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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=538",
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"results": [
{
"id": "jvasp-120421",
"created_at": "2022-09-04T14:38:50.530124Z",
"updated_at": "2022-09-04T14:38:50.530147Z",
"structure_string": "Li7 Co5 O12\n1.0\n6.295973 -0.024855 0.808755\n0.598064 6.267553 0.808755\n-0.008120 -0.007353 4.902482\nLi Co O\n7 5 12\ndirect\n0.081034 0.409719 0.255322 Li\n0.757405 0.757405 0.257112 Li\n0.409719 0.081034 0.255322 Li\n0.590280 0.918965 0.744676 Li\n0.242594 0.242595 0.742886 Li\n0.918965 0.590280 0.744676 Li\n-0.000000 0.000000 0.500000 Li\n0.330037 0.669962 0.499999 Co\n0.499999 0.499999 -0.000001 Co\n0.669962 0.330037 0.499999 Co\n0.835936 0.164063 -0.000001 Co\n0.164063 0.835936 -0.000001 Co\n0.608340 0.608340 0.631619 O\n0.708746 0.064659 0.359573 O\n0.391659 0.391659 0.368379 O\n0.064659 0.708746 0.359573 O\n0.225119 0.558260 0.868077 O\n0.885399 0.885399 0.893556 O\n0.558260 0.225120 0.868077 O\n0.441739 0.774879 0.131921 O\n0.114600 0.114600 0.106442 O\n0.774879 0.441739 0.131921 O\n0.935340 0.291253 0.640425 O\n0.291253 0.935340 0.640425 O\n",
"nsites": 24,
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],
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"volume": 193.60171025821592,
"volume_molar": 4.857903127298801,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5957456875,
"spacegroup": 12
},
{
"id": "jvasp-119343",
"created_at": "2022-09-04T14:38:50.601656Z",
"updated_at": "2022-09-04T14:38:50.601674Z",
"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n4.815296 0.008139 1.468094\n0.881744 4.983345 2.899358\n-0.004094 0.021423 5.832403\nLi Cr Ni O\n4 3 1 8\ndirect\n-0.002063 0.502475 0.502476 Li\n0.002062 0.997526 0.997527 Li\n0.000000 0.992203 0.507797 Li\n0.000002 0.507799 0.992201 Li\n0.499999 0.249998 0.249998 Cr\n0.500000 0.249997 0.750003 Cr\n0.499999 0.750004 0.249997 Cr\n0.500001 0.750000 0.749999 Ni\n0.270499 0.615048 0.615047 O\n0.729500 0.884953 0.884951 O\n0.273564 0.121190 0.121191 O\n0.726439 0.378809 0.378809 O\n0.726736 0.365198 0.885601 O\n0.726736 0.885603 0.365198 O\n0.273266 0.134800 0.614398 O\n0.273265 0.614397 0.134801 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.404095674969258,
"density_atomic": 0.11455358880442218,
"volume": 139.67262105875065,
"volume_molar": 5.2570511520871035,
"formula_full": "Li4 Cr3 Ni1 O8",
"formula_reduced": "Li4Cr3NiO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.7916570375000003,
"spacegroup": 12
},
{
"id": "jvasp-111645",
"created_at": "2022-09-04T14:38:50.613783Z",
"updated_at": "2022-09-04T14:38:50.613808Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.188625 -0.095403 0.868763\n-9.104659 4.574097 0.868763\n-0.032130 -0.132755 4.956593\nLi Mn Co O\n8 2 4 14\ndirect\n0.858222 0.141779 0.499999 Li\n0.286137 0.713864 0.499999 Li\n0.713864 0.286137 0.499999 Li\n0.141779 0.858221 0.499999 Li\n0.568415 0.431585 0.499999 Li\n-0.000000 -0.000001 0.500000 Li\n0.431585 0.568415 0.499999 Li\n0.500001 0.500001 -0.000001 Li\n0.928835 0.071167 -0.000001 Mn\n0.071167 0.928834 -0.000001 Mn\n0.214209 0.785792 -0.000001 Co\n0.642460 0.357542 -0.000001 Co\n0.357542 0.642459 -0.000001 Co\n0.785793 0.214209 -0.000001 Co\n0.221471 0.221471 0.768972 O\n0.613596 0.899194 0.221919 O\n0.046457 0.476156 0.216919 O\n0.476156 0.046457 0.216919 O\n0.899194 0.613596 0.221919 O\n0.321884 0.170379 0.226371 O\n0.778530 0.778530 0.231026 O\n0.170379 0.321884 0.226372 O\n0.100806 0.386404 0.778079 O\n0.523845 0.953544 0.783079 O\n0.953544 0.523845 0.783079 O\n0.386405 0.100806 0.778079 O\n0.829622 0.678117 0.773626 O\n0.678117 0.829622 0.773626 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.53206018778771,
"density_atomic": 0.12224618773262386,
"volume": 229.04599741990674,
"volume_molar": 4.9262401320616975,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 12
},
{
"id": "jvasp-111639",
"created_at": "2022-09-04T14:38:50.605522Z",
"updated_at": "2022-09-04T14:38:50.605557Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.837731 -0.121105 -0.023109\n-1.121985 7.318654 -1.914989\n0.066874 0.019263 8.037455\nLi Mn Co O\n6 2 2 10\ndirect\n0.587444 0.175395 0.764156 Li\n0.809643 0.618789 0.414183 Li\n0.000000 0.000000 0.000000 Li\n0.190353 0.381211 0.585816 Li\n0.412553 0.824605 0.235843 Li\n-0.000001 -0.000000 0.500000 Li\n0.801590 0.603177 0.898638 Mn\n0.198407 0.396823 0.101361 Mn\n0.597481 0.195009 0.301812 Co\n0.402516 0.804991 0.698187 Co\n0.601759 0.203721 0.533464 O\n0.209223 0.418144 0.862510 O\n0.398238 0.796279 0.466535 O\n0.608905 0.217588 0.056060 O\n0.809097 0.617805 0.668624 O\n0.011525 0.022816 0.251675 O\n-0.011528 0.977183 0.748324 O\n0.190900 0.382195 0.331375 O\n0.391092 0.782412 0.943939 O\n0.790773 0.581856 0.137489 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.2961318434477285,
"density_atomic": 0.12050752836352935,
"volume": 165.96473491404578,
"volume_molar": 4.997314974242351,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.406831564137931,
"spacegroup": 12
},
{
"id": "jvasp-117126",
"created_at": "2022-09-04T14:38:50.780919Z",
"updated_at": "2022-09-04T14:38:50.780953Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.721282 -0.033527 3.954861\n8.269782 2.769945 3.954861\n0.087032 0.014017 9.478349\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.210717 0.210716 0.150777 Li\n0.934005 0.934001 0.292505 Li\n0.627871 0.627869 0.439131 Li\n0.372130 0.372129 0.560869 Li\n0.065996 0.065997 0.707495 Li\n0.789284 0.789282 0.849223 Li\n-0.000001 0.000001 0.500000 Li\n0.143711 0.143713 0.929042 Mn\n0.856290 0.856285 0.070958 Mn\n0.714396 0.714394 0.641789 Co\n0.429826 0.429826 0.780742 Co\n0.570175 0.570173 0.219258 Co\n0.285605 0.285605 0.358211 Co\n0.955951 0.955948 0.897335 O\n0.613911 0.613910 0.825782 O\n0.324948 0.324949 0.970937 O\n0.044050 0.044050 0.102665 O\n0.756950 0.756947 0.251980 O\n0.470410 0.470408 0.377861 O\n0.187855 0.187855 0.537398 O\n0.896363 0.896360 0.691887 O\n0.386089 0.386088 0.174218 O\n0.103638 0.103638 0.308113 O\n0.812146 0.812143 0.462602 O\n0.529591 0.529590 0.622139 O\n0.243051 0.243052 0.748020 O\n0.675053 0.675049 0.029063 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.501305311994116,
"density_atomic": 0.12141661659628102,
"volume": 230.6109393008538,
"volume_molar": 4.959898347376991,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.557191681527094,
"spacegroup": 12
},
{
"id": "jvasp-120457",
"created_at": "2022-09-04T14:38:50.798397Z",
"updated_at": "2022-09-04T14:38:50.798422Z",
"structure_string": "Na6 In2 P4 O16\n1.0\n5.494344 -0.000000 0.000000\n0.000000 7.029786 0.003408\n0.000000 0.002175 8.679242\nNa In P O\n6 2 4 16\ndirect\n0.750000 0.500013 0.749965 Na\n0.250000 0.499988 0.250035 Na\n0.750000 0.713777 0.439543 Na\n0.250000 0.286224 0.560457 Na\n0.750000 0.286327 0.060467 Na\n0.250000 0.713674 0.939533 Na\n0.750000 0.000011 0.750026 In\n0.250000 -0.000011 0.249974 In\n0.250000 0.223092 0.902729 P\n0.750000 0.776909 0.097271 P\n0.250000 0.776887 0.597281 P\n0.750000 0.223114 0.402719 P\n0.480149 0.224241 0.794096 O\n0.980148 0.775761 0.205904 O\n0.519851 0.775761 0.205904 O\n0.019851 0.224241 0.794096 O\n0.250000 0.040228 0.002434 O\n0.750000 0.959773 0.997567 O\n0.480153 0.775792 0.705910 O\n0.250000 0.959694 0.497514 O\n0.519846 0.224209 0.294090 O\n0.019847 0.775792 0.705910 O\n0.250000 0.599039 0.498363 O\n0.750000 0.400962 0.501637 O\n0.750000 0.599120 0.998284 O\n0.750000 0.040307 0.502487 O\n0.980153 0.224209 0.294090 O\n0.250000 0.400882 0.001716 O\n",
"nsites": 28,
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"elements": [
"Na",
"In",
"P",
"O"
],
"chemical_system": "In-Na-O-P",
"density": 3.7025198405791744,
"density_atomic": 0.08352535588971984,
"volume": 335.2275449980596,
"volume_molar": 7.2099552235983895,
"formula_full": "Na6 In2 P4 O16",
"formula_reduced": "Na3In(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.832856855,
"spacegroup": 12
},
{
"id": "jvasp-118982",
"created_at": "2022-09-04T14:38:50.803895Z",
"updated_at": "2022-09-04T14:38:50.803921Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.760708 0.080182 -0.651827\n-0.659143 9.428624 -1.660045\n0.053313 -0.028119 6.393454\nLi Mn O\n6 4 10\ndirect\n0.900005 0.699999 0.799992 Li\n0.400009 0.200003 0.800004 Li\n0.089538 0.294756 0.179077 Li\n0.710495 0.105244 0.420929 Li\n0.495402 0.488728 0.991270 Li\n0.304637 0.911278 0.608732 Li\n0.996630 0.005450 0.993577 Mn\n0.601732 0.799374 0.203496 Mn\n0.803347 0.394547 0.606420 Mn\n0.198248 0.600621 0.396496 Mn\n0.143030 0.937213 0.286680 O\n0.547923 0.133556 0.096591 O\n0.252072 0.266441 0.503413 O\n0.338726 0.542095 0.677788 O\n0.461263 0.857904 0.922204 O\n0.939354 0.356239 0.878617 O\n0.860651 0.043765 0.721386 O\n0.743332 0.739966 0.487293 O\n0.056655 0.660032 0.112699 O\n0.656956 0.462783 0.313318 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.191628764704181,
"density_atomic": 0.11980563304917902,
"volume": 166.93705872569615,
"volume_molar": 5.026592328532643,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
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"spacegroup": 12
},
{
"id": "jvasp-123725",
"created_at": "2022-09-04T14:38:55.002191Z",
"updated_at": "2022-09-04T14:38:55.002217Z",
"structure_string": "Yb1 Se2\n1.0\n2.413715 -3.881227 -0.958059\n2.154386 3.731503 -0.000001\n-1.136627 0.656231 5.444317\nYb Se\n1 2\ndirect\n0.000000 0.333320 0.166667 Yb\n0.793036 0.729856 0.428805 Se\n0.206964 -0.063179 0.904529 Se\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Se-Yb",
"density": 6.165171326476543,
"density_atomic": 0.033654395894115424,
"volume": 89.14140100564275,
"volume_molar": 17.89406881331954,
"formula_full": "Yb1 Se2",
"formula_reduced": "YbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-123651",
"created_at": "2022-09-04T14:38:55.032890Z",
"updated_at": "2022-09-04T14:38:55.032920Z",
"structure_string": "Cd1 Se2\n1.0\n2.348027 -3.708797 -0.775432\n2.037901 3.529746 -0.000000\n-0.922855 0.532810 5.345610\nCd Se\n1 2\ndirect\n-0.000000 0.333364 0.166667 Cd\n0.789798 0.728218 0.434269 Se\n0.210204 -0.061579 0.899065 Se\n",
"nsites": 3,
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"elements": [
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],
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"density_atomic": 0.03688259925906712,
"volume": 81.33916969700795,
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"formula_full": "Cd1 Se2",
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"spacegroup": 12
},
{
"id": "jvasp-119056",
"created_at": "2022-09-04T14:38:50.905682Z",
"updated_at": "2022-09-04T14:38:50.905717Z",
"structure_string": "U8 Ti1 S17\n1.0\n7.723198 0.003539 1.242028\n3.158056 7.048013 1.242028\n-0.002649 -0.001717 10.372289\nU Ti S\n8 1 17\ndirect\n0.815608 0.302138 0.298048 U\n0.302139 0.815608 0.298048 U\n0.184393 0.697861 0.701953 U\n0.697862 0.184392 0.701953 U\n0.204702 0.204701 0.542003 U\n0.795299 0.795298 0.457997 U\n0.685041 0.685040 0.981537 U\n0.314960 0.314960 0.018463 U\n0.000000 0.000000 0.000000 Ti\n0.522414 0.522413 0.831325 S\n0.698242 0.698241 0.244871 S\n0.301759 0.301759 0.755129 S\n0.938690 0.938689 0.229411 S\n0.061311 0.061311 0.770589 S\n0.788335 0.788334 0.722924 S\n0.211666 0.211666 0.277076 S\n0.567108 0.179316 0.464383 S\n0.061909 0.675046 0.972068 S\n0.324954 0.938091 0.027933 S\n0.938092 0.324953 0.027933 S\n0.477587 0.477586 0.168675 S\n0.179317 0.567107 0.464383 S\n0.432893 0.820683 0.535617 S\n0.820684 0.432892 0.535617 S\n0.675047 0.061908 0.972068 S\n0.000000 -0.000000 0.500000 S\n",
"nsites": 26,
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"elements": [
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"Ti",
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],
"chemical_system": "S-Ti-U",
"density": 7.345618650489522,
"density_atomic": 0.04605732725704346,
"volume": 564.5138688768326,
"volume_molar": 13.07531530518642,
"formula_full": "U8 Ti1 S17",
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"formula_anonymous": "AB8C17",
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"spacegroup": 12
},
{
"id": "jvasp-116876",
"created_at": "2022-09-04T14:38:50.962137Z",
"updated_at": "2022-09-04T14:38:50.962164Z",
"structure_string": "Li12 Mn2 Fe4 O12\n1.0\n2.851319 0.001441 -0.803193\n-0.860198 14.754638 2.437168\n0.294776 0.399800 6.508845\nLi Mn Fe O\n12 2 4 12\ndirect\n0.019523 0.310190 0.728821 Li\n0.960095 0.824324 0.095970 Li\n0.670438 0.288586 0.052250 Li\n0.610994 0.802840 0.419151 Li\n0.964562 0.152033 0.777043 Li\n0.964625 0.657499 0.271741 Li\n0.665880 0.455518 0.876191 Li\n0.665748 0.960975 0.370527 Li\n0.315059 0.140834 0.489298 Li\n0.315770 0.632752 -0.001155 Li\n0.314691 0.480331 0.149004 Li\n0.315169 0.972260 0.658090 Li\n0.279521 0.791922 0.767217 Mn\n0.350938 0.321194 0.380685 Mn\n0.011962 0.995747 0.028157 Fe\n0.009422 0.496059 0.522738 Fe\n0.618282 0.117195 0.119349 Fe\n0.621099 0.617000 0.625201 Fe\n0.441677 0.067669 0.815652 O\n0.518869 0.390832 0.646830 O\n0.519114 0.893284 0.145006 O\n0.111215 0.219687 0.002715 O\n0.111606 0.722223 0.501033 O\n0.864335 0.230011 0.498668 O\n0.840249 0.719097 0.961469 O\n0.790185 0.393962 0.186374 O\n0.766018 0.883062 0.649017 O\n0.188619 0.045337 0.331908 O\n0.186557 0.540938 0.832136 O\n0.443954 0.572113 0.315784 O\n",
"nsites": 30,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.6768576560513857,
"density_atomic": 0.10915891469615348,
"volume": 274.82867600420667,
"volume_molar": 5.5168565726058905,
"formula_full": "Li12 Mn2 Fe4 O12",
"formula_reduced": "Li6Mn(FeO3)2",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.3482766160919537,
"spacegroup": 12
},
{
"id": "jvasp-120511",
"created_at": "2022-09-04T14:38:50.971211Z",
"updated_at": "2022-09-04T14:38:50.971235Z",
"structure_string": "Nd2 Co17 N2\n1.0\n6.322102 0.013223 0.681371\n0.588785 6.294639 0.681371\n0.017998 0.016427 6.411442\nNd Co N\n2 17 2\ndirect\n0.651647 0.651646 0.658946 Nd\n0.348354 0.348354 0.341053 Nd\n0.000000 0.500000 -0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.281078 0.718923 -0.000000 Co\n0.720807 0.000868 0.277730 Co\n-0.000868 0.279193 0.722269 Co\n0.279193 -0.000868 0.722269 Co\n0.000869 0.720807 0.277730 Co\n0.718923 0.281077 -0.000000 Co\n0.657284 0.141313 0.662441 Co\n0.141313 0.657284 0.662440 Co\n0.653165 0.653164 0.130566 Co\n0.342717 0.858688 0.337559 Co\n0.858688 0.342716 0.337559 Co\n0.346836 0.346836 0.869433 Co\n0.096104 0.096104 0.093006 Co\n0.903897 0.903896 0.906993 Co\n0.000001 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Nd",
"Co",
"N"
],
"chemical_system": "Co-N-Nd",
"density": 8.586596808961847,
"density_atomic": 0.08236765186001337,
"volume": 254.95445755440758,
"volume_molar": 7.311293479914704,
"formula_full": "Nd2 Co17 N2",
"formula_reduced": "Nd2Co17N2",
"formula_anonymous": "A2B2C17",
"energy_above_hull": 4.184820704761905,
"spacegroup": 12
}
]
}