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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4035",
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"results": [
{
"id": "jvasp-48591",
"created_at": "2022-09-04T14:37:03.122591Z",
"updated_at": "2022-09-04T14:37:03.122616Z",
"structure_string": "Li4 Ni4 O4 F8\n1.0\n0.000000 4.887302 0.008049\n4.845479 0.000000 0.000000\n0.000000 -4.636660 -8.204209\nLi Ni O F\n4 4 4 8\ndirect\n0.274503 0.969077 0.242251 Li\n0.725497 0.469077 0.257749 Li\n0.274503 0.530923 0.742251 Li\n0.725497 0.030923 0.757749 Li\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.935726 0.107180 0.037944 O\n0.064274 0.607180 0.462056 O\n0.935726 0.392820 0.537944 O\n0.064274 0.892820 0.962056 O\n0.638449 0.410694 0.741220 F\n0.733028 0.857970 0.587799 F\n0.266972 0.357970 0.912201 F\n0.361550 0.910694 0.758780 F\n0.638449 0.089306 0.241220 F\n0.733028 0.642031 0.087799 F\n0.266972 0.142031 0.412201 F\n0.361550 0.589306 0.258780 F\n",
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{
"id": "jvasp-19100",
"created_at": "2022-09-04T14:37:03.321965Z",
"updated_at": "2022-09-04T14:37:03.321994Z",
"structure_string": "Rb8 C4 O12\n1.0\n0.000000 5.899613 0.162286\n10.220514 0.000000 0.000000\n0.000000 -0.964407 -7.065241\nRb C O\n8 4 12\ndirect\n0.265146 0.265166 0.030433 Rb\n0.734853 0.765166 0.469566 Rb\n0.734853 0.734834 0.969566 Rb\n0.265146 0.234834 0.530433 Rb\n0.240624 0.918050 0.208327 Rb\n0.759375 0.418051 0.291672 Rb\n0.759375 0.081949 0.791672 Rb\n0.240624 0.581949 0.708327 Rb\n0.754498 0.417373 0.749097 C\n0.754498 0.082627 0.249097 C\n0.245501 0.582627 0.250902 C\n0.245501 0.917373 0.750902 C\n0.735140 0.538003 0.688930 O\n0.068362 0.848487 0.779839 O\n0.931637 0.348487 0.720160 O\n0.931637 0.151513 0.220160 O\n0.068362 0.651512 0.279839 O\n0.402662 0.865907 0.665228 O\n0.402663 0.634093 0.165228 O\n0.597336 0.134093 0.334771 O\n0.597336 0.365907 0.834771 O\n0.264859 0.461997 0.311070 O\n0.735140 0.961996 0.188930 O\n0.264859 0.038003 0.811070 O\n",
"nsites": 24,
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],
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"density_atomic": 0.05654858905595863,
"volume": 424.4137723091621,
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"formula_full": "Rb8 C4 O12",
"formula_reduced": "Rb2CO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 14
},
{
"id": "jvasp-50619",
"created_at": "2022-09-04T14:37:03.454838Z",
"updated_at": "2022-09-04T14:37:03.454849Z",
"structure_string": "Li4 Fe4 S6\n1.0\n0.000000 6.071346 0.045892\n6.170311 0.000000 0.000000\n0.000000 -3.021808 -6.601425\nLi Fe S\n4 4 6\ndirect\n0.765607 0.395074 0.358744 Li\n0.734394 0.895074 0.641256 Li\n0.265606 0.104926 0.358744 Li\n0.234393 0.604926 0.641255 Li\n0.147742 0.640178 0.021732 Fe\n0.647743 0.859821 0.021732 Fe\n0.352258 0.140178 0.978268 Fe\n0.852258 0.359822 0.978268 Fe\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n0.638991 0.020014 0.303199 S\n0.861010 0.520014 0.696801 S\n0.138990 0.479986 0.303198 S\n0.361009 0.979986 0.696801 S\n",
"nsites": 14,
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"elements": [
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"S"
],
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"density": 2.9884883382746983,
"density_atomic": 0.05680722653618302,
"volume": 246.44751827626695,
"volume_molar": 10.60101175008823,
"formula_full": "Li4 Fe4 S6",
"formula_reduced": "Li2Fe2S3",
"formula_anonymous": "A2B2C3",
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"spacegroup": 14
},
{
"id": "jvasp-32735",
"created_at": "2022-09-04T14:37:03.818157Z",
"updated_at": "2022-09-04T14:37:03.818183Z",
"structure_string": "In4 I12\n1.0\n6.041749 0.000000 0.000000\n0.000000 9.404530 -2.982460\n0.000000 0.002737 12.175128\nIn I\n4 12\ndirect\n0.001879 0.790684 0.948629 In\n-0.001879 0.209316 0.051371 In\n0.498121 0.790684 0.448629 In\n0.501879 0.209317 0.551371 In\n0.783686 0.337455 0.723353 I\n0.255579 0.000614 0.624961 I\n0.776261 0.658069 0.555994 I\n0.283686 0.662545 0.776647 I\n0.716314 0.337455 0.223353 I\n0.744421 -0.000614 0.375039 I\n0.276261 0.341932 0.944007 I\n0.755579 -0.000613 0.875039 I\n0.723739 0.658069 0.055994 I\n0.216314 0.662545 0.276647 I\n0.223739 0.341931 0.444006 I\n0.244421 0.000614 0.124961 I\n",
"nsites": 16,
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"elements": [
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"density": 4.757469422376296,
"density_atomic": 0.023126808880064194,
"volume": 691.8377750677199,
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"formula_full": "In4 I12",
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"formula_anonymous": "AB3",
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"spacegroup": 14
},
{
"id": "jvasp-21191",
"created_at": "2022-09-04T14:37:04.106652Z",
"updated_at": "2022-09-04T14:37:04.106668Z",
"structure_string": "Ca4 Ni2 Ir2 O12\n1.0\n0.000000 5.309356 -0.000714\n5.551116 0.000000 0.000000\n0.000000 -5.287080 -7.562026\nCa Ni Ir O\n4 2 2 12\ndirect\n0.231723 0.936248 0.249009 Ca\n0.768277 0.436247 0.250991 Ca\n0.231724 0.563753 0.749009 Ca\n0.768277 0.063753 0.750991 Ca\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.145206 0.799158 0.950023 O\n0.255261 0.300527 0.949863 O\n0.854795 0.299157 0.549977 O\n0.653615 0.029393 0.252602 O\n0.346386 0.970608 0.747398 O\n0.854795 0.200843 0.049977 O\n0.744740 0.699474 0.050137 O\n0.255261 0.199474 0.449863 O\n0.744740 0.800527 0.550137 O\n0.653615 0.470608 0.752603 O\n0.145205 0.700844 0.450022 O\n0.346385 0.529393 0.247397 O\n",
"nsites": 20,
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"elements": [
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"Ni",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-Ni-O",
"density": 6.36311378219761,
"density_atomic": 0.08972817787344721,
"volume": 222.89542119319572,
"volume_molar": 6.711538005924558,
"formula_full": "Ca4 Ni2 Ir2 O12",
"formula_reduced": "Ca2NiIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.116672534,
"spacegroup": 14
},
{
"id": "jvasp-49183",
"created_at": "2022-09-04T14:37:04.382625Z",
"updated_at": "2022-09-04T14:37:04.382648Z",
"structure_string": "Cd6 Te2 O12\n1.0\n0.000000 5.574690 0.000425\n5.708141 0.000000 0.000000\n0.000000 -5.553536 -8.155908\nCd Te O\n6 2 12\ndirect\n0.751567 0.455632 0.741304 Cd\n0.248432 0.955632 0.758697 Cd\n0.248433 0.544367 0.258697 Cd\n0.751568 0.044367 0.241304 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.658401 0.424327 0.277489 O\n0.341599 0.924327 0.222512 O\n0.758651 0.824481 0.049879 O\n0.241350 0.324481 0.450121 O\n0.241350 0.175519 0.950121 O\n0.915885 0.280741 0.081615 O\n0.084115 0.719259 0.918386 O\n0.915885 0.219259 0.581615 O\n0.658401 0.075673 0.777489 O\n0.084115 0.780741 0.418386 O\n0.758650 0.675519 0.549880 O\n0.341599 0.575673 0.722512 O\n",
"nsites": 20,
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"elements": [
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"Te",
"O"
],
"chemical_system": "Cd-O-Te",
"density": 7.177028626941284,
"density_atomic": 0.0770663532349164,
"volume": 259.5166263938205,
"volume_molar": 7.814228268519591,
"formula_full": "Cd6 Te2 O12",
"formula_reduced": "Cd3TeO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.0362538016666665,
"spacegroup": 14
},
{
"id": "jvasp-11793",
"created_at": "2022-09-04T14:37:04.205931Z",
"updated_at": "2022-09-04T14:37:04.205962Z",
"structure_string": "K4 Mn4 O6\n1.0\n0.000000 6.013595 -0.001336\n6.418357 0.000000 0.000000\n0.000000 -2.733185 -5.856814\nK Mn O\n4 4 6\ndirect\n0.816592 0.361418 0.072760 K\n0.816592 0.138582 0.572760 K\n0.183408 0.638582 0.927240 K\n0.183408 0.861418 0.427240 K\n0.331222 0.119552 0.071595 Mn\n0.331222 0.380448 0.571594 Mn\n0.668778 0.880448 0.928405 Mn\n0.668778 0.619553 0.428406 Mn\n0.000000 0.500000 0.500000 O\n0.588406 0.627488 0.713994 O\n0.411595 0.127488 0.786006 O\n0.411594 0.372512 0.286006 O\n0.000000 0.000000 0.000000 O\n0.588405 0.872512 0.213994 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.46782384865378,
"density_atomic": 0.06192464622930203,
"volume": 226.08122698285777,
"volume_molar": 9.724949800601996,
"formula_full": "K4 Mn4 O6",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 14
},
{
"id": "jvasp-29327",
"created_at": "2022-09-04T14:37:04.259622Z",
"updated_at": "2022-09-04T14:37:04.259649Z",
"structure_string": "Ti4 Tl16 Se16\n1.0\n8.503971 0.000000 0.000000\n0.000000 8.374029 -2.029812\n0.000000 -0.041417 15.833034\nTi Tl Se\n4 16 16\ndirect\n0.388127 0.207825 0.877340 Ti\n0.611873 0.792175 0.122660 Ti\n0.111873 0.207825 0.377340 Ti\n0.888126 0.792175 0.622660 Ti\n-0.001980 0.968599 0.873941 Tl\n0.498020 0.031400 0.626058 Tl\n0.001980 0.031400 0.126059 Tl\n0.501979 0.968600 0.373941 Tl\n0.177354 0.598329 0.889408 Tl\n0.677354 0.401670 0.610592 Tl\n0.707904 0.390352 0.360361 Tl\n0.322646 0.598329 0.389408 Tl\n0.606171 0.807768 0.870852 Tl\n0.106171 0.192232 0.629148 Tl\n0.393829 0.192232 0.129148 Tl\n0.893829 0.807768 0.370852 Tl\n0.792096 0.390352 0.860360 Tl\n0.292096 0.609648 0.639639 Tl\n0.207904 0.609648 0.139639 Tl\n0.822646 0.401671 0.110592 Tl\n0.324960 0.950518 0.784791 Se\n0.824960 0.049481 0.715209 Se\n0.553469 0.605024 0.208863 Se\n0.053469 0.394976 0.291137 Se\n0.446531 0.394975 0.791137 Se\n0.946531 0.605024 0.708863 Se\n0.836895 0.703636 0.033278 Se\n0.385055 0.823495 0.036875 Se\n0.163105 0.296364 0.966722 Se\n0.663105 0.703636 0.533277 Se\n0.885055 0.176505 0.463125 Se\n0.614945 0.176505 0.963125 Se\n0.114945 0.823495 0.536875 Se\n0.175040 0.950518 0.284791 Se\n0.336895 0.296364 0.466722 Se\n0.675040 0.049482 0.215209 Se\n",
"nsites": 36,
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"elements": [
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],
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"density": 6.963096137648485,
"density_atomic": 0.03194902321538017,
"volume": 1126.795012082551,
"volume_molar": 18.849217140075066,
"formula_full": "Ti4 Tl16 Se16",
"formula_reduced": "Ti(TlSe)4",
"formula_anonymous": "AB4C4",
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"spacegroup": 14
},
{
"id": "jvasp-30288",
"created_at": "2022-09-04T14:37:04.219967Z",
"updated_at": "2022-09-04T14:37:04.219988Z",
"structure_string": "Mn2 F8\n1.0\n5.244455 0.000000 -0.078832\n0.000000 4.738090 0.000000\n-2.250974 0.000000 4.651060\nMn F\n2 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.116307 0.316633 0.860082 F\n0.116307 0.183367 0.360082 F\n0.339421 0.643046 0.624382 F\n0.339420 0.856954 0.124382 F\n0.660582 0.143046 0.875619 F\n0.660581 0.356954 0.375619 F\n0.883695 0.816633 0.639919 F\n0.883695 0.683367 0.139919 F\n",
"nsites": 10,
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],
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"density_atomic": 0.08715962234284269,
"volume": 114.73202534844592,
"volume_molar": 6.909324063282294,
"formula_full": "Mn2 F8",
"formula_reduced": "MnF4",
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"spacegroup": 14
},
{
"id": "jvasp-51892",
"created_at": "2022-09-04T14:37:04.768822Z",
"updated_at": "2022-09-04T14:37:04.768846Z",
"structure_string": "Tb4 Mn2 Ni2 O12\n1.0\n0.000000 5.226265 -0.008477\n5.646660 0.000000 0.000000\n0.000000 -5.166352 -7.405094\nTb Mn Ni O\n4 2 2 12\ndirect\n0.770596 0.576666 0.250199 Tb\n0.770596 0.923334 0.750199 Tb\n0.229404 0.076666 0.249801 Tb\n0.229403 0.423334 0.749801 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.354458 0.030310 0.752231 O\n0.150388 0.185195 0.950593 O\n0.736888 0.203778 0.551411 O\n0.150388 0.314805 0.450593 O\n0.354458 0.469690 0.252231 O\n0.645542 0.969690 0.247769 O\n0.645542 0.530310 0.747769 O\n0.263111 0.796222 0.448589 O\n0.849611 0.685195 0.549406 O\n0.263111 0.703779 0.948588 O\n0.736888 0.296222 0.051412 O\n0.849611 0.814805 0.049407 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Mn-Ni-O-Tb",
"density": 8.007170363695478,
"density_atomic": 0.09141662252089984,
"volume": 218.7785924318913,
"volume_molar": 6.5875773944976,
"formula_full": "Tb4 Mn2 Ni2 O12",
"formula_reduced": "Tb2MnNiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.439133744137931,
"spacegroup": 14
},
{
"id": "jvasp-50278",
"created_at": "2022-09-04T14:37:05.099085Z",
"updated_at": "2022-09-04T14:37:05.099103Z",
"structure_string": "Na4 Be4 O6\n1.0\n0.000000 4.974246 0.011575\n6.843437 0.000000 0.000000\n0.000000 -1.861569 -5.486768\nNa Be O\n4 4 6\ndirect\n0.251418 0.367178 0.888765 Na\n0.748583 0.867179 0.611235 Na\n0.251418 0.132822 0.388764 Na\n0.748583 0.632822 0.111235 Na\n0.298672 0.521580 0.490993 Be\n0.298672 0.978420 0.990994 Be\n0.701328 0.021580 0.009006 Be\n0.701328 0.478420 0.509006 Be\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.419402 0.054864 0.787409 O\n0.580599 0.554865 0.712591 O\n0.419402 0.445136 0.287409 O\n0.580599 0.945136 0.212590 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 1.9931048817232804,
"density_atomic": 0.0750158301843405,
"volume": 186.62727541103035,
"volume_molar": 8.027826587003654,
"formula_full": "Na4 Be4 O6",
"formula_reduced": "Na2Be2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.2264001,
"spacegroup": 14
},
{
"id": "jvasp-19103",
"created_at": "2022-09-04T14:37:05.304838Z",
"updated_at": "2022-09-04T14:37:05.304855Z",
"structure_string": "Ca8 Si4 O16\n1.0\n0.000000 5.541381 -0.021710\n6.780353 0.000000 0.000000\n0.000000 -4.761668 -9.268723\nCa Si O\n8 4 16\ndirect\n0.484536 0.502097 0.202322 Ca\n0.515463 0.002097 0.297678 Ca\n0.515463 0.497903 0.797678 Ca\n0.484536 0.997902 0.702321 Ca\n0.206527 0.156201 0.931509 Ca\n0.793472 0.656201 0.568490 Ca\n0.793472 0.843799 0.068491 Ca\n0.206527 0.343799 0.431509 Ca\n0.149373 0.781669 0.418159 Si\n0.850626 0.281669 0.081841 Si\n0.850626 0.218331 0.581841 Si\n0.149373 0.718330 0.918159 Si\n0.774582 0.514402 0.057579 O\n0.225417 0.014402 0.442420 O\n0.826623 0.751254 0.305182 O\n0.173376 0.251255 0.194817 O\n0.173376 0.248745 0.694817 O\n0.826623 0.748745 0.805182 O\n0.350659 0.666720 0.362944 O\n0.777721 0.330604 0.426519 O\n0.649340 0.333279 0.637055 O\n0.350659 0.833279 0.862944 O\n0.222278 0.669396 0.573480 O\n0.777721 0.169396 0.926519 O\n0.774582 0.985597 0.557579 O\n0.222278 0.830604 0.073480 O\n0.649340 0.166721 0.137056 O\n0.225417 0.485598 0.942420 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.2785166001582406,
"density_atomic": 0.08024067659364681,
"volume": 348.9501981868501,
"volume_molar": 7.50509718468253,
"formula_full": "Ca8 Si4 O16",
"formula_reduced": "Ca2SiO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 14
}
]
}