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=-created_at&page=1261",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1259",
"results": [
{
"id": "jvasp-37885",
"created_at": "2022-09-04T14:38:06.767774Z",
"updated_at": "2022-09-04T14:38:06.767794Z",
"structure_string": "Ca1 Be1 O3\n1.0\n3.597652 -0.000000 0.000000\n-0.000000 3.597652 0.000000\n-0.000000 -0.000000 3.597652\nCa Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Be",
"O"
],
"chemical_system": "Be-Ca-O",
"density": 3.4622538388379516,
"density_atomic": 0.10737731715179823,
"volume": 46.56476928857843,
"volume_molar": 5.608391902254888,
"formula_full": "Ca1 Be1 O3",
"formula_reduced": "CaBeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.418779404,
"spacegroup": 221
},
{
"id": "jvasp-29296",
"created_at": "2022-09-04T14:38:06.766921Z",
"updated_at": "2022-09-04T14:38:06.766940Z",
"structure_string": "Mo2 P2 O10\n1.0\n4.187744 -0.000000 0.000000\n-0.000000 6.271246 -0.000000\n-0.000000 0.000000 6.271246\nMo P O\n2 2 10\ndirect\n0.804739 0.750000 0.750000 Mo\n0.195259 0.250000 0.250000 Mo\n0.499999 0.750000 0.250000 P\n0.499999 0.250000 0.750000 P\n0.712862 0.799866 0.443711 O\n0.712862 0.056290 0.799866 O\n0.712862 0.443711 0.700135 O\n0.712862 0.700135 0.056290 O\n0.790068 0.250000 0.250000 O\n0.209932 0.750000 0.750000 O\n0.287136 0.299867 0.943710 O\n0.287136 0.200134 0.556290 O\n0.287136 0.943710 0.200134 O\n0.287136 0.556290 0.299867 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 4.172288915890911,
"density_atomic": 0.0850041710546508,
"volume": 164.6978004291005,
"volume_molar": 7.084523836045942,
"formula_full": "Mo2 P2 O10",
"formula_reduced": "MoPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.1191769857142857,
"spacegroup": 85
},
{
"id": "jvasp-77404",
"created_at": "2022-09-04T14:38:06.761326Z",
"updated_at": "2022-09-04T14:38:06.761350Z",
"structure_string": "Sr2 Hg1 Sb1\n1.0\n-6.400714 -4.694855 -11.362119\n-4.322132 -3.112518 -1.915510\n-2.687482 1.510971 -4.746808\nSr Hg Sb\n2 1 1\ndirect\n0.749988 0.000013 0.000014 Sr\n0.250012 -0.000014 -0.000013 Sr\n0.500000 -0.000001 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Sb"
],
"chemical_system": "Hg-Sb-Sr",
"density": 6.439946637905901,
"density_atomic": 0.03117608083262156,
"volume": 128.303490790752,
"volume_molar": 19.316542038531804,
"formula_full": "Sr2 Hg1 Sb1",
"formula_reduced": "Sr2HgSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40770",
"created_at": "2022-09-04T14:38:06.757226Z",
"updated_at": "2022-09-04T14:38:06.757245Z",
"structure_string": "Y1 Cd1 Ga1\n1.0\n4.223800 -0.000000 2.438613\n1.407933 3.982238 2.438613\n-0.000000 0.000000 4.877226\nY Cd Ga\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Cd\n0.499999 0.500000 0.500000 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Y",
"density": 5.486290594864362,
"density_atomic": 0.03656939843785514,
"volume": 82.03580392765016,
"volume_molar": 16.467705287069002,
"formula_full": "Y1 Cd1 Ga1",
"formula_reduced": "YCdGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1604891749999998,
"spacegroup": 216
},
{
"id": "jvasp-37405",
"created_at": "2022-09-04T14:38:06.755447Z",
"updated_at": "2022-09-04T14:38:06.755483Z",
"structure_string": "Tb2 Ag1 Ir1\n1.0\n-0.000000 3.513200 3.513200\n3.513200 -0.000000 3.513200\n3.513200 3.513200 -0.000000\nTb Ag Ir\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 Ag\n0.749999 0.749999 0.749999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir-Tb",
"density": 11.831884092074892,
"density_atomic": 0.0461234063164826,
"volume": 86.723863639936,
"volume_molar": 13.056582852268514,
"formula_full": "Tb2 Ag1 Ir1",
"formula_reduced": "Tb2AgIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.63117879,
"spacegroup": 225
},
{
"id": "jvasp-46355",
"created_at": "2022-09-04T14:38:06.748002Z",
"updated_at": "2022-09-04T14:38:06.748022Z",
"structure_string": "Nb2 V2 O10\n1.0\n6.769639 0.000000 0.000000\n-0.000000 6.769639 0.000000\n-0.000000 -0.000000 4.116649\nNb V O\n2 2 10\ndirect\n0.500000 -0.000000 0.805456 Nb\n0.000000 0.500000 0.194544 Nb\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.958320 0.793119 0.264006 O\n0.206882 0.958320 0.735994 O\n0.500000 -0.000000 0.244701 O\n0.793119 0.041680 0.735994 O\n0.041680 0.206882 0.264006 O\n0.458320 0.293119 0.735994 O\n0.706882 0.458320 0.264006 O\n0.000000 0.500000 0.755299 O\n0.293119 0.541680 0.264006 O\n0.541680 0.706882 0.735994 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"V",
"O"
],
"chemical_system": "Nb-O-V",
"density": 3.9405006121596924,
"density_atomic": 0.07420841857827953,
"volume": 188.65784055527274,
"volume_molar": 8.115171937867778,
"formula_full": "Nb2 V2 O10",
"formula_reduced": "NbVO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.199871585714285,
"spacegroup": 85
},
{
"id": "jvasp-11703",
"created_at": "2022-09-04T14:38:06.746233Z",
"updated_at": "2022-09-04T14:38:06.746261Z",
"structure_string": "Ca2 Mn3 O8\n1.0\n4.746104 0.001988 -1.478684\n-0.860045 5.111562 -2.753599\n-0.001253 -0.000852 6.254269\nCa Mn O\n2 3 8\ndirect\n0.666545 0.724982 0.449963 Ca\n0.333455 0.275019 0.550038 Ca\n0.500001 0.999999 0.000000 Mn\n0.999999 0.740782 0.000001 Mn\n0.999998 0.259219 0.000001 Mn\n0.041439 0.396623 0.793248 O\n0.958562 0.603376 0.206753 O\n0.097648 0.903047 0.806093 O\n0.902353 0.096953 0.193907 O\n0.391857 0.323328 0.201277 O\n0.391858 0.877949 0.201277 O\n0.608144 0.122051 0.798724 O\n0.608145 0.676673 0.798724 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.082080641596522,
"density_atomic": 0.08568550611712716,
"volume": 151.71760766902335,
"volume_molar": 7.0281906857947245,
"formula_full": "Ca2 Mn3 O8",
"formula_reduced": "Ca2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.7572623510875327,
"spacegroup": 12
},
{
"id": "jvasp-48230",
"created_at": "2022-09-04T14:38:06.735740Z",
"updated_at": "2022-09-04T14:38:06.735753Z",
"structure_string": "Li4 Cr3 Co3 Ni2 O16\n1.0\n5.637329 -0.018828 -0.064784\n-2.789239 -4.899075 0.064317\n0.105433 0.062074 -9.283759\nLi Cr Co Ni O\n4 3 3 2 16\ndirect\n0.330680 0.669300 0.891559 Li\n0.008782 0.991193 0.996490 Li\n0.012295 0.987665 0.495868 Li\n0.658863 0.341127 0.398108 Li\n0.166121 0.347346 0.210755 Cr\n0.652638 0.833870 0.210755 Cr\n0.833644 0.166330 0.707021 Cr\n0.345894 0.165528 0.715080 Co\n0.834444 0.654080 0.715079 Co\n0.170192 0.829796 0.212282 Co\n0.331870 0.668108 0.490650 Ni\n0.665380 0.334602 0.984717 Ni\n0.835592 0.164393 0.103203 O\n0.328840 0.167819 0.103340 O\n0.669919 0.330053 0.602707 O\n0.959018 0.477578 0.841075 O\n0.522401 0.040959 0.841076 O\n0.167338 0.832633 0.604313 O\n0.474941 0.970064 0.337010 O\n0.474007 0.525985 0.341189 O\n0.678292 0.836023 0.607501 O\n0.003593 0.996384 0.809984 O\n-0.004200 0.004191 0.308112 O\n0.333537 0.666445 0.096439 O\n0.519586 0.480389 0.835658 O\n0.163943 0.321669 0.607502 O\n0.029931 0.525054 0.337014 O\n0.832163 0.671143 0.103340 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Cr-Li-Ni-O",
"density": 4.74507097088571,
"density_atomic": 0.10901783361762848,
"volume": 256.8387122625075,
"volume_molar": 5.523995992364138,
"formula_full": "Li4 Cr3 Co3 Ni2 O16",
"formula_reduced": "Li4Cr3Co3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.040720560714285,
"spacegroup": 8
},
{
"id": "jvasp-14783",
"created_at": "2022-09-04T14:38:06.733587Z",
"updated_at": "2022-09-04T14:38:06.733610Z",
"structure_string": "Tm1 Au2\n1.0\n3.449737 0.000000 -1.306912\n-0.495116 3.414022 -1.306912\n-0.008227 -0.009506 5.184718\nTm Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.664025 0.664025 0.328051 Au\n0.335973 0.335973 0.671950 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"Au"
],
"chemical_system": "Au-Tm",
"density": 15.328080607934652,
"density_atomic": 0.049198728276653454,
"volume": 60.97718589656324,
"volume_molar": 12.240439887259688,
"formula_full": "Tm1 Au2",
"formula_reduced": "TmAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.33536313,
"spacegroup": 139
},
{
"id": "jvasp-43070",
"created_at": "2022-09-04T14:38:06.733052Z",
"updated_at": "2022-09-04T14:38:06.733076Z",
"structure_string": "Li4 Mn2 F8\n1.0\n2.933193 0.000000 0.000000\n-1.466596 4.748175 0.000000\n0.000000 -0.000000 9.733823\nLi Mn F\n4 2 8\ndirect\n0.374542 0.749087 0.438113 Li\n0.374542 0.749087 0.061887 Li\n0.625457 0.250914 0.561887 Li\n0.625457 0.250914 0.938113 Li\n0.119499 0.238999 0.250000 Mn\n0.880499 0.761002 0.750000 Mn\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.458215 0.916436 0.250000 F\n0.276855 0.553713 0.617227 F\n0.276855 0.553713 0.882772 F\n0.541783 0.083565 0.750000 F\n0.723143 0.446288 0.117227 F\n0.723143 0.446288 0.382772 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.547625883098554,
"density_atomic": 0.10327072690967751,
"volume": 135.56600615627175,
"volume_molar": 5.831411223886393,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4199054816256155,
"spacegroup": 63
},
{
"id": "jvasp-37496",
"created_at": "2022-09-04T14:38:06.726358Z",
"updated_at": "2022-09-04T14:38:06.726387Z",
"structure_string": "Yb1 Ac1 Ga2\n1.0\n-0.000000 3.783295 3.783295\n3.783295 0.000000 3.783295\n3.783295 3.783295 0.000000\nYb Ac Ga\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.249999 0.249999 0.249999 Ac\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.500001 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ac",
"Ga"
],
"chemical_system": "Ac-Ga-Yb",
"density": 8.271583560791258,
"density_atomic": 0.03693340737546566,
"volume": 108.30303197687478,
"volume_molar": 16.305402582488025,
"formula_full": "Yb1 Ac1 Ga2",
"formula_reduced": "AcYbGa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-47210",
"created_at": "2022-09-04T14:38:06.726012Z",
"updated_at": "2022-09-04T14:38:06.726044Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n4.814993 0.024226 0.047645\n-0.044148 7.381088 0.010020\n-0.082511 0.007873 7.858230\nBa Ca I\n1 1 4\ndirect\n0.514447 0.003099 0.505477 Ba\n0.014616 0.502971 0.005558 Ca\n0.014209 0.726690 0.669134 I\n0.014687 0.279833 0.342349 I\n0.515040 0.742141 0.140433 I\n0.514086 0.263774 0.870784 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.0724508819647385,
"density_atomic": 0.02148092261489404,
"volume": 279.3176116113296,
"volume_molar": 28.034832897840623,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0067916666666666,
"spacegroup": 10
}
]
}