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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=273",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=271",
"results": [
{
"id": "jvasp-48971",
"created_at": "2022-09-04T14:35:41.427923Z",
"updated_at": "2022-09-04T14:35:41.427947Z",
"structure_string": "Li4 Mn1 O2 F3\n1.0\n3.879225 0.003388 0.000560\n1.935556 4.645786 0.032704\n1.938572 0.260521 4.857501\nLi Mn O F\n4 1 2 3\ndirect\n0.190593 0.200438 0.413669 Li\n0.606656 0.601625 0.180368 Li\n0.416931 0.387088 0.774359 Li\n0.801178 0.771246 0.621704 Li\n0.986007 0.030288 0.993008 Mn\n0.496507 0.996758 0.005545 O\n0.901439 0.380261 0.812161 O\n0.687369 0.213912 0.406644 F\n0.074158 0.632258 0.214733 F\n0.301127 0.795068 0.597975 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.2593952428894006,
"density_atomic": 0.11432142105807926,
"volume": 87.4726705410673,
"volume_molar": 5.2677273465141266,
"formula_full": "Li4 Mn1 O2 F3",
"formula_reduced": "Li4MnO2F3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.1049075088879308,
"spacegroup": 8
},
{
"id": "jvasp-43767",
"created_at": "2022-09-04T14:35:41.661930Z",
"updated_at": "2022-09-04T14:35:41.661966Z",
"structure_string": "Li4 Ti5 Cr3 O16\n1.0\n5.840694 -0.022527 0.016862\n-2.939856 5.091965 -0.000018\n0.027066 0.015599 9.505269\nLi Ti Cr O\n4 5 3 16\ndirect\n0.331493 0.665758 0.894888 Li\n0.993021 0.996513 0.993170 Li\n0.996840 0.998427 0.496861 Li\n0.669160 0.334593 0.399356 Li\n0.347510 0.173767 0.721665 Ti\n0.177383 0.834467 0.217349 Ti\n0.336143 0.668082 0.496709 Ti\n0.177381 0.342938 0.217347 Ti\n0.681256 0.340637 0.990840 Ti\n0.828417 0.168813 0.712836 Cr\n0.657060 0.828540 0.212249 Cr\n0.828416 0.659626 0.712836 Cr\n0.332071 0.166044 0.095774 O\n0.834579 0.667874 0.095943 O\n0.662995 0.331510 0.602720 O\n0.514558 0.034923 0.841598 O\n0.514559 0.479658 0.841600 O\n0.665224 0.832622 0.597073 O\n0.482514 0.518937 0.340569 O\n0.037313 0.518667 0.339750 O\n0.167359 0.333524 0.596236 O\n-0.003016 -0.001495 0.808115 O\n0.996324 0.998173 0.310755 O\n0.329058 0.664540 0.100988 O\n0.957909 0.478967 0.837864 O\n0.167359 0.833856 0.596237 O\n0.482516 0.963600 0.340570 O\n0.834580 0.166722 0.095940 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.9978566608791017,
"density_atomic": 0.0992696941213431,
"volume": 282.0599000312621,
"volume_molar": 6.066444359784961,
"formula_full": "Li4 Ti5 Cr3 O16",
"formula_reduced": "Li4Ti5Cr3O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.3321378523809524,
"spacegroup": 8
},
{
"id": "jvasp-86761",
"created_at": "2022-09-04T14:35:42.001896Z",
"updated_at": "2022-09-04T14:35:42.001927Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.428712 0.093828 0.946956\n2.226987 3.829208 0.946957\n0.543117 0.320127 11.959868\nCa Si Br\n3 1 2\ndirect\n0.789264 0.789265 0.517775 Ca\n0.300481 0.300482 0.121533 Ca\n0.753189 0.753190 0.887625 Ca\n0.025307 0.025307 0.006064 Si\n0.404360 0.404361 0.652089 Br\n0.172400 0.172401 0.390917 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.5876155527674394,
"density_atomic": 0.030343903280783197,
"volume": 197.7332956963319,
"volume_molar": 19.84629566036688,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1130496783333332,
"spacegroup": 8
},
{
"id": "jvasp-5824",
"created_at": "2022-09-04T14:35:43.087009Z",
"updated_at": "2022-09-04T14:35:43.087035Z",
"structure_string": "Ta3 S1 Br7\n1.0\n6.211481 0.000000 3.482476\n3.079153 6.170719 1.788660\n0.002854 0.000457 7.275667\nTa S Br\n3 1 7\ndirect\n0.647999 0.318188 0.385813 Ta\n0.647196 0.720983 0.387303 Ta\n0.244517 0.720983 0.387303 Ta\n0.649601 0.590779 0.110018 S\n0.736884 0.918606 0.607624 Br\n0.126894 0.584317 0.161895 Br\n0.210425 0.920969 0.658181 Br\n0.620313 0.090511 0.161153 Br\n0.128025 0.090511 0.161153 Br\n0.211908 0.413979 0.655482 Br\n0.718630 0.413979 0.655482 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ta",
"S",
"Br"
],
"chemical_system": "Br-S-Ta",
"density": 6.7553028414865635,
"density_atomic": 0.03945342751589345,
"volume": 278.8097433504035,
"volume_molar": 15.26392290650549,
"formula_full": "Ta3 S1 Br7",
"formula_reduced": "Ta3SBr7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.270884212272727,
"spacegroup": 8
},
{
"id": "jvasp-48956",
"created_at": "2022-09-04T14:35:44.592873Z",
"updated_at": "2022-09-04T14:35:44.592900Z",
"structure_string": "Li2 V4 O6 F2\n1.0\n5.928670 0.053396 0.049155\n3.007439 5.110220 0.009338\n2.934236 1.734491 4.848143\nLi V O F\n2 4 6 2\ndirect\n0.503155 0.003152 0.991788 Li\n0.866765 0.366749 0.384503 Li\n0.130153 0.630108 0.611722 V\n0.993648 0.025235 0.987397 V\n0.499339 -0.000712 0.519140 V\n0.525209 0.493698 0.987390 V\n0.737840 0.748054 0.757087 O\n0.744220 0.244329 0.778476 O\n0.734775 0.234723 0.250617 O\n0.248081 0.237778 0.757034 O\n0.257254 0.757322 0.754209 O\n0.248305 0.748287 0.225075 O\n0.742987 0.768275 0.247789 F\n0.268277 0.243009 0.247760 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.012340658030526,
"density_atomic": 0.09620042163327489,
"volume": 145.52950769144573,
"volume_molar": 6.2599941432242066,
"formula_full": "Li2 V4 O6 F2",
"formula_reduced": "LiV2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.3264313117857145,
"spacegroup": 8
},
{
"id": "jvasp-42674",
"created_at": "2022-09-04T14:35:44.502912Z",
"updated_at": "2022-09-04T14:35:44.502938Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.809491 0.000142 -0.074341\n0.000004 5.848272 -0.000194\n-0.835215 -2.924294 9.594422\nFe O F\n8 6 10\ndirect\n0.491520 0.883065 0.246132 Fe\n0.492394 0.601186 0.745907 Fe\n0.492441 0.144688 0.745848 Fe\n0.491426 0.363043 0.246165 Fe\n0.005146 0.501055 0.002365 Fe\n0.986788 0.246586 0.493200 Fe\n0.010775 0.002341 0.004279 Fe\n0.029854 0.758193 0.516414 Fe\n0.690828 0.173367 0.346765 O\n0.702685 0.424659 0.849379 O\n0.285946 0.321483 0.642905 O\n0.320951 0.831122 0.662260 O\n0.312207 0.577737 0.155514 O\n0.299472 0.074761 0.149615 O\n0.794867 0.047250 0.597982 F\n0.193831 0.945490 0.398406 F\n0.193818 0.452896 0.398401 F\n0.203499 0.699880 0.899740 F\n0.203692 0.199849 0.899646 F\n0.702725 0.924487 0.848932 F\n0.700696 0.676158 0.352305 F\n0.794861 0.550722 0.597986 F\n0.799702 0.299628 0.099986 F\n0.799875 0.800353 0.099874 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.5148458153007285,
"density_atomic": 0.08905430353705576,
"volume": 269.4984862804921,
"volume_molar": 6.762324245783551,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.907441159375,
"spacegroup": 8
},
{
"id": "jvasp-98589",
"created_at": "2022-09-04T14:35:45.138519Z",
"updated_at": "2022-09-04T14:35:45.138536Z",
"structure_string": "V6 H4 O13\n1.0\n5.956577 1.913178 -1.141721\n-5.956577 1.913178 1.141721\n0.009878 -0.000000 10.357191\nV H O\n6 4 13\ndirect\n0.644425 0.355576 -0.002132 V\n0.352493 0.647508 0.012404 V\n0.591554 0.408447 0.615469 V\n0.410808 0.589193 0.364857 V\n0.291825 0.708176 0.637009 V\n0.715223 0.284777 0.386470 V\n0.819626 0.180375 0.876877 H\n0.922469 0.077532 0.496282 H\n0.507422 0.492579 0.804621 H\n0.581133 0.418868 0.195144 H\n0.662839 0.337162 0.199815 O\n0.333705 0.666296 0.802737 O\n0.382360 0.617641 0.194353 O\n0.588654 0.411347 0.804405 O\n0.500856 0.499145 0.008113 O\n0.185915 0.814086 0.001194 O\n0.760252 0.239749 0.595962 O\n0.894152 0.105849 0.400135 O\n0.127066 0.872935 0.616423 O\n0.433576 0.566425 0.579215 O\n0.818763 0.181238 0.971909 O\n0.251272 0.748729 0.403677 O\n0.567712 0.432289 0.415304 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 3.64083564577324,
"density_atomic": 0.09741466296797237,
"volume": 236.10408637929442,
"volume_molar": 6.18196540081439,
"formula_full": "V6 H4 O13",
"formula_reduced": "V6H4O13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 3.6620217695652175,
"spacegroup": 8
},
{
"id": "jvasp-90524",
"created_at": "2022-09-04T14:35:45.278185Z",
"updated_at": "2022-09-04T14:35:45.278210Z",
"structure_string": "Li3 Mn1 O1 F4\n1.0\n-3.597187 0.000171 -0.000327\n-1.798305 5.067712 0.072409\n-1.798098 -0.072319 -5.064633\nLi Mn O F\n3 1 1 4\ndirect\n0.785615 0.579386 0.849406 Li\n0.436079 0.749065 0.378797 Li\n0.599463 0.252882 0.548230 Li\n0.981038 0.025900 0.012083 Mn\n0.528294 0.945922 -0.002470 O\n0.868873 0.890120 0.372165 F\n0.698402 0.405785 0.197429 F\n0.333209 0.610130 0.723483 F\n0.058081 0.206982 0.676881 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.0179321980343503,
"density_atomic": 0.09750566675282991,
"volume": 92.30232764639592,
"volume_molar": 6.176195661802621,
"formula_full": "Li3 Mn1 O1 F4",
"formula_reduced": "Li3MnOF4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7653424301532568,
"spacegroup": 8
},
{
"id": "jvasp-92438",
"created_at": "2022-09-04T14:35:45.335625Z",
"updated_at": "2022-09-04T14:35:45.335641Z",
"structure_string": "Nd3 In1 N1\n1.0\n6.574522 -0.808058 2.006837\n-0.714346 4.110512 -0.323823\n3.163111 -1.074182 6.153580\nNd In N\n3 1 1\ndirect\n0.540671 0.821943 0.103624 Nd\n0.246017 0.033199 0.821095 Nd\n-0.030157 0.258158 0.545176 Nd\n0.735858 0.538992 0.342085 In\n0.007606 0.847706 0.688021 N\n",
"nsites": 5,
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"elements": [
"Nd",
"In",
"N"
],
"chemical_system": "In-N-Nd",
"density": 6.819637016347879,
"density_atomic": 0.03656732513978333,
"volume": 136.73409200390932,
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"formula_full": "Nd3 In1 N1",
"formula_reduced": "Nd3InN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.893883544,
"spacegroup": 8
},
{
"id": "jvasp-43809",
"created_at": "2022-09-04T14:35:45.567322Z",
"updated_at": "2022-09-04T14:35:45.567344Z",
"structure_string": "Li4 Ti5 Fe3 O16\n1.0\n-5.798190 -0.000065 0.000332\n2.898953 4.923639 -0.030716\n-0.000791 0.042391 -9.521583\nLi Ti Fe O\n4 5 3 16\ndirect\n0.330410 0.660836 0.108403 Li\n0.013121 0.026272 0.006934 Li\n0.004711 0.009448 0.505282 Li\n0.660653 0.321325 0.599911 Li\n0.823969 0.647949 0.276997 Ti\n0.159102 0.807642 0.782255 Ti\n0.330720 0.661454 0.499986 Ti\n0.648518 0.807646 0.782254 Ti\n0.654632 0.309291 0.006508 Ti\n0.825755 0.172627 0.287365 Fe\n0.179696 0.359416 0.787784 Fe\n0.346855 0.172628 0.287364 Fe\n0.834506 0.669037 0.907659 O\n0.336762 0.176741 0.900743 O\n0.664385 0.328793 0.399211 O\n0.966102 0.482625 0.158934 O\n0.516510 0.482628 0.158937 O\n0.165898 0.331822 0.394836 O\n0.481511 0.510407 0.654249 O\n0.479273 0.958577 0.663318 O\n0.667485 0.838029 0.403716 O\n0.006860 0.013732 0.194385 O\n0.004518 0.009064 0.694020 O\n0.339919 0.679858 0.906674 O\n0.518477 0.036966 0.165732 O\n0.170523 0.838028 0.403716 O\n0.028873 0.510408 0.654247 O\n0.839951 0.176741 0.900740 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 4.219083048610551,
"density_atomic": 0.10301135264812633,
"volume": 271.8147008091859,
"volume_molar": 5.84609424610787,
"formula_full": "Li4 Ti5 Fe3 O16",
"formula_reduced": "Li4Ti5Fe3O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.1526951488095243,
"spacegroup": 8
},
{
"id": "jvasp-91354",
"created_at": "2022-09-04T14:35:45.741531Z",
"updated_at": "2022-09-04T14:35:45.741556Z",
"structure_string": "V4 Cu3 S8\n1.0\n5.878234 0.000000 3.001727\n2.157070 5.542904 3.032335\n-0.033149 -0.011112 7.321404\nV Cu S\n4 3 8\ndirect\n0.014706 -0.031075 0.001663 V\n0.527530 0.952738 0.992201 V\n0.515135 0.547773 0.989233 V\n0.947857 0.547773 0.989233 V\n0.333071 0.909290 0.424566 Cu\n0.887114 0.333644 0.434119 Cu\n0.345122 0.333644 0.434119 Cu\n0.232137 0.240148 0.788776 S\n0.738937 0.240148 0.788777 S\n0.246230 0.755996 0.245514 S\n0.752258 0.755996 0.245515 S\n0.244107 0.740247 0.771535 S\n0.270457 0.283242 0.175844 S\n0.753261 0.764652 0.728825 S\n0.760072 0.257279 0.222577 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"V",
"Cu",
"S"
],
"chemical_system": "Cu-S-V",
"density": 4.518234894867009,
"density_atomic": 0.06270189730222561,
"volume": 239.22721074450763,
"volume_molar": 9.60439957817073,
"formula_full": "V4 Cu3 S8",
"formula_reduced": "V4Cu3S8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.5400812100000003,
"spacegroup": 8
},
{
"id": "jvasp-92507",
"created_at": "2022-09-04T14:35:46.333032Z",
"updated_at": "2022-09-04T14:35:46.333062Z",
"structure_string": "Ca1 Co1 O3\n1.0\n3.393348 0.756612 0.448832\n0.920504 3.352603 0.448832\n0.804447 0.766287 5.968458\nCa Co O\n1 1 3\ndirect\n0.276758 0.276759 0.067339 Ca\n0.808225 0.808222 0.554606 Co\n0.878669 0.878667 0.249798 O\n0.681833 0.681833 0.857958 O\n0.115021 0.115021 0.544602 O\n",
"nsites": 5,
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"elements": [
"Ca",
"Co",
"O"
],
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"density": 3.9401434328390303,
"density_atomic": 0.08070265976996291,
"volume": 61.95582666360858,
"volume_molar": 7.462134181408241,
"formula_full": "Ca1 Co1 O3",
"formula_reduced": "CaCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.780510364,
"spacegroup": 8
}
]
}