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=id&page=4634",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4632",
"results": [
{
"id": "jvasp-99860",
"created_at": "2022-09-04T14:36:31.766750Z",
"updated_at": "2022-09-04T14:36:31.766780Z",
"structure_string": "Ca2 Mn2 Sb4\n1.0\n4.370877 0.000000 -0.000000\n0.000000 4.370877 0.000000\n-0.000000 0.000000 10.421046\nCa Mn Sb\n2 2 4\ndirect\n0.000000 0.500000 0.238566 Ca\n0.500000 0.000000 0.761435 Ca\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.649843 Sb\n0.500000 0.000000 0.350157 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Sb"
],
"chemical_system": "Ca-Mn-Sb",
"density": 5.647230647974277,
"density_atomic": 0.04018292099801626,
"volume": 199.0895584816978,
"volume_molar": 14.986816812787952,
"formula_full": "Ca2 Mn2 Sb4",
"formula_reduced": "CaMnSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6522099653448277,
"spacegroup": 129
},
{
"id": "jvasp-99861",
"created_at": "2022-09-04T14:36:31.844905Z",
"updated_at": "2022-09-04T14:36:31.844934Z",
"structure_string": "Mo2 Br6\n1.0\n6.606692 0.000000 0.000000\n-3.303347 5.721563 0.000000\n0.000000 -0.000000 5.995121\nMo Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n-0.000000 0.320230 0.250000 Br\n0.679770 0.679770 0.250000 Br\n-0.000001 0.679770 0.750000 Br\n0.320229 0.320230 0.750000 Br\n0.679770 -0.000000 0.750000 Br\n0.320230 -0.000000 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"Br"
],
"chemical_system": "Br-Mo",
"density": 4.918941237764998,
"density_atomic": 0.03530151053379854,
"volume": 226.61919784822246,
"volume_molar": 17.05915885450356,
"formula_full": "Mo2 Br6",
"formula_reduced": "MoBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.29250955375,
"spacegroup": 193
},
{
"id": "jvasp-99862",
"created_at": "2022-09-04T14:36:32.083195Z",
"updated_at": "2022-09-04T14:36:32.083215Z",
"structure_string": "Tl3 V1 F6\n1.0\n5.576378 -0.000000 3.219523\n1.858793 5.257459 3.219523\n-0.000000 -0.000000 6.439047\nTl V F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 V\n0.786168 0.213832 0.213831 F\n0.213832 0.786168 0.786168 F\n0.213832 0.786168 0.213832 F\n0.786168 0.213832 0.786168 F\n0.213832 0.213832 0.786168 F\n0.786168 0.786168 0.213831 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"V",
"F"
],
"chemical_system": "F-Tl-V",
"density": 6.844231177673042,
"density_atomic": 0.05297247994118318,
"volume": 188.77726719804846,
"volume_molar": 11.368432753547786,
"formula_full": "Tl3 V1 F6",
"formula_reduced": "Tl3VF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99863",
"created_at": "2022-09-04T14:36:32.552039Z",
"updated_at": "2022-09-04T14:36:32.552067Z",
"structure_string": "Ba2 U1 In1 O6\n1.0\n5.290943 0.000000 3.054727\n1.763647 4.988349 3.054727\n-0.000000 -0.000000 6.109455\nBa U In O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 In\n0.751753 0.248247 0.248247 O\n0.248247 0.751754 0.751753 O\n0.248247 0.751754 0.248247 O\n0.751753 0.248247 0.751754 O\n0.248246 0.248247 0.751753 O\n0.751753 0.751754 0.248247 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"U",
"In",
"O"
],
"chemical_system": "Ba-In-O-U",
"density": 7.450640942786584,
"density_atomic": 0.062016551969192,
"volume": 161.2472748399122,
"volume_molar": 9.710537862523575,
"formula_full": "Ba2 U1 In1 O6",
"formula_reduced": "Ba2UInO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.030001891,
"spacegroup": 225
},
{
"id": "jvasp-99864",
"created_at": "2022-09-04T14:36:35.086648Z",
"updated_at": "2022-09-04T14:36:35.086674Z",
"structure_string": "Ba2 Ho1 U1 O6\n1.0\n5.367134 0.000000 3.098716\n1.789044 5.060182 3.098716\n0.000000 0.000000 6.197432\nBa Ho U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.499999 0.500000 0.500001 Ho\n0.000000 0.000000 0.000000 U\n0.754507 0.245492 0.245493 O\n0.245491 0.754508 0.754509 O\n0.245491 0.754508 0.245493 O\n0.754507 0.245492 0.754509 O\n0.245492 0.245492 0.754508 O\n0.754507 0.754508 0.245494 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ho",
"U",
"O"
],
"chemical_system": "Ba-Ho-O-U",
"density": 7.632215399205121,
"density_atomic": 0.059412749891100014,
"volume": 168.31404064496925,
"volume_molar": 10.13610844648366,
"formula_full": "Ba2 Ho1 U1 O6",
"formula_reduced": "Ba2HoUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2051594506666663,
"spacegroup": 225
},
{
"id": "jvasp-99867",
"created_at": "2022-09-04T14:36:35.569483Z",
"updated_at": "2022-09-04T14:36:35.569505Z",
"structure_string": "Nb1 Co1 Pb2 O6\n1.0\n4.833628 -0.000000 2.790696\n1.611210 4.557189 2.790696\n0.000000 -0.000000 5.581393\nNb Co Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.744224 0.255777 0.255777 O\n0.255777 0.744224 0.744223 O\n0.255777 0.744224 0.255777 O\n0.744224 0.255777 0.744223 O\n0.255777 0.255777 0.744223 O\n0.744224 0.744224 0.255777 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nb",
"Co",
"Pb",
"O"
],
"chemical_system": "Co-Nb-O-Pb",
"density": 8.944354412768313,
"density_atomic": 0.08133680943508427,
"volume": 122.94556510703929,
"volume_molar": 7.403954988923351,
"formula_full": "Nb1 Co1 Pb2 O6",
"formula_reduced": "NbCo(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.669677294,
"spacegroup": 225
},
{
"id": "jvasp-99868",
"created_at": "2022-09-04T14:36:32.831164Z",
"updated_at": "2022-09-04T14:36:32.831191Z",
"structure_string": "Ho3 Mg3 Tl3\n1.0\n7.497212 0.000000 -0.000000\n-3.748606 6.492776 0.000000\n-0.000000 0.000000 4.607995\nHo Mg Tl\n3 3 3\ndirect\n0.570890 0.000000 0.000000 Ho\n-0.000000 0.570891 0.000000 Ho\n0.429109 0.429110 0.000000 Ho\n0.243928 0.000000 0.500001 Mg\n-0.000000 0.243928 0.500001 Mg\n0.756071 0.756072 0.500001 Mg\n0.333333 0.666667 0.500001 Tl\n0.666667 0.333333 0.500001 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Tl"
],
"chemical_system": "Ho-Mg-Tl",
"density": 8.741858565215013,
"density_atomic": 0.040123637546869095,
"volume": 224.3066818028886,
"volume_molar": 15.008960124728064,
"formula_full": "Ho3 Mg3 Tl3",
"formula_reduced": "HoMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.020747436111111,
"spacegroup": 189
},
{
"id": "jvasp-99869",
"created_at": "2022-09-04T14:36:33.034996Z",
"updated_at": "2022-09-04T14:36:33.035024Z",
"structure_string": "Mo2 S4 I4\n1.0\n6.665812 -0.021589 1.424698\n-3.238662 5.826198 1.424698\n-0.002363 -0.004002 7.294180\nMo S I\n2 4 4\ndirect\n0.878515 0.121484 0.000000 Mo\n0.121485 0.878516 0.000000 Mo\n0.888093 0.888093 0.296510 S\n0.111908 0.111907 0.703490 S\n0.703157 0.703157 0.145531 S\n0.296843 0.296843 0.854470 S\n0.449962 0.052927 0.236378 I\n0.550039 0.947074 0.763623 I\n0.947074 0.550038 0.763623 I\n0.052927 0.449962 0.236378 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mo",
"S",
"I"
],
"chemical_system": "I-Mo-S",
"density": 4.859630877771579,
"density_atomic": 0.03535500163126963,
"volume": 282.84541192484426,
"volume_molar": 17.03334883931595,
"formula_full": "Mo2 S4 I4",
"formula_reduced": "Mo(SI)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.89127969,
"spacegroup": 12
},
{
"id": "jvasp-9987",
"created_at": "2022-09-04T14:37:19.198666Z",
"updated_at": "2022-09-04T14:37:19.198698Z",
"structure_string": "Ba2 Y1 Ta1 O6\n1.0\n5.209291 -0.000000 3.007586\n1.736431 4.911366 3.007586\n-0.000000 -0.000000 6.015171\nBa Y Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 Ta\n0.263738 0.736263 0.736263 O\n0.263738 0.736263 0.263738 O\n0.736262 0.263738 0.736263 O\n0.263738 0.263738 0.736262 O\n0.736262 0.263738 0.263738 O\n0.736262 0.736263 0.263739 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ta",
"O"
],
"chemical_system": "Ba-O-Ta-Y",
"density": 6.911019779356469,
"density_atomic": 0.0649787128161242,
"volume": 153.89655421919255,
"volume_molar": 9.267867119869495,
"formula_full": "Ba2 Y1 Ta1 O6",
"formula_reduced": "Ba2YTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4824897589999995,
"spacegroup": 225
},
{
"id": "jvasp-99870",
"created_at": "2022-09-04T14:36:33.420447Z",
"updated_at": "2022-09-04T14:36:33.420466Z",
"structure_string": "Ba1 Sr1 Co2 O6\n1.0\n5.562182 0.000000 -0.000000\n-2.781091 4.816991 0.000000\n-0.000000 -0.000000 4.738734\nBa Sr Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.500000 Sr\n0.666667 0.333333 0.248662 Co\n0.666667 0.333333 0.751337 Co\n0.363200 0.181600 0.500000 O\n0.818399 0.181600 0.500000 O\n0.818400 0.636799 0.500000 O\n0.973040 0.486520 0.000000 O\n0.513480 0.486520 0.000000 O\n0.513480 0.026960 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Sr",
"density": 5.739076905607877,
"density_atomic": 0.07876198242974386,
"volume": 126.96480829339278,
"volume_molar": 7.645999471092267,
"formula_full": "Ba1 Sr1 Co2 O6",
"formula_reduced": "BaSr(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.220922508,
"spacegroup": 187
},
{
"id": "jvasp-99871",
"created_at": "2022-09-04T14:36:38.373320Z",
"updated_at": "2022-09-04T14:36:38.373346Z",
"structure_string": "Rb2 Re1 F6\n1.0\n6.040305 0.000000 -0.000000\n-3.020152 5.231057 0.000000\n0.000000 -0.000000 4.715012\nRb Re F\n2 1 6\ndirect\n0.333333 0.666667 0.291644 Rb\n0.666667 0.333333 0.708356 Rb\n0.000000 0.000000 0.000000 Re\n0.839738 0.160262 0.226804 F\n0.160262 0.839739 0.773196 F\n0.839738 0.679478 0.226804 F\n0.160262 0.320522 0.773196 F\n0.320522 0.160262 0.226804 F\n0.679478 0.839739 0.773196 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Re",
"F"
],
"chemical_system": "F-Rb-Re",
"density": 5.251235761123387,
"density_atomic": 0.060410354773799545,
"volume": 148.9810816986523,
"volume_molar": 9.968722717403821,
"formula_full": "Rb2 Re1 F6",
"formula_reduced": "Rb2ReF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.256391077222222,
"spacegroup": 164
},
{
"id": "jvasp-99872",
"created_at": "2022-09-04T14:36:34.075800Z",
"updated_at": "2022-09-04T14:36:34.075821Z",
"structure_string": "Nd3 Mg3 Au3\n1.0\n7.749006 -0.000000 -0.000000\n-3.874502 6.710837 0.000000\n0.000000 -0.000000 4.182462\nNd Mg Au\n3 3 3\ndirect\n0.587304 0.000000 0.000000 Nd\n0.000000 0.587304 0.000000 Nd\n0.412696 0.412696 0.000000 Nd\n0.241858 0.000000 0.500000 Mg\n0.000000 0.241858 0.500000 Mg\n0.758143 0.758143 0.500000 Mg\n0.333334 0.666667 0.500000 Au\n0.666668 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Au"
],
"chemical_system": "Au-Mg-Nd",
"density": 8.371806172051018,
"density_atomic": 0.04137974576885059,
"volume": 217.4977113265622,
"volume_molar": 14.553353695404489,
"formula_full": "Nd3 Mg3 Au3",
"formula_reduced": "NdMgAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1266660399999999,
"spacegroup": 189
}
]
}