0.666668 0.333334 0.205669 As\n0.000000 0.000000 0.000000 Cl\n0.500001 0.500001 0.680968 O\n0.500001 0.500001 0.319032 O\n0.000000 0.500000 0.680968 O\n0.500000 0.000000 0.680968 O\n0.000000 0.500000 0.319032 O\n0.500000 0.000000 0.319032 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-K-O",
"density": 3.6220256591029423,
"density_atomic": 0.055663377104265915,
"volume": 215.5816018406894,
"volume_molar": 10.818856262924223,
"formula_full": "K1 As4 Cl1 O6",
"formula_reduced": "KAs4ClO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 2.211507505625,
"spacegroup": 191
},
{
"id": "jvasp-46719",
"created_at": "2022-09-04T14:38:19.697134Z",
"updated_at": "2022-09-04T14:38:19.697159Z",
"structure_string": "Li4 V2 Si2 O8\n1.0\n0.000000 4.664912 0.006980\n5.800047 0.000000 0.000000\n0.000000 -4.635767 -6.219933\nLi V Si O\n4 2 2 8\ndirect\n0.511059 0.849421 0.998537 Li\n0.770818 0.694056 0.758475 Li\n0.511060 0.150579 0.498538 Li\n0.770818 0.305944 0.258476 Li\n0.278561 0.357455 0.738555 V\n0.278562 0.642546 0.238555 V\n0.991780 0.162980 0.000168 Si\n0.991779 0.837021 0.500168 Si\n0.861013 0.318213 0.781286 O\n0.314773 0.699943 0.720784 O\n0.636615 0.841386 0.499035 O\n0.103974 0.105918 0.501854 O\n0.861013 0.681787 0.281286 O\n0.314773 0.300057 0.220785 O\n0.103975 0.894082 0.001854 O\n0.636616 0.158614 -0.000964 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.0998752740172475,
"density_atomic": 0.0951796049115928,
"volume": 168.10324034084337,
"volume_molar": 6.327133597154182,
"formula_full": "Li4 V2 Si2 O8",
"formula_reduced": "Li2VSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4011321,
"spacegroup": 7
},
{
"id": "jvasp-44753",
"created_at": "2022-09-04T14:38:12.578706Z",
"updated_at": "2022-09-04T14:38:12.578725Z",
"structure_string": "Li5 Mn2 V3 O10\n1.0\n4.948334 0.017368 -0.057490\n-1.036444 4.916303 -0.030476\n-1.810784 -2.492769 7.201900\nLi Mn V O\n5 2 3 10\ndirect\n0.213079 0.928005 0.419593 Li\n0.389379 0.284391 0.766339 Li\n0.500000 0.500000 0.500000 Li\n0.610621 0.715608 0.233661 Li\n0.786922 0.071995 0.580406 Li\n0.108471 0.697505 0.687942 Mn\n0.891530 0.302495 0.312058 Mn\n0.259539 0.080349 0.087301 V\n0.000000 0.500000 -0.000000 V\n0.740461 0.919650 0.912698 V\n0.659568 0.285937 0.055872 O\n0.059744 0.122519 0.846738 O\n0.340432 0.714062 0.944128 O\n0.134728 0.300139 0.536541 O\n0.233343 0.465922 0.233355 O\n0.460350 0.908246 0.671262 O\n0.539651 0.091754 0.328738 O\n0.766658 0.534077 0.766644 O\n0.865273 0.699861 0.463459 O\n0.940256 0.877480 0.153261 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.35763527740829,
"density_atomic": 0.11474559052561961,
"volume": 174.29863673527862,
"volume_molar": 5.248254623479773,
"formula_full": "Li5 Mn2 V3 O10",
"formula_reduced": "Li5Mn2V3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.994666104137931,
"spacegroup": 2
},
{
"id": "jvasp-24307",
"created_at": "2022-09-04T14:38:06.237428Z",
"updated_at": "2022-09-04T14:38:06.237455Z",
"structure_string": "Sb4 Te4 Cl4 O12\n1.0\n5.456733 -0.000000 0.000000\n0.000000 7.135830 0.000000\n0.000000 0.000000 11.307374\nSb Te Cl O\n4 4 4 12\ndirect\n0.250000 0.920119 0.752803 Sb\n0.750000 0.079881 0.247197 Sb\n0.750000 0.420119 0.747197 Sb\n0.250000 0.579881 0.252803 Sb\n0.750000 0.826595 0.933329 Te\n0.750000 0.673405 0.433330 Te\n0.250000 0.173405 0.066670 Te\n0.250000 0.326595 0.566670 Te\n0.250000 0.600363 0.926080 Cl\n0.750000 0.399637 0.073920 Cl\n0.750000 0.100363 0.573919 Cl\n0.250000 0.899637 0.426080 Cl\n0.002342 0.499541 0.623365 O\n0.997657 0.999541 0.876635 O\n0.002342 0.000459 0.123365 O\n0.750000 0.797379 0.281809 O\n0.497658 0.499541 0.623365 O\n0.997657 0.500459 0.376635 O\n0.502342 0.500459 0.376635 O\n0.750000 0.702621 0.781808 O\n0.497658 0.000459 0.123365 O\n0.502342 0.999541 0.876635 O\n0.250000 0.202621 0.718191 O\n0.250000 0.297379 0.218191 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb-Te",
"density": 5.02074385746874,
"density_atomic": 0.054509510929976364,
"volume": 440.29013635493294,
"volume_molar": 11.047871568204165,
"formula_full": "Sb4 Te4 Cl4 O12",
"formula_reduced": "SbTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6218114056944448,
"spacegroup": 62
},
{
"id": "jvasp-43381",
"created_at": "2022-09-04T14:38:12.497209Z",
"updated_at": "2022-09-04T14:38:12.497233Z",
"structure_string": "Li4 Ti6 Nb2 O16\n1.0\n5.945757 -0.000015 0.000004\n-2.972892 5.149200 -0.000007\n-0.000039 0.000068 9.769822\nLi Ti Nb O\n4 6 2 16\ndirect\n0.333348 0.666686 0.902984 Li\n0.000027 0.000020 0.994044 Li\n-0.000026 0.999994 0.494043 Li\n0.666652 0.333338 0.402984 Li\n0.169574 0.339163 0.216490 Ti\n0.169575 0.830432 0.216492 Ti\n0.830426 0.660857 0.716491 Ti\n0.339154 0.169591 0.716484 Ti\n0.660846 0.830435 0.216484 Ti\n0.830426 0.169589 0.716489 Ti\n0.333328 0.666674 0.486367 Nb\n0.666672 0.333346 0.986367 Nb\n0.325864 0.162942 0.096312 O\n0.837074 0.674160 0.096305 O\n0.666673 0.333349 0.605944 O\n0.515397 0.030809 0.837896 O\n0.515397 0.484610 0.837896 O\n0.674136 0.837078 0.596312 O\n0.484603 0.515412 0.337896 O\n0.030785 0.515402 0.337894 O\n0.162924 0.325857 0.596303 O\n0.000003 0.000013 0.812504 O\n-0.000003 0.000009 0.312504 O\n0.333327 0.666676 0.105944 O\n0.969215 0.484616 0.837895 O\n0.162927 0.837088 0.596305 O\n0.484604 0.969214 0.337896 O\n0.837077 0.162932 0.096302 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Ti",
"density": 4.201260275597622,
"density_atomic": 0.09361061452584578,
"volume": 299.1113790014618,
"volume_molar": 6.433181525944683,
"formula_full": "Li4 Ti6 Nb2 O16",
"formula_reduced": "Li2Ti3NbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1175687428571432,
"spacegroup": 186
},
{
"id": "jvasp-28823",
"created_at": "2022-09-04T14:38:06.854465Z",
"updated_at": "2022-09-04T14:38:06.854486Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n3.311797 0.000000 -0.000000\n-1.655898 2.868097 -0.000035\n-0.000002 -0.000442 34.786901\nTe W Se S\n2 4 2 4\ndirect\n0.333330 0.666660 0.715962 Te\n0.333354 0.666710 0.605310 Te\n0.333321 0.666642 0.097330 W\n0.333324 0.666648 0.463653 W\n0.666682 0.333364 0.281281 W\n0.666674 0.333348 0.660667 W\n0.666642 0.333285 0.415173 Se\n0.666670 0.333340 0.512139 Se\n0.333363 0.666730 0.325465 S\n0.666641 0.333281 0.053138 S\n0.666668 0.333335 0.141565 S\n0.333333 0.666667 0.237062 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.416205683420124,
"density_atomic": 0.036316832354923535,
"volume": 330.42529377904674,
"volume_molar": 16.5822302483481,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.988698522222222,
"spacegroup": 156
},
{
"id": "jvasp-25908",
"created_at": "2022-09-04T14:38:30.257124Z",
"updated_at": "2022-09-04T14:38:30.257155Z",
"structure_string": "Na6 Sb6 As4 O28\n1.0\n0.000000 6.528426 0.017275\n7.349502 0.000000 0.000000\n0.000000 -3.762415 -12.083091\nNa Sb As O\n6 6 4 28\ndirect\n0.000000 0.000000 0.000000 Na\n0.538157 0.713288 0.433280 Na\n0.461844 0.286712 0.566719 Na\n0.538157 0.786712 0.933280 Na\n0.000000 0.500000 0.500000 Na\n0.461844 0.213288 0.066719 Na\n0.022871 0.240793 0.252497 Sb\n0.022871 0.259206 0.752497 Sb\n0.977130 0.759206 0.747503 Sb\n0.977130 0.740793 0.247503 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.582486 0.235649 0.338006 As\n0.582487 0.264351 0.838006 As\n0.417515 0.764351 0.661993 As\n0.417514 0.735649 0.161993 As\n0.074724 0.005753 0.803215 O\n0.038589 0.705526 0.907319 O\n0.925278 0.505753 0.696784 O\n0.961412 0.294473 0.092680 O\n0.294986 0.719813 0.763344 O\n0.105026 0.310345 0.916125 O\n0.705015 0.219813 0.736655 O\n0.608229 0.404138 0.429631 O\n0.894975 0.689655 0.083875 O\n0.074723 0.494247 0.303215 O\n0.961413 0.205526 0.592680 O\n0.682260 0.470468 0.904301 O\n0.391772 0.904138 0.070369 O\n0.038589 0.794473 0.407319 O\n0.671673 0.686809 0.248402 O\n0.328328 0.313190 0.751597 O\n0.894975 0.810344 0.583875 O\n0.391772 0.595862 0.570369 O\n0.682259 0.029532 0.404301 O\n0.317742 0.970468 0.595698 O\n0.105026 0.189655 0.416125 O\n0.671674 0.813190 0.748402 O\n0.608229 0.095862 0.929631 O\n0.705015 0.280186 0.236655 O\n0.317742 0.529532 0.095698 O\n0.925277 0.994246 0.196784 O\n0.294986 0.780186 0.263344 O\n0.328327 0.186810 0.251597 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Na",
"Sb",
"As",
"O"
],
"chemical_system": "As-Na-O-Sb",
"density": 4.632860216683636,
"density_atomic": 0.07595672206334864,
"volume": 579.2772358357379,
"volume_molar": 7.928384211969386,
"formula_full": "Na6 Sb6 As4 O28",
"formula_reduced": "Na3Sb3(AsO7)2",
"formula_anonymous": "A2B3C3D14",
"energy_above_hull": 2.3011667181818183,
"spacegroup": 14
},
{
"id": "jvasp-38268",
"created_at": "2022-09-04T14:38:19.938159Z",
"updated_at": "2022-09-04T14:38:19.938168Z",
"structure_string": "Rb4 Mg4 P4 O16\n1.0\n5.448183 0.000000 0.000000\n0.000000 8.753418 0.000000\n0.000000 0.000000 9.357220\nRb Mg P O\n4 4 4 16\ndirect\n0.230720 0.497481 0.220649 Rb\n0.230720 0.997481 0.279351 Rb\n0.730720 0.002520 0.720649 Rb\n0.730720 0.502520 0.779351 Rb\n0.246522 0.310757 0.580260 Mg\n0.246522 0.810757 0.919740 Mg\n0.746522 0.189243 0.080260 Mg\n0.746522 0.689243 0.419740 Mg\n0.746231 0.294770 0.417377 P\n0.746231 0.794770 0.082623 P\n0.246231 0.205230 0.917377 P\n0.246231 0.705230 0.582623 P\n0.848712 0.243558 0.270825 O\n0.848712 0.743558 0.229175 O\n0.735631 0.470361 0.421952 O\n0.735631 0.970361 0.078048 O\n0.484316 0.229499 0.442242 O\n0.484316 0.729499 0.057758 O\n0.420066 0.765427 0.463558 O\n0.984316 0.270501 0.942242 O\n0.348712 0.256442 0.770825 O\n0.348712 0.756442 0.729175 O\n0.235632 0.029640 0.921952 O\n0.235632 0.529640 0.578048 O\n0.920066 0.234573 0.536442 O\n0.984316 0.770501 0.557758 O\n0.420066 0.265427 0.036442 O\n0.920066 0.734574 0.963558 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-O-P-Rb",
"density": 3.04750496053249,
"density_atomic": 0.06274539193858428,
"volume": 446.24790976533603,
"volume_molar": 9.597741880223687,
"formula_full": "Rb4 Mg4 P4 O16",
"formula_reduced": "RbMgPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.3845426500000002,
"spacegroup": 33
},
{
"id": "jvasp-46517",
"created_at": "2022-09-04T14:38:29.940446Z",
"updated_at": "2022-09-04T14:38:29.940474Z",
"structure_string": "Li3 Al2 V1 O6\n1.0\n2.490928 4.312284 0.013878\n-2.490928 4.312284 -0.013878\n-1.692513 0.000000 4.748198\nLi Al V O\n3 2 1 6\ndirect\n0.167951 0.167951 0.500000 Li\n0.500000 0.499999 0.500000 Li\n0.832048 0.832048 0.500000 Li\n0.333466 0.333466 0.000000 Al\n0.666533 0.666533 -0.000000 Al\n0.000000 0.000000 0.000000 V\n0.273990 0.726009 0.778796 O\n0.420678 0.926545 0.219272 O\n0.073454 0.579321 0.219272 O\n0.926545 0.420677 0.780728 O\n0.579322 0.073454 0.780728 O\n0.726010 0.273990 0.221205 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Al",
"V",
"O"
],
"chemical_system": "Al-Li-O-V",
"density": 3.602241113984046,
"density_atomic": 0.11740653395081443,
"volume": 102.2089622799631,
"volume_molar": 5.129306314862236,
"formula_full": "Li3 Al2 V1 O6",
"formula_reduced": "Li3Al2VO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.238832566666667,
"spacegroup": 12
}
]
}