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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=329",
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"results": [
{
"id": "jvasp-117442",
"created_at": "2022-09-04T14:38:26.464878Z",
"updated_at": "2022-09-04T14:38:26.464889Z",
"structure_string": "V6 O10 F6\n1.0\n7.132392 -0.001744 0.082819\n-1.563249 6.958970 0.082819\n0.026052 0.032546 4.937594\nV O F\n6 10 6\ndirect\n0.344938 0.175039 0.283689 V\n0.681613 0.305512 0.773865 V\n0.175039 0.344938 0.783689 V\n0.824592 0.665935 0.203022 V\n0.305511 0.681613 0.273866 V\n0.665934 0.824593 0.703021 V\n0.325141 0.932329 0.367249 O\n0.060351 0.673456 0.130210 O\n0.574520 0.697873 0.402670 O\n0.212436 0.557424 0.579458 O\n0.697872 0.574521 0.902669 O\n0.297281 0.432528 0.091378 O\n0.432527 0.297282 0.591378 O\n0.932328 0.325143 0.867248 O\n0.557424 0.212437 0.079458 O\n0.673455 0.060352 0.630210 O\n0.186537 0.096148 0.957496 F\n0.096147 0.186538 0.457497 F\n0.791474 0.436886 0.417256 F\n0.908793 0.814515 0.541313 F\n0.436885 0.791475 0.917256 F\n0.814514 0.908794 0.041313 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.928248774818745,
"density_atomic": 0.08978817616620374,
"volume": 245.02112571344105,
"volume_molar": 6.707053219181807,
"formula_full": "V6 O10 F6",
"formula_reduced": "V3O5F3",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 2.4740173588636365,
"spacegroup": 9
},
{
"id": "jvasp-9487",
"created_at": "2022-09-04T14:38:27.586209Z",
"updated_at": "2022-09-04T14:38:27.586230Z",
"structure_string": "Ti2 Zn2 Si2 O10\n1.0\n5.429903 -0.032013 0.007963\n-0.698068 5.384952 -0.006256\n-2.128784 -2.390304 6.590331\nTi Zn Si O\n2 2 2 10\ndirect\n0.006505 0.493682 0.506379 Ti\n0.991512 0.508617 0.006400 Ti\n0.822898 0.912522 0.355583 Zn\n0.410447 0.325306 0.855731 Zn\n0.325290 0.137402 0.230899 Si\n0.635331 0.827489 0.730797 Si\n0.272548 0.321893 0.086006 O\n0.135564 0.186960 0.371230 O\n0.684968 0.637967 0.871305 O\n0.820062 0.774928 0.586095 O\n0.324056 0.737585 0.584251 O\n0.696609 0.141287 0.866917 O\n0.639090 0.198920 0.367130 O\n0.235736 0.826055 0.084569 O\n0.069892 0.396490 0.731891 O\n0.894021 0.571918 0.231779 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Ti-Zn",
"density": 3.8174596651642183,
"density_atomic": 0.08308433408136032,
"volume": 192.57541360723917,
"volume_molar": 7.248226547862586,
"formula_full": "Ti2 Zn2 Si2 O10",
"formula_reduced": "TiZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2046381041666665,
"spacegroup": 9
},
{
"id": "jvasp-26749",
"created_at": "2022-09-04T14:38:27.677831Z",
"updated_at": "2022-09-04T14:38:27.677852Z",
"structure_string": "Li2 As2 S4\n1.0\n4.996717 -0.005152 -1.933661\n-0.854949 4.792204 -2.221962\n-0.011052 0.035521 6.524131\nLi As S\n2 2 4\ndirect\n-0.000626 0.762430 0.000615 Li\n0.499405 0.238180 0.000615 Li\n0.686194 0.946291 0.444354 As\n0.186193 0.498062 0.444352 As\n0.524613 0.759770 0.039787 S\n0.024617 0.280017 0.039790 S\n0.283602 0.975856 0.522386 S\n0.783602 0.546530 0.522384 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"As",
"S"
],
"chemical_system": "As-Li-S",
"density": 3.097230196258672,
"density_atomic": 0.05110384009720457,
"volume": 156.54400891954904,
"volume_molar": 11.784125710602748,
"formula_full": "Li2 As2 S4",
"formula_reduced": "LiAsS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5218929375,
"spacegroup": 9
},
{
"id": "jvasp-34447",
"created_at": "2022-09-04T14:38:30.073542Z",
"updated_at": "2022-09-04T14:38:30.073569Z",
"structure_string": "Si4 O8\n1.0\n5.343226 0.029706 -0.598552\n-1.065465 5.236004 -0.598552\n-0.016440 -0.020237 5.485653\nSi O\n4 8\ndirect\n0.954991 0.051856 0.501790 Si\n0.372738 0.527856 0.084583 Si\n0.527857 0.372737 0.584583 Si\n0.051856 0.954989 0.001790 Si\n0.566894 0.484255 0.879934 O\n0.874063 0.898483 0.220142 O\n0.273731 0.787135 0.029130 O\n0.151780 0.265943 0.034892 O\n0.898485 0.874061 0.720142 O\n0.787136 0.273730 0.529130 O\n0.484257 0.566893 0.379934 O\n0.265944 0.151779 0.534892 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.599630295630359,
"density_atomic": 0.07816687339116833,
"volume": 153.51771766472902,
"volume_molar": 7.704210874424471,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4116585333333336,
"spacegroup": 9
},
{
"id": "jvasp-51607",
"created_at": "2022-09-04T14:38:30.557105Z",
"updated_at": "2022-09-04T14:38:30.557116Z",
"structure_string": "In4 Si2 Ag4 Se12\n1.0\n7.126819 0.021202 2.135749\n3.155020 6.390449 2.135749\n0.028468 0.017753 12.781211\nIn Si Ag Se\n4 2 4 12\ndirect\n0.513857 0.319443 0.938877 In\n0.319444 0.513856 0.438877 In\n0.294993 0.173441 0.740553 In\n0.173441 0.294992 0.240553 In\n0.404360 0.934350 0.497898 Si\n0.934351 0.404359 0.997897 Si\n0.801070 0.396638 0.584862 Ag\n0.802800 0.992043 0.247985 Ag\n0.396639 0.801070 0.084862 Ag\n0.992044 0.802799 0.747985 Ag\n0.646191 0.605047 0.912358 Se\n0.046992 0.529052 0.627326 Se\n0.167755 0.649598 0.252555 Se\n0.604220 0.109385 0.453643 Se\n0.824788 0.363986 0.186113 Se\n0.109386 0.604220 0.953643 Se\n0.085270 0.100322 0.444931 Se\n0.649599 0.167755 0.752555 Se\n0.100323 0.085269 0.944931 Se\n0.605048 0.646190 0.412358 Se\n0.529053 0.046992 0.127326 Se\n0.363987 0.824787 0.686113 Se\n",
"nsites": 22,
"nelements": 4,
"elements": [
"In",
"Si",
"Ag",
"Se"
],
"chemical_system": "Ag-In-Se-Si",
"density": 5.417142764406202,
"density_atomic": 0.03788471045690516,
"volume": 580.7092025957429,
"volume_molar": 15.895966175722368,
"formula_full": "In4 Si2 Ag4 Se12",
"formula_reduced": "In2Si(AgSe3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.0589239327272726,
"spacegroup": 9
},
{
"id": "jvasp-57132",
"created_at": "2022-09-04T14:38:30.769460Z",
"updated_at": "2022-09-04T14:38:30.769477Z",
"structure_string": "Ba4 Ti2 O2 F12\n1.0\n6.441905 -0.002509 3.366079\n3.080283 6.565208 1.496959\n-0.009282 -0.013356 7.404776\nBa Ti O F\n4 2 2 12\ndirect\n0.844510 0.823435 0.581446 Ba\n0.498910 0.827115 0.172950 Ba\n0.998911 0.172949 0.827116 Ba\n0.344511 0.581445 0.823436 Ba\n0.911963 0.319440 0.331513 Ti\n0.411963 0.331512 0.319441 Ti\n0.637277 0.393608 0.266159 O\n0.137277 0.266158 0.393609 O\n0.733692 0.601926 0.429411 F\n0.733389 0.237725 0.603771 F\n0.553759 0.055686 0.394288 F\n0.215548 0.847821 0.555742 F\n0.715548 0.555740 0.847822 F\n0.233693 0.429410 0.601927 F\n0.233389 0.603770 0.237726 F\n0.053759 0.394288 0.055687 F\n0.393776 0.930919 0.843709 F\n0.893775 0.843708 0.930921 F\n0.020273 0.048433 0.236705 F\n0.520272 0.236705 0.048434 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"O",
"F"
],
"chemical_system": "Ba-F-O-Ti",
"density": 4.79493838199627,
"density_atomic": 0.06381238338773193,
"volume": 313.41879018179793,
"volume_molar": 9.437260356518465,
"formula_full": "Ba4 Ti2 O2 F12",
"formula_reduced": "Ba2TiOF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1958035468333334,
"spacegroup": 9
},
{
"id": "jvasp-21710",
"created_at": "2022-09-04T14:38:31.164085Z",
"updated_at": "2022-09-04T14:38:31.164114Z",
"structure_string": "Cu4 Sn2 Se6\n1.0\n7.003576 -0.017716 -1.178055\n-1.783974 5.849328 -3.520639\n-0.019661 -0.006332 7.056322\nCu Sn Se\n4 2 6\ndirect\n0.381145 0.383543 0.888099 Cu\n0.881146 0.888100 0.383542 Cu\n0.879677 0.200443 0.037529 Cu\n0.379676 0.037530 0.200443 Cu\n0.896695 0.550617 0.733939 Sn\n0.396695 0.733940 0.550617 Sn\n0.994426 0.582921 0.396075 Se\n0.519679 0.761441 0.235725 Se\n0.018383 0.949051 0.118612 Se\n0.494425 0.396076 0.582920 Se\n0.518383 0.118612 0.949050 Se\n0.019678 0.235726 0.761441 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.555609467657451,
"density_atomic": 0.04158845231442285,
"volume": 288.5416343285852,
"volume_molar": 14.480319475393236,
"formula_full": "Cu4 Sn2 Se6",
"formula_reduced": "Cu2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6462221166666666,
"spacegroup": 9
},
{
"id": "jvasp-53406",
"created_at": "2022-09-04T14:38:31.939420Z",
"updated_at": "2022-09-04T14:38:31.939445Z",
"structure_string": "Li10 Ge2 P6\n1.0\n5.938295 -0.000543 0.000647\n-2.968533 6.489703 -0.023240\n-0.001063 -2.774315 8.120753\nLi Ge P\n10 2 6\ndirect\n0.101569 0.684822 0.424370 Li\n0.258221 0.007573 0.249200 Li\n0.232404 0.992211 0.756826 Li\n0.580421 0.684818 0.924371 Li\n0.445708 0.336692 0.065790 Li\n0.888172 0.336691 0.565789 Li\n0.756971 -0.007781 0.256833 Li\n0.746524 0.007581 0.749206 Li\n0.070184 0.648048 0.909430 Li\n0.575043 0.648045 0.409429 Li\n0.354473 0.334857 0.629749 Ge\n0.977558 0.334856 0.129751 Ge\n0.317451 0.657969 0.160081 P\n0.996169 0.012522 0.004991 P\n0.337695 0.657957 0.660081 P\n0.013536 0.012534 0.504997 P\n0.688322 0.333455 0.304787 P\n0.642295 0.333456 0.804780 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Ge",
"P"
],
"chemical_system": "Ge-Li-P",
"density": 2.127876739499012,
"density_atomic": 0.05758800522549835,
"volume": 312.5650893709044,
"volume_molar": 10.457283138075367,
"formula_full": "Li10 Ge2 P6",
"formula_reduced": "Li5GeP3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.667455827777778,
"spacegroup": 9
},
{
"id": "jvasp-46706",
"created_at": "2022-09-04T14:38:33.502060Z",
"updated_at": "2022-09-04T14:38:33.502087Z",
"structure_string": "Mn2 P2 O8\n1.0\n5.106155 0.180388 0.396534\n2.941714 7.071531 4.489061\n2.663849 -1.220823 4.204296\nMn P O\n2 2 8\ndirect\n0.198797 0.258764 0.286930 Mn\n0.786929 0.758764 0.698797 Mn\n0.161992 0.626223 0.089668 P\n0.589668 0.126223 0.661992 P\n0.038692 0.776706 0.243237 O\n0.203222 0.457358 0.334339 O\n0.274985 0.146694 0.994914 O\n0.509404 0.117299 0.420177 O\n0.494913 0.646693 0.774985 O\n0.743236 0.276706 0.538692 O\n0.920177 0.617299 0.009404 O\n0.834338 0.957359 0.703221 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.9144333499739927,
"density_atomic": 0.07024693737297094,
"volume": 170.82595268583574,
"volume_molar": 8.572816104460024,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.791919456896552,
"spacegroup": 9
},
{
"id": "jvasp-47734",
"created_at": "2022-09-04T14:38:34.100098Z",
"updated_at": "2022-09-04T14:38:34.100119Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n1.727488 4.398083 2.370389\n6.884505 -3.757771 2.370389\n1.727488 4.398083 -2.370389\nLi Co Si O\n2 2 2 8\ndirect\n0.779175 0.131071 0.576222 Li\n-0.054849 0.631071 0.910247 Li\n0.294755 0.492997 0.034480 Co\n0.041483 0.992998 0.787753 Co\n0.431513 0.253394 0.358317 Si\n0.604925 0.753394 0.684905 Si\n0.458024 0.300459 0.056449 O\n0.786448 0.154008 0.220305 O\n0.181851 0.123077 0.500392 O\n0.295517 0.430097 0.663971 O\n0.255991 0.800459 0.758483 O\n0.566297 0.654009 0.940456 O\n0.877316 0.623077 0.304928 O\n0.733874 0.930098 0.725614 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.009359085703707,
"density_atomic": 0.08031252252343796,
"volume": 174.31901726053144,
"volume_molar": 7.4983832791984995,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4456305,
"spacegroup": 9
},
{
"id": "jvasp-116829",
"created_at": "2022-09-04T14:38:33.944667Z",
"updated_at": "2022-09-04T14:38:33.944692Z",
"structure_string": "Li2 Mn4 Si4 O14\n1.0\n4.935080 -0.075019 0.148098\n2.144448 4.445450 -0.148244\n0.150053 -0.242647 12.965278\nLi Mn Si O\n2 4 4 14\ndirect\n0.334408 0.286390 0.910648 Li\n0.713610 0.665591 0.410648 Li\n0.024620 0.964369 0.253144 Mn\n0.035629 -0.024620 0.753144 Mn\n0.070261 0.938626 0.009475 Mn\n0.061375 0.929740 0.509475 Mn\n0.691314 0.629423 0.866478 Si\n0.370577 0.308685 0.366477 Si\n0.704933 0.589243 0.635703 Si\n0.410756 0.295067 0.135703 Si\n0.777125 0.134581 0.126790 O\n0.865420 0.222874 0.626789 O\n0.319598 0.084777 0.444346 O\n0.915222 0.680401 0.944346 O\n0.279330 0.170068 0.043442 O\n0.829932 0.720668 0.543442 O\n0.343208 0.720505 0.640137 O\n0.312541 0.190896 0.248596 O\n0.332957 0.868832 0.875964 O\n0.131168 0.667043 0.375964 O\n0.721251 0.287073 0.863299 O\n0.279494 0.656792 0.140137 O\n0.809103 0.687457 0.748597 O\n0.712927 0.278748 0.363298 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.30725762405314,
"density_atomic": 0.08386482877406432,
"volume": 286.1747928283154,
"volume_molar": 7.1807703515664745,
"formula_full": "Li2 Mn4 Si4 O14",
"formula_reduced": "LiMn2Si2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 3.092092181896551,
"spacegroup": 9
},
{
"id": "jvasp-12889",
"created_at": "2022-09-04T14:38:34.418779Z",
"updated_at": "2022-09-04T14:38:34.418796Z",
"structure_string": "Na8 Sn2 O6\n1.0\n5.501886 -0.021977 1.922908\n1.900626 5.542001 0.664268\n0.002713 -0.010988 8.824778\nNa Sn O\n8 2 6\ndirect\n0.522806 0.252623 0.932284 Na\n0.963490 0.219010 0.086692 Na\n0.600175 0.694113 0.717756 Na\n0.317930 0.194114 0.282244 Na\n0.755028 0.248833 0.507587 Na\n0.262615 0.748833 0.492414 Na\n0.050181 0.719010 0.913309 Na\n0.455090 0.752624 0.067717 Na\n0.864675 0.747823 0.288530 Sn\n0.153204 0.247824 0.711470 Sn\n0.049964 0.971611 0.323540 O\n0.373503 0.471611 0.676461 O\n0.177812 0.511424 0.132439 O\n0.310250 0.011424 0.867562 O\n0.703112 0.962059 0.125061 O\n0.828172 0.462058 0.874940 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sn",
"O"
],
"chemical_system": "Na-O-Sn",
"density": 3.18853173833255,
"density_atomic": 0.05938682980358218,
"volume": 269.4200052927373,
"volume_molar": 10.140532471455057,
"formula_full": "Na8 Sn2 O6",
"formula_reduced": "Na4SnO3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5067097750000001,
"spacegroup": 9
}
]
}