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=density&page=1254",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1252",
"results": [
{
"id": "jvasp-92764",
"created_at": "2022-09-04T14:35:51.148566Z",
"updated_at": "2022-09-04T14:35:51.148591Z",
"structure_string": "K1 V1 O3\n1.0\n3.825438 0.000000 0.000000\n-0.000000 3.825438 0.000000\n-0.000000 0.000000 3.825438\nK V O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"V",
"O"
],
"chemical_system": "K-O-V",
"density": 4.094531842356376,
"density_atomic": 0.08931543165466554,
"volume": 55.98136746774393,
"volume_molar": 6.742553496560775,
"formula_full": "K1 V1 O3",
"formula_reduced": "KVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.80469054,
"spacegroup": 221
},
{
"id": "jvasp-109349",
"created_at": "2022-09-04T14:38:27.533725Z",
"updated_at": "2022-09-04T14:38:27.533746Z",
"structure_string": "Y2 Te1 S2\n1.0\n4.979562 -0.003210 -5.609635\n-0.476250 3.987576 -6.335336\n0.036847 0.003210 7.500846\nY Te S\n2 1 2\ndirect\n0.832661 0.332661 0.500000 Y\n0.167340 0.667340 0.500001 Y\n0.000000 0.000000 0.000000 Te\n0.700551 0.700552 -0.000000 S\n0.299449 0.299449 -0.000000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Te",
"S"
],
"chemical_system": "S-Te-Y",
"density": 4.094662316806295,
"density_atomic": 0.0333638028468732,
"volume": 149.8630124074298,
"volume_molar": 18.049923108703375,
"formula_full": "Y2 Te1 S2",
"formula_reduced": "Y2TeS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8383017333333331,
"spacegroup": 71
},
{
"id": "jvasp-56593",
"created_at": "2022-09-04T14:37:07.849547Z",
"updated_at": "2022-09-04T14:37:07.849564Z",
"structure_string": "Si3 As4\n1.0\n5.379778 0.000000 0.000000\n0.000000 5.379778 0.000000\n0.000000 -0.000000 5.379800\nSi As\n3 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.721365 0.721365 0.778629 As\n0.278635 0.278635 0.778629 As\n0.721365 0.278635 0.221371 As\n0.278635 0.721365 0.221371 As\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Si",
"As"
],
"chemical_system": "As-Si",
"density": 4.094688780983935,
"density_atomic": 0.04495760841312532,
"volume": 155.7022325492821,
"volume_molar": 13.395153729400436,
"formula_full": "Si3 As4",
"formula_reduced": "Si3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.0425889714285708,
"spacegroup": 215
},
{
"id": "jvasp-47042",
"created_at": "2022-09-04T14:38:05.235780Z",
"updated_at": "2022-09-04T14:38:05.235789Z",
"structure_string": "Li4 Ni6 O2 F12\n1.0\n5.936987 -0.012280 -0.015637\n1.226637 6.397921 -0.008743\n2.758430 2.635522 6.819575\nLi Ni O F\n4 6 2 12\ndirect\n0.316242 0.855821 0.468467 Li\n0.126164 0.301043 0.069490 Li\n0.873837 0.698957 0.930510 Li\n0.683759 0.144179 0.531532 Li\n0.781474 0.569613 0.655451 Ni\n0.925483 0.837172 0.220107 Ni\n0.352382 0.726055 0.931193 Ni\n0.647620 0.273945 0.068806 Ni\n0.074519 0.162828 0.779892 Ni\n0.218528 0.430386 0.344548 Ni\n0.068615 0.584993 0.136261 O\n0.931386 0.415006 0.863738 O\n0.539663 0.562959 0.133972 F\n0.095640 0.705700 0.436821 F\n0.460338 0.437041 0.866028 F\n0.626712 0.719543 0.438502 F\n0.771672 0.986783 0.000596 F\n0.173145 0.863522 0.727654 F\n0.323319 0.153458 0.269960 F\n0.676682 0.846542 0.730039 F\n0.826856 0.136478 0.272346 F\n0.228329 0.013217 0.999404 F\n0.373290 0.280457 0.561497 F\n0.904361 0.294300 0.563179 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.094702615566464,
"density_atomic": 0.09248465038524,
"volume": 259.5025217701451,
"volume_molar": 6.511502973644909,
"formula_full": "Li4 Ni6 O2 F12",
"formula_reduced": "Li2Ni3OF6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 0.4472335329166667,
"spacegroup": 2
},
{
"id": "jvasp-35748",
"created_at": "2022-09-04T14:37:28.914163Z",
"updated_at": "2022-09-04T14:37:28.914186Z",
"structure_string": "Al2 Sb2\n1.0\n2.193487 -3.799230 -0.000000\n2.193487 3.799230 0.000000\n0.000000 -0.000000 7.238138\nAl Sb\n2 2\ndirect\n0.666668 0.333334 0.499248 Al\n0.333334 0.666668 -0.000752 Al\n0.666668 0.333334 0.125652 Sb\n0.333334 0.666668 0.625653 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Sb"
],
"chemical_system": "Al-Sb",
"density": 4.094716677091791,
"density_atomic": 0.03315679055411874,
"volume": 120.63893800189052,
"volume_molar": 18.162616644607446,
"formula_full": "Al2 Sb2",
"formula_reduced": "AlSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.9811144500000002,
"spacegroup": 186
},
{
"id": "jvasp-48458",
"created_at": "2022-09-04T14:36:21.253831Z",
"updated_at": "2022-09-04T14:36:21.253861Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 5.804903 -0.010893\n4.791449 0.000000 0.000000\n0.000000 -0.283571 -8.041623\nMn O F\n6 2 10\ndirect\n0.410142 0.471711 0.668240 Mn\n0.745848 0.517985 0.015828 Mn\n0.064633 0.518021 0.327104 Mn\n0.935367 0.018021 0.672896 Mn\n0.589857 0.971711 0.331759 Mn\n0.254152 0.017984 0.984171 Mn\n0.220496 0.193607 0.771777 O\n0.779504 0.693607 0.228222 O\n0.281925 0.812302 0.214473 F\n0.445917 0.702331 0.898158 F\n0.126885 0.695834 0.562128 F\n0.375412 0.292230 0.423942 F\n0.554083 0.202331 0.101841 F\n0.718075 0.312302 0.785526 F\n0.873115 0.195834 0.437871 F\n0.944728 0.795981 0.900905 F\n0.055272 0.295981 0.099094 F\n0.624587 0.792230 0.576057 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.0949425473867676,
"density_atomic": 0.08047078207537,
"volume": 223.68367171007435,
"volume_molar": 7.48363642639832,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6363451818486592,
"spacegroup": 4
},
{
"id": "jvasp-100710",
"created_at": "2022-09-04T14:37:06.413710Z",
"updated_at": "2022-09-04T14:37:06.413747Z",
"structure_string": "Ca2 Zn1 In1\n1.0\n4.594484 -0.000000 2.652627\n1.531495 4.331721 2.652627\n-0.000000 -0.000000 5.305253\nCa Zn In\n2 1 1\ndirect\n0.749999 0.750000 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"In"
],
"chemical_system": "Ca-In-Zn",
"density": 4.095042413530311,
"density_atomic": 0.03788407360076802,
"volume": 105.58526630881923,
"volume_molar": 15.896233397344876,
"formula_full": "Ca2 Zn1 In1",
"formula_reduced": "Ca2ZnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-122036",
"created_at": "2022-09-04T14:38:54.034052Z",
"updated_at": "2022-09-04T14:38:54.034081Z",
"structure_string": "Sr4 H4 N4\n1.0\n3.950152 -0.000000 0.000000\n0.000000 5.599184 0.000000\n0.000000 -0.000000 7.526595\nSr H N\n4 4 4\ndirect\n0.750000 0.190233 0.351821 Sr\n0.750000 0.309767 0.851821 Sr\n0.250000 0.690232 0.148179 Sr\n0.250000 0.809767 0.648178 Sr\n0.250000 0.106382 0.016240 H\n0.250000 0.393617 0.516239 H\n0.750000 0.606382 0.483760 H\n0.750000 0.893617 0.983760 H\n0.250000 0.235296 0.115413 N\n0.250000 0.264704 0.615412 N\n0.750000 0.735296 0.384587 N\n0.750000 0.764704 0.884587 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"H",
"N"
],
"chemical_system": "H-N-Sr",
"density": 4.095113636350452,
"density_atomic": 0.07208487530570666,
"volume": 166.47042738312138,
"volume_molar": 8.354236217320961,
"formula_full": "Sr4 H4 N4",
"formula_reduced": "SrHN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.843199853333333,
"spacegroup": 62
},
{
"id": "jvasp-50717",
"created_at": "2022-09-04T14:36:06.236437Z",
"updated_at": "2022-09-04T14:36:06.236465Z",
"structure_string": "Ba2 Ga1 P4 H1 O14\n1.0\n4.812250 0.028956 -0.002488\n-2.024099 7.308031 0.013699\n-1.078113 -3.069548 7.975356\nBa Ga P H O\n2 1 4 1 14\ndirect\n0.144707 0.475161 0.740851 Ba\n0.855294 0.524839 0.259150 Ba\n0.000000 0.000000 0.000000 Ga\n0.456313 0.814811 0.138574 P\n0.626536 0.828159 0.624593 P\n0.373465 0.171841 0.375407 P\n0.543688 0.185189 0.861427 P\n0.000000 -0.000000 0.500000 H\n0.579978 0.041547 0.688131 O\n0.783803 0.865018 0.133452 O\n0.845956 0.850859 0.510811 O\n0.655912 0.391088 0.860140 O\n0.750815 0.792725 0.782894 O\n0.249186 0.207276 0.217106 O\n0.420022 0.958453 0.311869 O\n0.154045 0.149142 0.489190 O\n0.216198 0.134982 0.866548 O\n0.664384 0.329921 0.469050 O\n0.335617 0.670079 0.530950 O\n0.265366 0.839599 0.994158 O\n0.344089 0.608912 0.139860 O\n0.734635 0.160401 0.005842 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Ba",
"Ga",
"P",
"H",
"O"
],
"chemical_system": "Ba-Ga-H-O-P",
"density": 4.0951782816238715,
"density_atomic": 0.07826056781525594,
"volume": 281.11219499370117,
"volume_molar": 7.6949873072937995,
"formula_full": "Ba2 Ga1 P4 H1 O14",
"formula_reduced": "Ba2GaP4HO14",
"formula_anonymous": "ABC2D4E14",
"energy_above_hull": 2.617420239318182,
"spacegroup": 2
},
{
"id": "jvasp-68856",
"created_at": "2022-09-04T14:36:03.526766Z",
"updated_at": "2022-09-04T14:36:03.526797Z",
"structure_string": "Mg1 Be1 Te1\n1.0\n1.903696 -3.297297 0.000000\n1.903696 3.297297 -0.000000\n-0.000000 -0.000000 5.197359\nMg Be Te\n1 1 1\ndirect\n0.666668 0.333334 0.292522 Mg\n0.000000 0.000000 0.956781 Be\n0.333334 0.666668 0.750697 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Te"
],
"chemical_system": "Be-Mg-Te",
"density": 4.09527565268716,
"density_atomic": 0.04597829666195446,
"volume": 65.24817615704329,
"volume_molar": 13.09779003836635,
"formula_full": "Mg1 Be1 Te1",
"formula_reduced": "MgBeTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5742384666666668,
"spacegroup": 156
},
{
"id": "jvasp-70965",
"created_at": "2022-09-04T14:36:00.954878Z",
"updated_at": "2022-09-04T14:36:00.954896Z",
"structure_string": "Be1 Fe1 P2\n1.0\n2.797813 0.000000 -0.000000\n0.000000 2.797813 0.000000\n-0.000000 0.000000 6.568406\nBe Fe P\n1 1 2\ndirect\n0.000000 0.000000 0.536762 Be\n0.499999 0.499999 0.714915 Fe\n0.000000 0.000000 0.902483 P\n0.499999 0.499999 0.345840 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"P"
],
"chemical_system": "Be-Fe-P",
"density": 4.095313115373692,
"density_atomic": 0.07779696140166073,
"volume": 51.41588987451908,
"volume_molar": 7.740843153125316,
"formula_full": "Be1 Fe1 P2",
"formula_reduced": "BeFeP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.79551565,
"spacegroup": 99
},
{
"id": "jvasp-66848",
"created_at": "2022-09-04T14:35:45.771172Z",
"updated_at": "2022-09-04T14:35:45.771198Z",
"structure_string": "Be1 Ni1 Cl1\n1.0\n-1.445771 1.445771 5.002657\n1.445771 -1.445771 5.002657\n1.445771 1.445771 -5.002657\nBe Ni Cl\n1 1 1\ndirect\n0.013484 0.013484 0.000000 Be\n0.614117 0.614117 0.000000 Ni\n0.372400 0.372400 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Cl"
],
"chemical_system": "Be-Cl-Ni",
"density": 4.095384897168159,
"density_atomic": 0.07172350718909973,
"volume": 41.827290906041036,
"volume_molar": 8.396327781521569,
"formula_full": "Be1 Ni1 Cl1",
"formula_reduced": "BeNiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9240508558333334,
"spacegroup": 107
}
]
}