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=volume&page=3656",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3654",
"results": [
{
"id": "jvasp-85366",
"created_at": "2022-09-04T14:35:55.667022Z",
"updated_at": "2022-09-04T14:35:55.667057Z",
"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.133066 -0.153092 3.285873\n1.783807 5.730518 3.545344\n-0.189350 0.148647 6.966177\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.711122 0.756053 0.755619 K\n0.288912 0.243954 0.244342 K\n-0.000001 -0.000005 -0.000003 Fe\n0.499978 0.500020 0.500018 Cu\n0.090671 0.823484 0.822994 C\n0.909324 0.176508 0.177009 C\n0.219651 0.778602 0.154496 C\n0.780499 0.845327 0.221166 C\n0.780353 0.221393 0.845499 C\n0.219500 0.154672 0.778826 C\n0.629446 0.355544 0.765708 N\n0.854010 0.285540 0.286380 N\n0.370329 0.234573 0.644808 N\n0.629663 0.765437 0.355197 N\n0.145993 0.714442 0.713631 N\n0.370555 0.644473 0.234298 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"K",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-K-N",
"density": 2.367837024041673,
"density_atomic": 0.06450560537618591,
"volume": 248.0404595335657,
"volume_molar": 9.335841009288854,
"formula_full": "K2 Fe1 Cu1 C6 N6",
"formula_reduced": "K2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.321238215625,
"spacegroup": 12
},
{
"id": "jvasp-31190",
"created_at": "2022-09-04T14:38:34.648895Z",
"updated_at": "2022-09-04T14:38:34.648923Z",
"structure_string": "Ba1 Ga2 Te4\n1.0\n6.781578 0.019725 0.019725\n3.372581 6.057627 0.009820\n3.372581 0.009820 6.057627\nBa Ga Te\n1 2 4\ndirect\n0.750001 -0.000009 0.000007 Ba\n0.250000 0.500029 0.499971 Ga\n0.750000 0.500016 0.499983 Ga\n0.170928 0.499957 0.158071 Te\n0.329072 0.841929 0.500044 Te\n0.670865 0.158115 0.500040 Te\n0.829135 0.499959 0.841885 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Te"
],
"chemical_system": "Ba-Ga-Te",
"density": 5.269764125583258,
"density_atomic": 0.02822083956520283,
"volume": 248.04364816386317,
"volume_molar": 21.339339483809994,
"formula_full": "Ba1 Ga2 Te4",
"formula_reduced": "Ba(GaTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3444493749999997,
"spacegroup": 97
},
{
"id": "jvasp-22547",
"created_at": "2022-09-04T14:37:29.700898Z",
"updated_at": "2022-09-04T14:37:29.700909Z",
"structure_string": "Ba1 Ga2 Te4\n1.0\n6.781679 0.019675 0.019675\n3.372586 6.057560 0.009823\n3.372586 0.009823 6.057560\nBa Ga Te\n1 2 4\ndirect\n0.750001 -0.000008 0.000007 Ba\n0.250001 0.500028 0.499971 Ga\n0.750002 0.500017 0.499982 Ga\n0.170928 0.499956 0.158071 Te\n0.329075 0.841928 0.500043 Te\n0.670864 0.158116 0.500041 Te\n0.829140 0.499957 0.841883 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Te"
],
"chemical_system": "Ba-Ga-Te",
"density": 5.269758841157385,
"density_atomic": 0.028220811265846125,
"volume": 248.04389689787763,
"volume_molar": 21.33936088254209,
"formula_full": "Ba1 Ga2 Te4",
"formula_reduced": "Ba(GaTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3444493749999997,
"spacegroup": 97
},
{
"id": "jvasp-9373",
"created_at": "2022-09-04T14:38:31.375282Z",
"updated_at": "2022-09-04T14:38:31.375313Z",
"structure_string": "Na8 Ge2 O8\n1.0\n5.707978 -0.000650 0.007868\n2.127569 5.311143 0.015008\n2.766079 0.278844 8.186115\nNa Ge O\n8 2 8\ndirect\n0.979382 0.234216 0.065529 Na\n0.448136 0.739991 0.103608 Na\n0.891082 0.772008 0.319515 Na\n0.258395 0.743208 0.512346 Na\n0.741605 0.256791 0.487655 Na\n0.551865 0.260007 0.896393 Na\n0.020619 0.765783 0.934472 Na\n0.108918 0.227990 0.680486 Na\n0.657127 0.779173 0.744345 Ge\n0.342874 0.220826 0.255656 Ge\n0.335855 0.971668 0.862529 O\n0.797065 0.524444 0.875918 O\n0.202936 0.475554 0.124083 O\n0.861780 0.970793 0.695200 O\n0.138221 0.029206 0.304801 O\n0.647090 0.654824 0.570973 O\n0.664146 0.028331 0.137472 O\n0.352911 0.345175 0.429028 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Ge",
"O"
],
"chemical_system": "Ge-Na-O",
"density": 3.060674064921433,
"density_atomic": 0.07256723610430711,
"volume": 248.04582572398178,
"volume_molar": 8.29870487466804,
"formula_full": "Na8 Ge2 O8",
"formula_reduced": "Na4GeO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.793171772222222,
"spacegroup": 2
},
{
"id": "jvasp-112279",
"created_at": "2022-09-04T14:38:26.217049Z",
"updated_at": "2022-09-04T14:38:26.217083Z",
"structure_string": "Li8 Mn6 O14\n1.0\n4.838036 0.014506 1.205296\n1.134024 6.745360 0.811577\n-0.008598 0.009997 7.603250\nLi Mn O\n8 6 14\ndirect\n0.707826 0.060323 0.568821 Li\n0.837607 0.762665 0.285505 Li\n0.577770 0.354997 0.849204 Li\n0.422229 0.645004 0.150797 Li\n0.292174 0.939678 0.431180 Li\n0.162392 0.237336 0.714496 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.646834 0.235364 0.222392 Mn\n0.353165 0.764637 0.777609 Mn\n0.783047 0.925514 0.927492 Mn\n0.073228 0.370852 0.359188 Mn\n0.926771 0.629149 0.640813 Mn\n0.216953 0.074487 0.072509 Mn\n0.392177 0.220052 0.450472 O\n0.531878 0.926741 0.164189 O\n0.668514 0.639742 0.873127 O\n0.975168 0.103440 0.317371 O\n0.845513 0.378961 0.599076 O\n0.900076 0.211662 0.981283 O\n0.024831 0.896561 0.682630 O\n0.331485 0.360259 0.126874 O\n0.468122 0.073260 0.835812 O\n0.773635 0.491580 0.255632 O\n0.607823 0.779949 0.549529 O\n0.226364 0.508421 0.744369 O\n0.154487 0.621040 0.400925 O\n0.099924 0.788339 0.018718 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.077931083488122,
"density_atomic": 0.11288236140089938,
"volume": 248.04583862804373,
"volume_molar": 5.334881982679732,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7080311588669947,
"spacegroup": 2
},
{
"id": "jvasp-100925",
"created_at": "2022-09-04T14:36:44.490202Z",
"updated_at": "2022-09-04T14:36:44.490225Z",
"structure_string": "Na2 Li1 In1 Cl6\n1.0\n6.107886 -0.000000 3.526390\n2.035962 5.758570 3.526390\n-0.000000 0.000000 7.052779\nNa Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.748233 0.251768 0.251767 Cl\n0.251768 0.251768 0.748233 Cl\n0.251767 0.748232 0.748233 Cl\n0.251767 0.748232 0.251768 Cl\n0.748233 0.251768 0.748232 Cl\n0.748233 0.748232 0.251768 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"In",
"Cl"
],
"chemical_system": "Cl-In-Li-Na",
"density": 2.5467616495149663,
"density_atomic": 0.04031198201744223,
"volume": 248.0652029382527,
"volume_molar": 14.938835697521233,
"formula_full": "Na2 Li1 In1 Cl6",
"formula_reduced": "Na2LiInCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-59282",
"created_at": "2022-09-04T14:38:08.963815Z",
"updated_at": "2022-09-04T14:38:08.963829Z",
"structure_string": "Li2 Ca2 Pr2 Te2 O12\n1.0\n0.000000 5.529126 0.005841\n5.728677 0.000000 0.000000\n0.000000 -5.446725 -7.837636\nLi Ca Pr Te O\n2 2 2 2 12\ndirect\n0.500260 0.264049 0.001530 Li\n0.500260 0.735952 0.501531 Li\n0.263462 0.694887 0.750452 Ca\n0.263462 0.305113 0.250452 Ca\n0.734139 0.192072 0.748039 Pr\n0.734139 0.807928 0.248039 Pr\n0.999382 0.743671 0.999236 Te\n0.999382 0.256329 0.499235 Te\n0.669040 0.064827 0.454239 O\n0.330148 0.555434 0.044923 O\n0.763469 0.535858 0.450694 O\n0.149099 0.284410 0.739547 O\n0.854505 0.224320 0.260097 O\n0.763469 0.464142 0.950694 O\n0.669040 0.935174 0.954239 O\n0.330147 0.444567 0.544923 O\n0.236499 0.027832 0.051247 O\n0.149100 0.715591 0.239547 O\n0.236499 0.972169 0.551247 O\n0.854505 0.775680 0.760097 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Pr",
"Te",
"O"
],
"chemical_system": "Ca-Li-O-Pr-Te",
"density": 5.509298423793157,
"density_atomic": 0.08062190102934466,
"volume": 248.0715505916987,
"volume_molar": 7.469608981073354,
"formula_full": "Li2 Ca2 Pr2 Te2 O12",
"formula_reduced": "LiCaPrTeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 1.8250459036666664,
"spacegroup": 7
},
{
"id": "jvasp-10013",
"created_at": "2022-09-04T14:38:32.995103Z",
"updated_at": "2022-09-04T14:38:32.995137Z",
"structure_string": "K4 Ge4 N4 O4\n1.0\n5.280893 0.000000 0.000000\n0.000000 5.777669 0.000000\n0.000000 0.000000 8.130564\nK Ge N O\n4 4 4 4\ndirect\n0.023709 0.045645 0.636495 K\n0.523709 0.454355 0.636495 K\n0.523709 0.954355 0.363504 K\n0.023709 0.545645 0.363504 K\n0.992964 0.089293 0.096293 Ge\n0.492964 0.910707 0.903707 Ge\n0.492964 0.410707 0.096293 Ge\n0.992964 0.589293 0.903707 Ge\n0.647067 0.625869 0.955728 N\n0.147068 0.374131 0.044272 N\n0.147068 0.874131 0.955728 N\n0.647067 0.125869 0.044272 N\n0.528257 0.974605 0.692898 O\n0.528257 0.474605 0.307102 O\n0.028257 0.525395 0.692898 O\n0.028257 0.025395 0.307102 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Ge",
"N",
"O"
],
"chemical_system": "Ge-K-N-O",
"density": 3.795196792160138,
"density_atomic": 0.06449696581222845,
"volume": 248.07368530453323,
"volume_molar": 9.337091573474018,
"formula_full": "K4 Ge4 N4 O4",
"formula_reduced": "KGeNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.5692601749999997,
"spacegroup": 29
},
{
"id": "jvasp-44730",
"created_at": "2022-09-04T14:38:12.537490Z",
"updated_at": "2022-09-04T14:38:12.537510Z",
"structure_string": "Li4 Fe5 Co3 O16\n1.0\n5.622854 0.005379 0.033894\n-2.800426 4.857887 0.000283\n-0.039746 -0.023645 9.076609\nLi Fe Co O\n4 5 3 16\ndirect\n0.663554 0.331783 0.105568 Li\n0.997469 0.998741 0.001622 Li\n0.999459 0.999748 0.503673 Li\n0.333363 0.666696 0.607571 Li\n0.668219 0.334125 0.513416 Fe\n0.343579 0.171799 0.788849 Fe\n0.332487 0.666252 0.008291 Fe\n0.170126 0.825241 0.286558 Fe\n0.170127 0.344912 0.286557 Fe\n0.659146 0.829586 0.287926 Co\n0.827697 0.657784 0.788253 Co\n0.827697 0.169934 0.788253 Co\n0.664068 0.832045 0.901750 O\n0.169949 0.834787 0.898402 O\n0.333693 0.666860 0.397866 O\n0.476815 0.519797 0.158580 O\n0.476811 0.957038 0.158578 O\n0.334731 0.167380 0.398357 O\n0.520834 0.042098 0.657459 O\n0.958772 0.479393 0.659101 O\n0.836543 0.172231 0.400179 O\n0.002123 0.001076 0.193334 O\n0.002209 0.001110 0.694543 O\n0.665431 0.332731 0.897166 O\n0.037765 0.518897 0.154244 O\n0.836544 0.664344 0.400183 O\n0.520829 0.478757 0.657463 O\n0.169946 0.335178 0.898406 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.951860011067761,
"density_atomic": 0.11286916248122107,
"volume": 248.0748451080124,
"volume_molar": 5.3355058437701715,
"formula_full": "Li4 Fe5 Co3 O16",
"formula_reduced": "Li4Fe5Co3O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.0775637928571427,
"spacegroup": 8
},
{
"id": "jvasp-64626",
"created_at": "2022-09-04T14:36:05.896435Z",
"updated_at": "2022-09-04T14:36:05.896468Z",
"structure_string": "Ba4 Ca1 Mo1\n1.0\n0.000000 4.987160 4.987160\n4.987160 -0.000000 4.987160\n4.987160 4.987160 -0.000000\nBa Ca Mo\n4 1 1\ndirect\n0.119594 0.626802 0.626802 Ba\n0.626802 0.626802 0.626802 Ba\n0.626802 0.119594 0.626802 Ba\n0.626802 0.626802 0.119594 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mo"
],
"chemical_system": "Ba-Ca-Mo",
"density": 4.587292207880256,
"density_atomic": 0.024185849705967204,
"volume": 248.07894173425143,
"volume_molar": 24.899438445258344,
"formula_full": "Ba4 Ca1 Mo1",
"formula_reduced": "Ba4CaMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.030580033333333,
"spacegroup": 216
},
{
"id": "jvasp-99418",
"created_at": "2022-09-04T14:36:39.171499Z",
"updated_at": "2022-09-04T14:36:39.171517Z",
"structure_string": "Ba2 Cd6\n1.0\n7.459906 -0.085995 0.000000\n-3.647627 6.507873 0.000000\n-0.000000 -0.000000 5.143227\nBa Cd\n2 6\ndirect\n0.333479 0.666521 0.250000 Ba\n0.666521 0.333480 0.750000 Ba\n0.142023 0.284322 0.750000 Cd\n0.715679 0.857978 0.750000 Cd\n0.142177 0.857822 0.750000 Cd\n0.857978 0.715679 0.250000 Cd\n0.284322 0.142023 0.250000 Cd\n0.857823 0.142178 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 6.35297667278744,
"density_atomic": 0.03224757230423445,
"volume": 248.08069037027988,
"volume_molar": 18.674710465597528,
"formula_full": "Ba2 Cd6",
"formula_reduced": "BaCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-38400",
"created_at": "2022-09-04T14:37:55.800828Z",
"updated_at": "2022-09-04T14:37:55.800847Z",
"structure_string": "Pr2 Tm6\n1.0\n0.000000 7.146294 0.001354\n5.609513 0.000000 0.000000\n0.000000 -3.571945 -6.189637\nPr Tm\n2 6\ndirect\n0.666667 0.250000 0.333336 Pr\n0.333334 0.750000 0.666665 Pr\n0.671614 0.250000 0.835808 Tm\n0.835806 0.750000 0.164190 Tm\n0.835800 0.750000 0.671602 Tm\n0.164201 0.250000 0.328400 Tm\n0.164195 0.250000 0.835811 Tm\n0.328387 0.750000 0.164194 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Tm"
],
"chemical_system": "Pr-Tm",
"density": 8.670340497867226,
"density_atomic": 0.032245287774854504,
"volume": 248.09826650821685,
"volume_molar": 18.676033540305944,
"formula_full": "Pr2 Tm6",
"formula_reduced": "PrTm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.43685315,
"spacegroup": 194
}
]
}