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=-formula_reduced&page=180",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=178",
"results": [
{
"id": "jvasp-56672",
"created_at": "2022-09-04T14:38:30.919075Z",
"updated_at": "2022-09-04T14:38:30.919097Z",
"structure_string": "Y2 Mo2 Cl2 O8\n1.0\n6.094277 -0.002274 1.518874\n1.778964 5.828850 1.518874\n0.009334 0.006908 6.859892\nY Mo Cl O\n2 2 2 8\ndirect\n0.778352 0.778353 0.110256 Y\n0.221646 0.221648 0.889743 Y\n0.362654 0.362654 0.269265 Mo\n0.637345 0.637347 0.730734 Mo\n0.990215 0.990217 0.762517 Cl\n0.009784 0.009784 0.237482 Cl\n0.889515 0.509246 0.846258 O\n0.110483 0.490755 0.153740 O\n0.457696 0.457698 0.798704 O\n0.294801 0.294802 0.535285 O\n0.542302 0.542303 0.201295 O\n0.705198 0.705199 0.464714 O\n0.490754 0.110484 0.153740 O\n0.509244 0.889517 0.846259 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Y",
"density": 3.8762054723952177,
"density_atomic": 0.05747570356316166,
"volume": 243.58118530232534,
"volume_molar": 10.477715602701759,
"formula_full": "Y2 Mo2 Cl2 O8",
"formula_reduced": "YMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6526999167857146,
"spacegroup": 12
},
{
"id": "jvasp-12706",
"created_at": "2022-09-04T14:38:12.317065Z",
"updated_at": "2022-09-04T14:38:12.317081Z",
"structure_string": "Y1 Mo3 O8\n1.0\n5.196821 -0.045417 -0.027762\n-0.009732 5.761276 -0.028054\n-0.008180 2.846725 5.009072\nY Mo O\n1 3 8\ndirect\n0.262752 0.678726 0.679060 Y\n0.742321 0.163695 0.691002 Mo\n0.746876 0.147194 0.147540 Mo\n0.742315 0.690654 0.164041 Mo\n0.547051 0.486189 0.014812 O\n0.941314 0.333342 0.333687 O\n0.981015 0.328208 0.836667 O\n0.957256 0.838618 0.838962 O\n0.547063 0.014458 0.486545 O\n0.474354 -0.016785 -0.016437 O\n0.981011 0.836316 0.328551 O\n0.537563 0.497304 0.497656 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Mo",
"O"
],
"chemical_system": "Mo-O-Y",
"density": 5.573071272690625,
"density_atomic": 0.07979493547476223,
"volume": 150.385484098742,
"volume_molar": 7.547021279194719,
"formula_full": "Y1 Mo3 O8",
"formula_reduced": "YMo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.8774525958333337,
"spacegroup": 8
},
{
"id": "jvasp-9319",
"created_at": "2022-09-04T14:36:37.290802Z",
"updated_at": "2022-09-04T14:36:37.290821Z",
"structure_string": "Y1 Mn1 W2 O8\n1.0\n5.095700 -0.006275 -0.073786\n-0.014134 5.903192 -0.005459\n-2.172107 -2.042804 5.165404\nY Mn W O\n1 1 2 8\ndirect\n0.525629 0.276493 0.901773 Y\n0.032314 0.749534 0.883861 Mn\n0.279267 0.602670 0.413200 W\n0.771931 0.955538 0.387848 W\n0.297023 0.325972 0.168115 O\n0.259483 0.508970 0.674264 O\n0.373291 0.805144 0.205374 O\n0.173338 0.950154 0.610716 O\n0.787565 0.057764 0.136099 O\n0.746006 0.231480 0.631681 O\n0.677705 0.749091 0.601005 O\n0.876349 0.608700 0.189955 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Y",
"Mn",
"W",
"O"
],
"chemical_system": "Mn-O-W-Y",
"density": 6.8790329894178415,
"density_atomic": 0.07773310656678474,
"volume": 154.37437830546688,
"volume_molar": 7.7472019657750995,
"formula_full": "Y1 Mn1 W2 O8",
"formula_reduced": "YMn(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 4.088446724281609,
"spacegroup": 1
},
{
"id": "jvasp-59757",
"created_at": "2022-09-04T14:37:06.005891Z",
"updated_at": "2022-09-04T14:37:06.005911Z",
"structure_string": "Y1 Mn6 Sn6\n1.0\n2.729882 -4.728294 0.000000\n2.729882 4.728294 -0.000000\n0.000000 0.000000 8.965869\nY Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.751593 Mn\n0.000000 0.500000 0.248407 Mn\n0.500000 0.000000 0.248407 Mn\n0.500000 0.500000 0.248407 Mn\n0.500000 0.500000 0.751593 Mn\n0.000000 0.500000 0.751593 Mn\n0.333333 0.666666 0.500000 Sn\n0.666666 0.333333 0.500000 Sn\n0.333333 0.666666 0.000000 Sn\n0.666666 0.333333 0.000000 Sn\n0.000000 0.000000 0.332849 Sn\n0.000000 0.000000 0.667151 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Y",
"density": 8.112634435940791,
"density_atomic": 0.05616588675037031,
"volume": 231.45721989182854,
"volume_molar": 10.722061216206644,
"formula_full": "Y1 Mn6 Sn6",
"formula_reduced": "Y(MnSn)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.9089822383289112,
"spacegroup": 191
},
{
"id": "jvasp-15276",
"created_at": "2022-09-04T14:36:21.635332Z",
"updated_at": "2022-09-04T14:36:21.635356Z",
"structure_string": "Y1 Mn2 Si2\n1.0\n3.678413 -0.000000 -1.293599\n-0.454925 3.650173 -1.293599\n-0.003896 -0.004412 5.865593\nY Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Mn\n0.749999 0.250000 0.499999 Mn\n0.620794 0.620794 0.241587 Si\n0.379205 0.379206 0.758411 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Y",
"density": 5.3784217395907,
"density_atomic": 0.06352076738878246,
"volume": 78.71441428591719,
"volume_molar": 9.480585653414964,
"formula_full": "Y1 Mn2 Si2",
"formula_reduced": "Y(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.643535426551724,
"spacegroup": 139
},
{
"id": "jvasp-18022",
"created_at": "2022-09-04T14:37:27.388266Z",
"updated_at": "2022-09-04T14:37:27.388296Z",
"structure_string": "Y2 Mn2 Si2\n1.0\n3.937083 0.000000 0.000000\n-0.000000 3.937083 -0.000000\n-0.000000 0.000000 7.087942\nY Mn Si\n2 2 2\ndirect\n0.000000 0.500000 0.668247 Y\n0.500000 0.000000 0.331753 Y\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.796890 Si\n0.000000 0.500000 0.203110 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Y",
"density": 5.197086340894557,
"density_atomic": 0.054611229506547405,
"volume": 109.86751359041739,
"volume_molar": 11.027293863211776,
"formula_full": "Y2 Mn2 Si2",
"formula_reduced": "YMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.859913763793103,
"spacegroup": 129
},
{
"id": "jvasp-59861",
"created_at": "2022-09-04T14:38:36.239524Z",
"updated_at": "2022-09-04T14:38:36.239550Z",
"structure_string": "Y2 Mn4 S8\n1.0\n6.625993 -0.108935 -3.492322\n-1.877736 6.410092 -3.390692\n-0.321511 -0.289169 7.477028\nY Mn S\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.370746 0.620747 0.750000 Mn\n0.629253 0.379255 0.250000 Mn\n0.500001 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.742249 0.766738 0.524644 S\n0.742095 0.217609 0.975358 S\n0.238765 0.236103 0.002825 S\n0.257750 0.233262 0.475357 S\n0.266721 0.764059 0.502824 S\n0.257904 0.782393 0.024644 S\n0.733277 0.235940 0.497176 S\n0.761234 0.763898 -0.002824 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mn",
"S"
],
"chemical_system": "Mn-S-Y",
"density": 3.6164014212838778,
"density_atomic": 0.04661461734177954,
"volume": 300.33497641633846,
"volume_molar": 12.918996450931933,
"formula_full": "Y2 Mn4 S8",
"formula_reduced": "Y(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.932111418965517,
"spacegroup": 74
},
{
"id": "jvasp-59874",
"created_at": "2022-09-04T14:37:06.065073Z",
"updated_at": "2022-09-04T14:37:06.065099Z",
"structure_string": "Y2 Mn4 S8\n1.0\n6.364087 -0.000000 -3.341227\n-1.754187 6.117552 -3.341227\n0.026657 0.035375 7.782278\nY Mn S\n2 4 8\ndirect\n0.375001 0.625001 0.750000 Y\n0.624999 0.375000 0.250000 Y\n-0.000000 0.500001 0.000001 Mn\n0.000001 0.000000 0.500000 Mn\n0.500002 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.772122 0.791043 0.544244 S\n0.746799 0.227880 0.955758 S\n0.208959 0.227880 0.955757 S\n0.227879 0.208958 0.455757 S\n0.227877 0.746797 0.455755 S\n0.253201 0.772121 0.044244 S\n0.772122 0.253202 0.544244 S\n0.791042 0.772122 0.044243 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mn",
"S"
],
"chemical_system": "Mn-S-Y",
"density": 3.5670643530383055,
"density_atomic": 0.04597867340494298,
"volume": 304.48899377107557,
"volume_molar": 13.09768271685843,
"formula_full": "Y2 Mn4 S8",
"formula_reduced": "Y(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.9472157046798024,
"spacegroup": 141
},
{
"id": "jvasp-113698",
"created_at": "2022-09-04T14:38:45.727552Z",
"updated_at": "2022-09-04T14:38:45.727569Z",
"structure_string": "Y1 Mn1 O4\n1.0\n-1.926528 1.926528 5.414687\n1.926528 -1.926528 5.414687\n1.926528 1.926528 -5.414687\nY Mn O\n1 1 4\ndirect\n0.750001 0.250000 0.500001 Y\n0.000000 0.000000 0.000000 Mn\n0.979478 0.479477 0.500001 O\n0.831295 0.831295 0.000000 O\n0.520524 0.020523 0.500001 O\n0.168706 0.168706 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 4.293360496361991,
"density_atomic": 0.07463924733061718,
"volume": 80.38666270873269,
"volume_molar": 8.068329967643853,
"formula_full": "Y1 Mn1 O4",
"formula_reduced": "YMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.725484448563219,
"spacegroup": 119
},
{
"id": "jvasp-8233",
"created_at": "2022-09-04T14:36:35.430110Z",
"updated_at": "2022-09-04T14:36:35.430135Z",
"structure_string": "Y1 Mn1 O3\n1.0\n3.795210 0.000000 0.000000\n0.000000 3.795210 0.000000\n0.000000 0.000000 3.795383\nY Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.827278499926681,
"density_atomic": 0.09146243786174095,
"volume": 54.66725047891509,
"volume_molar": 6.584277546924083,
"formula_full": "Y1 Mn1 O3",
"formula_reduced": "YMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.534398638275862,
"spacegroup": 221
},
{
"id": "jvasp-10839",
"created_at": "2022-09-04T14:38:30.908613Z",
"updated_at": "2022-09-04T14:38:30.908631Z",
"structure_string": "Y2 Mn2 O6\n1.0\n1.797484 -3.113334 -0.000000\n1.797484 3.113334 0.000000\n0.000000 0.000000 11.308244\nY Mn O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666666 0.333332 0.750000 Mn\n0.333332 0.666666 0.250000 Mn\n0.333332 0.666666 0.415570 O\n0.666666 0.333332 0.915570 O\n0.666666 0.333332 0.584429 O\n0.333332 0.666666 0.084429 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.033929017895345,
"density_atomic": 0.07901036821999508,
"volume": 126.5656675862613,
"volume_molar": 7.621962655878351,
"formula_full": "Y2 Mn2 O6",
"formula_reduced": "YMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.4919546382758617,
"spacegroup": 194
},
{
"id": "jvasp-59587",
"created_at": "2022-09-04T14:36:52.853482Z",
"updated_at": "2022-09-04T14:36:52.853493Z",
"structure_string": "Y2 Mn2 O6\n1.0\n1.797452 -3.113279 -0.000000\n1.797452 3.113279 0.000000\n0.000000 0.000000 11.308668\nY Mn O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666666 0.333332 0.750000 Mn\n0.333332 0.666666 0.250000 Mn\n0.333332 0.666666 0.415566 O\n0.666666 0.333332 0.915566 O\n0.666666 0.333332 0.584434 O\n0.333332 0.666666 0.084434 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.033918823490495,
"density_atomic": 0.07901020821303469,
"volume": 126.56592389982151,
"volume_molar": 7.621978091441734,
"formula_full": "Y2 Mn2 O6",
"formula_reduced": "YMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.491952638275862,
"spacegroup": 194
}
]
}