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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=708",
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"results": [
{
"id": "jvasp-14964",
"created_at": "2022-09-04T14:35:46.907621Z",
"updated_at": "2022-09-04T14:35:46.907647Z",
"structure_string": "Mn3 Rh1\n1.0\n3.596312 0.000000 -0.000000\n0.000000 3.596312 -0.000000\n0.000000 0.000000 3.596312\nMn Rh\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh",
"density": 9.557784522398222,
"density_atomic": 0.08599791161006534,
"volume": 46.51275740435345,
"volume_molar": 7.002659305618717,
"formula_full": "Mn3 Rh1",
"formula_reduced": "Mn3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9099186810344815,
"spacegroup": 221
},
{
"id": "jvasp-79670",
"created_at": "2022-09-04T14:37:12.916708Z",
"updated_at": "2022-09-04T14:37:12.916735Z",
"structure_string": "Mn1 V2 Re1\n1.0\n-9.208194 1.643675 -2.632243\n-6.449972 1.142567 0.737145\n-5.700792 3.261567 -0.560472\nMn V Re\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.747222 0.007187 0.007189 V\n0.252776 -0.007187 -0.007187 V\n0.499999 -0.000000 0.000001 Re\n",
"nsites": 4,
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"elements": [
"Mn",
"V",
"Re"
],
"chemical_system": "Mn-Re-V",
"density": 10.66375514026683,
"density_atomic": 0.07488441303048907,
"volume": 53.41565538306892,
"volume_molar": 8.04191488761232,
"formula_full": "Mn1 V2 Re1",
"formula_reduced": "MnV2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.981040910344827,
"spacegroup": 12
},
{
"id": "jvasp-79405",
"created_at": "2022-09-04T14:37:12.381465Z",
"updated_at": "2022-09-04T14:37:12.381494Z",
"structure_string": "Ti2 Mn1 Re1\n1.0\n0.000031 3.053913 3.053913\n3.053913 0.000031 3.053913\n3.053913 3.053913 0.000031\nTi Mn Re\n2 1 1\ndirect\n-0.000001 -0.000001 -0.000001 Ti\n0.500007 0.500007 0.500007 Ti\n0.249998 0.249998 0.249998 Mn\n0.749998 0.749998 0.749998 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Re"
],
"chemical_system": "Mn-Re-Ti",
"density": 9.820412484548111,
"density_atomic": 0.07022093799113867,
"volume": 56.9630670627722,
"volume_molar": 8.575990199333347,
"formula_full": "Ti2 Mn1 Re1",
"formula_reduced": "Ti2MnRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.618215477011495,
"spacegroup": 225
},
{
"id": "jvasp-51301",
"created_at": "2022-09-04T14:37:05.446964Z",
"updated_at": "2022-09-04T14:37:05.446986Z",
"structure_string": "Sr1 Mn1 Re2\n1.0\n-0.000015 3.223465 3.223472\n3.223479 -0.000008 3.223465\n3.223478 3.223457 -0.000007\nSr Mn Re\n1 1 2\ndirect\n0.250000 0.250001 0.250000 Sr\n0.500001 0.500001 0.499999 Mn\n0.999998 0.999999 0.000004 Re\n0.750000 0.750001 0.750001 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Re"
],
"chemical_system": "Mn-Re-Sr",
"density": 12.765272980428472,
"density_atomic": 0.05971141268806627,
"volume": 66.98886896037928,
"volume_molar": 10.08540995581497,
"formula_full": "Sr1 Mn1 Re2",
"formula_reduced": "SrMnRe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.623037387844827,
"spacegroup": 216
},
{
"id": "jvasp-103279",
"created_at": "2022-09-04T14:37:13.487787Z",
"updated_at": "2022-09-04T14:37:13.487804Z",
"structure_string": "Mn3 Re1\n1.0\n3.558585 -0.000000 2.054550\n1.186195 3.355066 2.054550\n-0.000000 -0.000000 4.109100\nMn Re\n3 1\ndirect\n0.250001 0.250000 0.250000 Mn\n0.750002 0.750001 0.749999 Mn\n0.500001 0.500001 0.499999 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Re"
],
"chemical_system": "Mn-Re",
"density": 11.881116145552797,
"density_atomic": 0.08153327159534557,
"volume": 49.05972643722965,
"volume_molar": 7.386114456302256,
"formula_full": "Mn3 Re1",
"formula_reduced": "Mn3Re",
"formula_anonymous": "AB3",
"energy_above_hull": 4.926012431034483,
"spacegroup": 225
},
{
"id": "jvasp-15957",
"created_at": "2022-09-04T14:37:04.944673Z",
"updated_at": "2022-09-04T14:37:04.944691Z",
"structure_string": "Rb1 Mn1 Te2\n1.0\n4.180672 -0.000000 -1.206794\n-0.348353 4.166133 -1.206794\n0.009716 0.010562 7.878563\nRb Mn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Mn\n0.352485 0.352484 0.704970 Te\n0.647516 0.647515 0.295031 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Te"
],
"chemical_system": "Mn-Rb-Te",
"density": 4.783528738319591,
"density_atomic": 0.029127055391834158,
"volume": 137.32936426939366,
"volume_molar": 20.675419052790083,
"formula_full": "Rb1 Mn1 Te2",
"formula_reduced": "RbMnTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1601306936781608,
"spacegroup": 119
},
{
"id": "jvasp-87098",
"created_at": "2022-09-04T14:35:42.828701Z",
"updated_at": "2022-09-04T14:35:42.828730Z",
"structure_string": "Rb4 Mn2 Te4\n1.0\n6.508175 -0.000000 -2.765329\n-1.382793 6.720078 -3.254393\n-0.029653 0.048206 8.971342\nRb Mn Te\n4 2 4\ndirect\n0.144397 0.469688 0.288794 Rb\n0.644398 0.819106 0.288794 Rb\n0.855605 0.530313 0.711207 Rb\n0.355604 0.180895 0.711207 Rb\n0.750001 0.000000 0.000000 Mn\n0.250000 0.000000 0.000000 Mn\n0.894939 0.087063 0.789876 Te\n0.105063 0.912938 0.210125 Te\n0.605063 0.297187 0.210125 Te\n0.394939 0.702814 0.789876 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Te"
],
"chemical_system": "Mn-Rb-Te",
"density": 4.065145524099428,
"density_atomic": 0.025444003032499104,
"volume": 393.01991857284423,
"volume_molar": 23.668212711294064,
"formula_full": "Rb4 Mn2 Te4",
"formula_reduced": "Rb2MnTe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7389285549425284,
"spacegroup": 72
},
{
"id": "jvasp-18551",
"created_at": "2022-09-04T14:35:42.223223Z",
"updated_at": "2022-09-04T14:35:42.223243Z",
"structure_string": "Rb1 Mn1 Se2\n1.0\n3.823026 0.000000 -1.111946\n-0.323415 3.809322 -1.111946\n0.126574 0.137775 7.563200\nRb Mn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.249999 0.750000 0.499999 Mn\n0.650246 0.650246 0.300492 Se\n0.349753 0.349754 0.699507 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 4.450257914986702,
"density_atomic": 0.03593396957158113,
"volume": 111.31528321778994,
"volume_molar": 16.75890760691992,
"formula_full": "Rb1 Mn1 Se2",
"formula_reduced": "RbMnSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.338435993678161,
"spacegroup": 119
},
{
"id": "jvasp-115241",
"created_at": "2022-09-04T14:38:45.463036Z",
"updated_at": "2022-09-04T14:38:45.463065Z",
"structure_string": "Rb2 Mn1 Se2\n1.0\n-1.894133 3.899563 5.133597\n1.894133 -3.899563 5.133597\n1.894133 3.899563 -5.133597\nRb Mn Se\n2 1 2\ndirect\n0.311115 0.811116 0.500000 Rb\n0.688885 0.188886 0.499999 Rb\n0.000000 0.000000 0.000000 Mn\n0.783126 0.500001 0.283125 Se\n0.216875 0.500000 0.716875 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 4.201832165651857,
"density_atomic": 0.032965664087788185,
"volume": 151.67296453318536,
"volume_molar": 18.2679188381066,
"formula_full": "Rb2 Mn1 Se2",
"formula_reduced": "Rb2MnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9282947949425284,
"spacegroup": 71
},
{
"id": "jvasp-115243",
"created_at": "2022-09-04T14:38:45.634761Z",
"updated_at": "2022-09-04T14:38:45.634789Z",
"structure_string": "Rb2 Mn1 Se1\n1.0\n-0.000000 4.149443 4.149443\n4.149443 -0.000000 4.149443\n4.149443 4.149443 -0.000000\nRb Mn Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 3.5425222891342614,
"density_atomic": 0.027993718184193703,
"volume": 142.88920012985446,
"volume_molar": 21.512471906644844,
"formula_full": "Rb2 Mn1 Se1",
"formula_reduced": "Rb2MnSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9398551520114942,
"spacegroup": 225
},
{
"id": "jvasp-9578",
"created_at": "2022-09-04T14:37:36.276377Z",
"updated_at": "2022-09-04T14:37:36.276405Z",
"structure_string": "Rb4 Mn6 Se8\n1.0\n5.116105 0.000000 1.683109\n1.960726 8.655568 2.657234\n-0.210568 0.288037 9.257262\nRb Mn Se\n4 6 8\ndirect\n0.749910 0.875245 0.124755 Rb\n0.750091 0.375245 0.624755 Rb\n0.250091 0.124756 0.875244 Rb\n0.249910 0.624755 0.375244 Rb\n0.750000 -0.002478 0.502478 Mn\n0.250001 0.497522 0.002478 Mn\n0.750001 0.750000 0.749999 Mn\n0.750001 0.502479 -0.002479 Mn\n0.250000 0.002479 0.497521 Mn\n0.250000 0.250000 0.250000 Mn\n0.403954 0.219863 0.471155 Se\n0.594972 0.280137 0.028845 Se\n0.905029 0.471155 0.219862 Se\n0.596047 0.780138 0.528844 Se\n0.405029 0.719863 0.971154 Se\n0.903955 0.971156 0.719862 Se\n0.094972 0.528845 0.780137 Se\n0.096046 0.028845 0.280137 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 5.277488397494717,
"density_atomic": 0.0438981749765699,
"volume": 410.0398253368682,
"volume_molar": 13.718430807691306,
"formula_full": "Rb4 Mn6 Se8",
"formula_reduced": "Rb2Mn3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.0932994656449555,
"spacegroup": 72
},
{
"id": "jvasp-87096",
"created_at": "2022-09-04T14:36:11.138089Z",
"updated_at": "2022-09-04T14:36:11.138115Z",
"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 3.8800130824263497,
"density_atomic": 0.0304408179310626,
"volume": 328.50628464210024,
"volume_molar": 19.78311086659354,
"formula_full": "Rb4 Mn2 Se4",
"formula_reduced": "Rb2MnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9042527949425284,
"spacegroup": 72
}
]
}