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=3565",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3563",
"results": [
{
"id": "jvasp-119290",
"created_at": "2022-09-04T14:38:48.790093Z",
"updated_at": "2022-09-04T14:38:48.790132Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.871816 -0.000000 0.000000\n0.000000 3.871816 0.000000\n-0.000000 -0.000000 15.805256\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n-0.000000 0.500000 0.184118 Sr\n0.500000 0.000000 0.815882 Sr\n-0.000000 0.500000 0.413685 Sr\n0.500000 0.000000 0.586316 Sr\n0.500000 0.000000 0.305826 Mn\n-0.000000 0.500000 0.694175 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.092106 S\n-0.000000 0.500000 0.907895 S\n0.000000 0.000000 0.288499 O\n0.500000 0.500000 0.288499 O\n0.500000 0.500000 0.711501 O\n0.000000 0.000000 0.711501 O\n0.500000 0.000000 0.430423 O\n-0.000000 0.500000 0.569577 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.239292147491067,
"density_atomic": 0.06752879928978316,
"volume": 236.93594685935335,
"volume_molar": 8.917885144318163,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4510651014224138,
"spacegroup": 129
},
{
"id": "jvasp-119177",
"created_at": "2022-09-04T14:38:36.253946Z",
"updated_at": "2022-09-04T14:38:36.253961Z",
"structure_string": "K1 Fe4 Si3 O12\n1.0\n5.210468 -0.020180 -0.468415\n-2.683587 4.502681 -0.403539\n0.100037 0.126158 10.095565\nK Fe Si O\n1 4 3 12\ndirect\n0.501715 0.512238 0.008407 K\n0.990153 0.986422 0.497829 Fe\n0.657104 0.345286 0.496158 Fe\n0.380869 0.660778 0.510434 Fe\n0.091119 0.766286 0.777513 Fe\n0.770188 0.105090 0.782844 Si\n0.899991 0.241732 0.228859 Si\n0.234399 0.911684 0.228468 Si\n0.727162 0.060315 0.610405 O\n0.010844 0.689205 0.586951 O\n0.652346 0.631362 0.390490 O\n0.351832 0.320748 0.588129 O\n0.548015 0.053874 0.164088 O\n0.053180 0.063367 0.166263 O\n0.471825 0.835055 0.828396 O\n0.813697 0.422205 0.840632 O\n0.947277 0.281876 0.391862 O\n0.056970 0.085951 0.841555 O\n0.046264 0.559596 0.168991 O\n0.295055 0.966936 0.391715 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-K-O-Si",
"density": 3.7755197787011814,
"density_atomic": 0.0844089352665796,
"volume": 236.9417400756942,
"volume_molar": 7.134482553275818,
"formula_full": "K1 Fe4 Si3 O12",
"formula_reduced": "KFe4(SiO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.12895589,
"spacegroup": 1
},
{
"id": "jvasp-58514",
"created_at": "2022-09-04T14:37:17.079142Z",
"updated_at": "2022-09-04T14:37:17.079166Z",
"structure_string": "Mg2 Bi2 P2 O12\n1.0\n0.000000 6.233951 0.149378\n5.206130 0.000000 0.000000\n0.000000 -2.849038 -7.369461\nMg Bi P O\n2 2 2 12\ndirect\n0.878826 0.250000 0.082847 Mg\n0.121173 0.750000 0.917153 Mg\n0.765741 0.750000 0.440843 Bi\n0.234258 0.250000 0.559156 Bi\n0.384502 0.250000 0.177928 P\n0.615497 0.750000 0.822071 P\n0.488339 0.750000 0.608786 O\n0.220000 0.016155 0.119597 O\n0.983197 0.476358 0.328553 O\n0.983197 0.023642 0.328553 O\n0.511660 0.250000 0.391213 O\n0.559111 0.250000 0.087699 O\n0.440888 0.750000 0.912301 O\n0.780000 0.983845 0.880402 O\n0.780000 0.516155 0.880402 O\n0.016802 0.976358 0.671447 O\n0.016802 0.523642 0.671447 O\n0.220000 0.483845 0.119597 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mg",
"Bi",
"P",
"O"
],
"chemical_system": "Bi-Mg-O-P",
"density": 5.049142253332091,
"density_atomic": 0.07596268795318026,
"volume": 236.95843953144907,
"volume_molar": 7.9277615396018595,
"formula_full": "Mg2 Bi2 P2 O12",
"formula_reduced": "MgBiPO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.10071665,
"spacegroup": 11
},
{
"id": "jvasp-32125",
"created_at": "2022-09-04T14:38:05.408032Z",
"updated_at": "2022-09-04T14:38:05.408060Z",
"structure_string": "Cu2 H12 N4 Cl4\n1.0\n0.000000 -0.000000 -5.771194\n3.810615 -5.387542 0.000000\n-3.810615 -5.387542 0.000000\nCu H N Cl\n2 12 4 4\ndirect\n0.750000 0.110075 0.110075 Cu\n0.250000 0.889924 0.889924 Cu\n0.894343 0.463082 0.841263 H\n0.605656 0.463082 0.841263 H\n0.750000 0.323346 0.713863 H\n0.394342 0.158737 0.536918 H\n0.105657 0.158737 0.536918 H\n0.250000 0.286136 0.676654 H\n0.605656 0.841263 0.463082 H\n0.750000 0.713863 0.323346 H\n0.250000 0.676654 0.286136 H\n0.394342 0.536918 0.158737 H\n0.105657 0.536918 0.158737 H\n0.894343 0.841263 0.463082 H\n0.250000 0.631313 0.150878 N\n0.750000 0.849122 0.368688 N\n0.250000 0.150878 0.631313 N\n0.750000 0.368688 0.849122 N\n0.250000 0.664898 0.664898 Cl\n0.250000 0.111926 0.111926 Cl\n0.750000 0.335103 0.335103 Cl\n0.750000 0.888073 0.888073 Cl\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cu",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-Cu-H-N",
"density": 2.361735164107382,
"density_atomic": 0.09284131222789972,
"volume": 236.9634753330079,
"volume_molar": 6.486488197428007,
"formula_full": "Cu2 H12 N4 Cl4",
"formula_reduced": "CuH6(NCl)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.764605916818182,
"spacegroup": 63
},
{
"id": "jvasp-112497",
"created_at": "2022-09-04T14:38:40.775781Z",
"updated_at": "2022-09-04T14:38:40.775808Z",
"structure_string": "In6 Ga2 N8\n1.0\n6.958534 -0.000000 0.000000\n-3.479267 6.026267 0.000000\n-0.000000 -0.000000 5.651059\nIn Ga N\n6 2 8\ndirect\n0.339027 0.169514 0.998581 In\n0.830485 0.660973 0.998581 In\n0.830485 0.169514 0.998581 In\n0.169514 0.830486 0.498581 In\n0.169514 0.339028 0.498581 In\n0.660972 0.830486 0.498581 In\n0.333333 0.666667 0.999647 Ga\n0.666666 0.333333 0.499647 Ga\n0.353971 0.176986 0.385923 N\n0.823014 0.646029 0.385923 N\n0.823014 0.176986 0.385923 N\n0.333333 0.666667 0.346841 N\n0.666666 0.333333 0.846842 N\n0.176985 0.823015 0.885923 N\n0.176985 0.353971 0.885923 N\n0.646028 0.823015 0.885923 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"In",
"Ga",
"N"
],
"chemical_system": "Ga-In-N",
"density": 6.589754918696634,
"density_atomic": 0.067518691610757,
"volume": 236.97141662992323,
"volume_molar": 8.919220169012515,
"formula_full": "In6 Ga2 N8",
"formula_reduced": "In3GaN4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.707914404375,
"spacegroup": 186
},
{
"id": "jvasp-27505",
"created_at": "2022-09-04T14:36:50.876077Z",
"updated_at": "2022-09-04T14:36:50.876111Z",
"structure_string": "Nd4 B4 O12\n1.0\n5.077419 0.000000 0.000000\n0.000000 5.743499 0.000000\n0.000000 0.000000 8.126031\nNd B O\n4 4 12\ndirect\n0.250000 0.758413 0.084901 Nd\n0.750000 0.241588 0.915099 Nd\n0.250000 0.258412 0.415099 Nd\n0.750000 0.741588 0.584901 Nd\n0.250000 0.916522 0.737043 B\n0.750000 0.083478 0.262957 B\n0.250000 0.416522 0.762957 B\n0.750000 0.583478 0.237043 B\n0.484151 0.412287 0.676815 O\n0.984151 0.587713 0.323185 O\n0.250000 0.900200 0.568548 O\n0.750000 0.099800 0.431452 O\n0.250000 0.400200 0.931452 O\n0.515849 0.587713 0.323185 O\n0.984151 0.087713 0.176815 O\n0.484151 0.912287 0.823185 O\n0.515849 0.087713 0.176815 O\n0.015849 0.412287 0.676815 O\n0.750000 0.599800 0.068548 O\n0.015849 0.912287 0.823185 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"B",
"O"
],
"chemical_system": "B-Nd-O",
"density": 5.6913673856938205,
"density_atomic": 0.08439796348252518,
"volume": 236.9725426389116,
"volume_molar": 7.135410040133138,
"formula_full": "Nd4 B4 O12",
"formula_reduced": "NdBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1908709166666664,
"spacegroup": 62
},
{
"id": "jvasp-8652",
"created_at": "2022-09-04T14:37:04.347034Z",
"updated_at": "2022-09-04T14:37:04.347059Z",
"structure_string": "Rb2 Mn1 Br4\n1.0\n5.073835 -0.000000 -1.502561\n-0.444967 5.054286 -1.502561\n-0.019194 -0.020958 9.253112\nRb Mn Br\n2 1 4\ndirect\n0.359180 0.359179 0.718359 Rb\n0.640821 0.640821 0.281641 Rb\n0.000000 0.000000 0.000000 Mn\n0.159151 0.159150 0.318300 Br\n-0.000000 0.500000 0.000000 Br\n0.840850 0.840850 0.681701 Br\n0.500000 0.000000 0.000000 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 3.8224066365071634,
"density_atomic": 0.029539240053716203,
"volume": 236.97292101187148,
"volume_molar": 20.38691838059788,
"formula_full": "Rb2 Mn1 Br4",
"formula_reduced": "Rb2MnBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.1644516881609197,
"spacegroup": 139
},
{
"id": "jvasp-28444",
"created_at": "2022-09-04T14:37:15.347846Z",
"updated_at": "2022-09-04T14:37:15.347880Z",
"structure_string": "Hf2 Te6\n1.0\n0.000000 -3.921586 0.000000\n-5.910322 0.000000 0.818210\n-0.019091 0.000000 -10.221509\nHf Te\n2 6\ndirect\n0.750001 0.711799 0.832958 Hf\n0.250000 0.288200 0.167043 Hf\n0.750001 0.569020 0.329416 Te\n0.250000 0.430980 0.670584 Te\n0.750001 0.237016 0.948207 Te\n0.250000 0.762983 0.051793 Te\n0.750001 0.088021 0.334129 Te\n0.250000 0.911979 0.665871 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Te"
],
"chemical_system": "Hf-Te",
"density": 7.8662223575093275,
"density_atomic": 0.033759018192200674,
"volume": 236.97371631051269,
"volume_molar": 17.838613450527692,
"formula_full": "Hf2 Te6",
"formula_reduced": "HfTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.895309075,
"spacegroup": 11
},
{
"id": "jvasp-3165",
"created_at": "2022-09-04T14:35:59.032580Z",
"updated_at": "2022-09-04T14:35:59.032606Z",
"structure_string": "K4 Zn1 P2\n1.0\n5.370062 0.021277 7.593705\n2.429261 4.789228 7.593705\n0.034497 0.021277 9.300576\nK Zn P\n4 1 2\ndirect\n0.208425 0.208426 0.208425 K\n0.791574 0.791576 0.791573 K\n0.384729 0.384730 0.384728 K\n0.615271 0.615272 0.615270 K\n0.000000 0.000000 0.000000 Zn\n0.085094 0.085094 0.085094 P\n0.914905 0.914908 0.914905 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Zn",
"P"
],
"chemical_system": "K-P-Zn",
"density": 1.9881618055155201,
"density_atomic": 0.02953692097838118,
"volume": 236.99152681227258,
"volume_molar": 20.38851904844028,
"formula_full": "K4 Zn1 P2",
"formula_reduced": "K4ZnP2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0566199285714285,
"spacegroup": 166
},
{
"id": "jvasp-33805",
"created_at": "2022-09-04T14:38:07.822953Z",
"updated_at": "2022-09-04T14:38:07.822978Z",
"structure_string": "In2 Cl6\n1.0\n8.904165 -0.000200 -0.000409\n-4.452258 7.711784 0.000579\n-0.000157 0.000163 3.451565\nIn Cl\n2 6\ndirect\n0.666662 0.333325 0.250003 In\n0.333337 0.666673 0.749999 In\n0.791324 0.208682 0.749996 Cl\n0.417344 0.208673 0.750001 Cl\n0.791315 0.582624 0.750010 Cl\n0.208675 0.791316 0.250006 Cl\n0.582656 0.791325 0.250005 Cl\n0.208685 0.417374 0.249994 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Cl"
],
"chemical_system": "Cl-In",
"density": 3.0992783139094864,
"density_atomic": 0.033754486709248015,
"volume": 237.0055296325442,
"volume_molar": 17.841008254319153,
"formula_full": "In2 Cl6",
"formula_reduced": "InCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062970337499999,
"spacegroup": 194
},
{
"id": "jvasp-50014",
"created_at": "2022-09-04T14:37:13.299754Z",
"updated_at": "2022-09-04T14:37:13.299779Z",
"structure_string": "Al4 Si4 O14\n1.0\n5.197742 -0.021838 -0.004709\n0.576713 5.165694 0.004709\n-2.297271 2.578899 8.829632\nAl Si O\n4 4 14\ndirect\n0.375746 0.272066 0.978802 Al\n0.272066 0.375746 0.521198 Al\n0.727934 0.624253 0.478802 Al\n0.624253 0.727933 0.021198 Al\n0.191901 0.802900 0.704425 Si\n0.197099 0.808098 0.204425 Si\n0.802900 0.191900 0.795575 Si\n0.808099 0.197099 0.295575 Si\n0.933495 0.933495 0.750000 O\n0.684841 0.972464 0.394854 O\n0.583382 0.379527 0.133946 O\n0.408366 0.912591 0.105412 O\n0.620473 0.416618 0.633946 O\n0.379527 0.583381 0.366054 O\n0.066504 0.066504 0.250000 O\n0.416618 0.620472 0.866054 O\n0.315159 0.027535 0.605146 O\n0.912591 0.408366 0.394588 O\n0.087408 0.591633 0.605411 O\n0.027535 0.315159 0.894853 O\n0.591633 0.087408 0.894588 O\n0.972464 0.684840 0.105146 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 3.111908070041589,
"density_atomic": 0.09280328940861322,
"volume": 237.0605626179253,
"volume_molar": 6.489145803317911,
"formula_full": "Al4 Si4 O14",
"formula_reduced": "Al2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.635290663636363,
"spacegroup": 15
},
{
"id": "jvasp-100275",
"created_at": "2022-09-04T14:36:38.234264Z",
"updated_at": "2022-09-04T14:36:38.234284Z",
"structure_string": "Nd2 Lu2 S6\n1.0\n6.638846 0.000352 0.000000\n-5.561604 3.625305 -0.000000\n-0.000000 -0.000000 9.848895\nNd Lu S\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.245714 0.754284 0.250000 Lu\n0.754286 0.245714 0.750000 Lu\n0.892799 0.107201 0.250000 S\n0.107201 0.892797 0.750000 S\n0.649440 0.350559 0.081999 S\n0.350560 0.649439 0.581999 S\n0.649440 0.350559 0.418002 S\n0.350560 0.649439 0.918002 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Lu",
"S"
],
"chemical_system": "Lu-Nd-S",
"density": 5.819555188838265,
"density_atomic": 0.04218324874084461,
"volume": 237.060925805777,
"volume_molar": 14.276142638983055,
"formula_full": "Nd2 Lu2 S6",
"formula_reduced": "NdLuS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4237454500000002,
"spacegroup": 63
}
]
}