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=188",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=186",
"results": [
{
"id": "jvasp-25808",
"created_at": "2022-09-04T14:37:44.571765Z",
"updated_at": "2022-09-04T14:37:44.571795Z",
"structure_string": "Ag4 Hg8 P4 O16\n1.0\n6.293411 0.000000 0.000000\n0.000000 8.688215 -0.000000\n0.000000 0.000000 9.314363\nAg Hg P O\n4 8 4 16\ndirect\n0.000000 0.526413 0.151968 Ag\n0.000000 0.026413 0.348032 Ag\n0.000000 0.973588 0.651967 Ag\n0.000000 0.473587 0.848032 Ag\n0.212127 0.753385 0.472349 Hg\n0.787873 0.746616 0.972348 Hg\n0.787873 0.253384 0.027651 Hg\n0.787873 0.246616 0.527651 Hg\n0.212127 0.246616 0.527651 Hg\n0.212127 0.253384 0.027651 Hg\n0.212127 0.746616 0.972348 Hg\n0.787873 0.753385 0.472349 Hg\n0.500000 0.040056 0.781869 P\n0.500000 0.959945 0.218131 P\n0.500000 0.459945 0.281869 P\n0.500000 0.540056 0.718131 P\n0.500000 0.666839 0.597766 O\n0.500000 0.384713 0.130331 O\n0.707988 0.054181 0.201795 O\n0.292012 0.554181 0.298205 O\n0.500000 0.615287 0.869669 O\n0.707988 0.945820 0.798204 O\n0.500000 0.884713 0.369669 O\n0.292012 0.945820 0.798204 O\n0.707988 0.445819 0.701795 O\n0.500000 0.166838 0.902233 O\n0.500000 0.833162 0.097766 O\n0.500000 0.115287 0.630330 O\n0.292012 0.054181 0.201795 O\n0.707988 0.554181 0.298205 O\n0.500000 0.333162 0.402233 O\n0.292012 0.445819 0.701795 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"O"
],
"chemical_system": "Ag-Hg-O-P",
"density": 7.877533871273076,
"density_atomic": 0.0628318959389839,
"volume": 509.29547042596363,
"volume_molar": 9.584528160423657,
"formula_full": "Ag4 Hg8 P4 O16",
"formula_reduced": "AgHg2PO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.162316995,
"spacegroup": 55
},
{
"id": "jvasp-4279",
"created_at": "2022-09-04T14:37:14.558687Z",
"updated_at": "2022-09-04T14:37:14.558703Z",
"structure_string": "P4 Br12\n1.0\n6.470598 0.000000 0.000000\n0.000000 7.815455 0.000000\n0.000000 0.000000 10.070020\nP Br\n4 12\ndirect\n0.528710 0.030612 0.250000 P\n0.028710 0.469388 0.750000 P\n0.971290 0.530612 0.250000 P\n0.471290 0.969387 0.750000 P\n0.644266 0.192476 0.078836 Br\n0.144266 0.307524 0.921164 Br\n0.855734 0.692476 0.421164 Br\n0.355734 0.807523 0.578836 Br\n0.355734 0.807523 0.921164 Br\n0.855734 0.692476 0.078836 Br\n0.144266 0.307524 0.578836 Br\n0.644266 0.192476 0.421164 Br\n0.185426 0.091400 0.250000 Br\n0.685426 0.408599 0.750000 Br\n0.314574 0.591400 0.250000 Br\n0.814574 0.908599 0.750000 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.5305753303056155,
"density_atomic": 0.031418899100029464,
"volume": 509.24763305869607,
"volume_molar": 19.167255799851855,
"formula_full": "P4 Br12",
"formula_reduced": "PBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.59257945375,
"spacegroup": 62
},
{
"id": "jvasp-56049",
"created_at": "2022-09-04T14:37:19.562313Z",
"updated_at": "2022-09-04T14:37:19.562342Z",
"structure_string": "Sr4 I8\n1.0\n4.896662 0.000000 0.000000\n-0.000000 8.425202 0.000000\n0.000000 0.000000 12.342198\nSr I\n4 8\ndirect\n0.250000 0.130863 0.170970 Sr\n0.750000 0.630863 0.329030 Sr\n0.250000 0.369137 0.670971 Sr\n0.750000 0.869136 0.829030 Sr\n0.250000 0.373073 0.392778 I\n0.250000 0.882406 0.381020 I\n0.750000 0.382406 0.118980 I\n0.250000 0.617593 0.881020 I\n0.250000 0.126927 0.892778 I\n0.750000 0.873073 0.107222 I\n0.750000 0.117594 0.618980 I\n0.750000 0.626926 0.607222 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"I"
],
"chemical_system": "I-Sr",
"density": 4.4538589572776335,
"density_atomic": 0.023567216278018287,
"volume": 509.1819016059478,
"volume_molar": 25.5530423659624,
"formula_full": "Sr4 I8",
"formula_reduced": "SrI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-55030",
"created_at": "2022-09-04T14:38:31.803944Z",
"updated_at": "2022-09-04T14:38:31.803970Z",
"structure_string": "Dy12 Al8\n1.0\n8.211412 0.000000 0.000000\n-0.000000 8.211412 0.000000\n0.000000 0.000000 7.549840\nDy Al\n12 8\ndirect\n0.500000 0.000000 0.506190 Dy\n0.350479 0.649520 0.756197 Dy\n0.796992 0.796992 0.756209 Dy\n0.000000 0.500000 0.006190 Dy\n0.703008 0.296992 0.256209 Dy\n0.149521 0.149521 0.256196 Dy\n0.850479 0.850479 0.256196 Dy\n0.203008 0.203008 0.756209 Dy\n0.296992 0.703008 0.256209 Dy\n0.000000 0.500000 0.506190 Dy\n0.649520 0.350479 0.756197 Dy\n0.500000 0.000000 0.006190 Dy\n0.880665 0.119335 0.562153 Al\n0.619335 0.619335 0.062153 Al\n0.619341 0.619341 0.450250 Al\n0.119335 0.880665 0.562153 Al\n0.119341 0.880659 0.950250 Al\n0.380665 0.380665 0.062153 Al\n0.880659 0.119341 0.950250 Al\n0.380659 0.380659 0.450250 Al\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 7.0648753209056,
"density_atomic": 0.03928769609652579,
"volume": 509.0652287388417,
"volume_molar": 15.328312317434511,
"formula_full": "Dy12 Al8",
"formula_reduced": "Dy3Al2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.55144502,
"spacegroup": 136
},
{
"id": "jvasp-22943",
"created_at": "2022-09-04T14:38:28.799493Z",
"updated_at": "2022-09-04T14:38:28.799521Z",
"structure_string": "Tl4 Sn4 F28\n1.0\n0.000000 8.753627 0.051295\n5.409093 0.000000 0.000000\n0.000000 -5.527696 -10.783338\nTl Sn F\n4 4 28\ndirect\n0.813638 0.762365 0.736710 Tl\n0.186362 0.262365 0.763290 Tl\n0.186362 0.237635 0.263290 Tl\n0.813638 0.737634 0.236710 Tl\n0.728720 0.235368 0.458564 Sn\n0.271281 0.735367 0.041436 Sn\n0.271280 0.764632 0.541437 Sn\n0.728720 0.264632 0.958564 Sn\n0.014735 0.746591 0.452418 F\n0.728489 0.048953 0.313826 F\n0.271511 0.548953 0.186174 F\n0.271511 0.951046 0.686174 F\n0.728489 0.451046 0.813826 F\n0.297261 0.464735 0.644477 F\n0.702739 0.535265 0.355523 F\n0.702739 0.964734 0.855523 F\n0.985265 0.246591 0.047582 F\n0.957050 0.115919 0.772065 F\n0.042950 0.615919 0.727936 F\n0.297261 0.035265 0.144477 F\n0.985265 0.253408 0.547582 F\n0.474442 0.173893 0.375810 F\n0.525559 0.826106 0.624190 F\n0.474441 0.326107 0.875810 F\n0.042951 0.884080 0.227936 F\n0.525559 0.673893 0.124190 F\n0.702280 0.427782 0.588395 F\n0.297720 0.927782 0.911605 F\n0.297720 0.572217 0.411605 F\n0.702280 0.072217 0.088395 F\n0.755526 0.591756 0.043736 F\n0.244475 0.091756 0.456265 F\n0.244475 0.408243 0.956265 F\n0.755526 0.908243 0.543736 F\n0.014735 0.753408 0.952418 F\n0.957050 0.384081 0.272065 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 5.9510411312602445,
"density_atomic": 0.07072017308268277,
"volume": 509.0485278918995,
"volume_molar": 8.515449690655014,
"formula_full": "Tl4 Sn4 F28",
"formula_reduced": "TlSnF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-59846",
"created_at": "2022-09-04T14:38:18.119327Z",
"updated_at": "2022-09-04T14:38:18.119351Z",
"structure_string": "Ca4 Ni4 P8 O28\n1.0\n0.000000 7.278300 -0.027866\n8.669420 0.000000 0.000000\n0.000000 -4.080511 -8.050480\nCa Ni P O\n4 4 8 28\ndirect\n0.266112 0.952979 0.104860 Ca\n0.733889 0.452979 0.395140 Ca\n0.266112 0.547021 0.604860 Ca\n0.733889 0.047021 0.895141 Ca\n0.771521 0.070778 0.381683 Ni\n0.228479 0.929222 0.618317 Ni\n0.228479 0.570778 0.118317 Ni\n0.771521 0.429222 0.881683 Ni\n0.041686 0.272424 0.233998 P\n0.524898 0.753476 0.463919 P\n0.041686 0.227576 0.733998 P\n0.524898 0.746524 0.963919 P\n0.958315 0.772424 0.266002 P\n0.475102 0.253476 0.036082 P\n0.958315 0.727576 0.766002 P\n0.475102 0.246524 0.536082 P\n0.053703 0.124689 0.147775 O\n0.885386 0.236017 0.803856 O\n0.458370 0.894441 0.857569 O\n0.609442 0.276532 0.947982 O\n0.390559 0.723468 0.052019 O\n0.541630 0.394441 0.642431 O\n0.458370 0.605559 0.357569 O\n0.053704 0.375311 0.647775 O\n0.114615 0.736017 0.696145 O\n0.443219 0.104716 0.620856 O\n0.986546 0.582461 0.873870 O\n0.556781 0.895284 0.379145 O\n0.254383 0.307817 0.396307 O\n0.013455 0.082461 0.626131 O\n0.114615 0.763983 0.196145 O\n0.013455 0.417539 0.126131 O\n0.986546 0.917539 0.373870 O\n0.609442 0.223468 0.447982 O\n0.541630 0.105559 0.142431 O\n0.556781 0.604716 0.879145 O\n0.390559 0.776532 0.552019 O\n0.745617 0.807817 0.103694 O\n0.443219 0.395284 0.120856 O\n0.946297 0.875311 0.852226 O\n0.946297 0.624689 0.352226 O\n0.254383 0.192183 0.896307 O\n0.885386 0.263983 0.303856 O\n0.745617 0.692183 0.603694 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"P",
"O"
],
"chemical_system": "Ca-Ni-O-P",
"density": 3.559048660612906,
"density_atomic": 0.08645078222706422,
"volume": 508.9601142582304,
"volume_molar": 6.965976021110787,
"formula_full": "Ca4 Ni4 P8 O28",
"formula_reduced": "CaNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.36711712,
"spacegroup": 14
},
{
"id": "jvasp-29582",
"created_at": "2022-09-04T14:38:01.779874Z",
"updated_at": "2022-09-04T14:38:01.779913Z",
"structure_string": "Cd4 Hg4 As4 Br4\n1.0\n4.775161 0.000000 0.000000\n0.000000 11.071190 -0.000000\n0.000000 -0.000000 9.617108\nCd Hg As Br\n4 4 4 4\ndirect\n0.000000 0.924757 0.713109 Cd\n0.000000 0.575243 0.713109 Cd\n0.000000 0.075243 0.286891 Cd\n0.000000 0.424757 0.286891 Cd\n0.500000 0.250000 0.731715 Hg\n0.500000 0.750000 0.268285 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.500000 0.020869 0.735428 As\n0.500000 0.979131 0.264572 As\n0.500000 0.479131 0.735428 As\n0.500000 0.520869 0.264572 As\n0.000000 0.250000 0.489586 Br\n0.000000 0.750000 0.510414 Br\n0.000000 0.750000 0.928719 Br\n0.000000 0.250000 0.071281 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Cd-Hg",
"density": 6.111772559333636,
"density_atomic": 0.031469740846828256,
"volume": 508.4249049865498,
"volume_molar": 19.13628964824143,
"formula_full": "Cd4 Hg4 As4 Br4",
"formula_reduced": "CdHgAsBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-55673",
"created_at": "2022-09-04T14:38:10.120203Z",
"updated_at": "2022-09-04T14:38:10.120214Z",
"structure_string": "Na6 In2 Cl12\n1.0\n3.438068 -5.954909 0.000000\n3.438068 5.954909 0.000000\n-0.000000 0.000000 12.414931\nNa In Cl\n6 2 12\ndirect\n0.333333 0.666667 0.038671 Na\n0.333333 0.666667 0.461329 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.666667 0.333333 0.961329 Na\n0.666667 0.333333 0.538671 Na\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.955862 0.640397 0.372577 Cl\n0.359603 0.315466 0.372577 Cl\n0.044138 0.684534 0.872577 Cl\n0.315466 0.359603 0.872577 Cl\n0.640397 0.955862 0.872577 Cl\n0.955862 0.315466 0.127422 Cl\n0.640397 0.684534 0.627422 Cl\n0.684534 0.640397 0.127422 Cl\n0.044138 0.359603 0.627422 Cl\n0.359603 0.044138 0.127422 Cl\n0.315466 0.955862 0.627422 Cl\n0.684534 0.044138 0.372577 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"In",
"Cl"
],
"chemical_system": "Cl-In-Na",
"density": 2.5903843127756887,
"density_atomic": 0.03934287549491477,
"volume": 508.3512516156854,
"volume_molar": 15.306813963759176,
"formula_full": "Na6 In2 Cl12",
"formula_reduced": "Na3InCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-98309",
"created_at": "2022-09-04T14:36:19.375294Z",
"updated_at": "2022-09-04T14:36:19.375318Z",
"structure_string": "Na8 P8 O24\n1.0\n5.607361 0.000000 1.784793\n2.803680 9.294104 0.892396\n-0.015234 0.000000 9.748700\nNa P O\n8 8 24\ndirect\n0.516336 0.268756 0.555749 Na\n0.714908 0.444250 0.768756 Na\n0.927915 0.055749 0.731243 Na\n0.072086 0.944250 0.268757 Na\n0.285093 0.555749 0.231244 Na\n0.340843 0.231243 0.944250 Na\n0.659158 0.768756 0.055750 Na\n0.483664 0.731243 0.444251 Na\n0.499407 0.059297 0.293787 P\n0.852491 0.440703 0.206213 P\n0.147509 0.559297 0.793787 P\n0.058704 0.293787 0.440703 P\n0.793194 0.206213 0.059297 P\n0.941296 0.706213 0.559297 P\n0.500594 0.940702 0.706213 P\n0.206807 0.793787 0.940703 P\n0.882648 0.582387 0.881542 O\n0.117352 0.417612 0.118458 O\n0.562405 0.141984 0.139456 O\n0.678195 0.589694 0.238694 O\n0.493417 0.089695 0.738694 O\n-0.034964 0.881542 0.917613 O\n0.156156 0.641984 0.639456 O\n0.437596 0.858015 0.860544 O\n0.767890 0.238694 0.910305 O\n0.764190 0.618457 0.582388 O\n0.204389 0.139456 0.358016 O\n0.034965 0.118458 0.082388 O\n0.346578 0.917612 0.618458 O\n0.298140 0.639456 0.858016 O\n0.083112 0.738694 0.410306 O\n0.701861 0.360544 0.141984 O\n0.235810 0.381542 0.417612 O\n0.653423 0.082388 0.381542 O\n0.843845 0.358016 0.360544 O\n0.321806 0.410305 0.761306 O\n0.916889 0.261306 0.589694 O\n0.506584 0.910305 0.261306 O\n0.232111 0.761306 0.089695 O\n0.795612 0.860544 0.641984 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Na",
"P",
"O"
],
"chemical_system": "Na-O-P",
"density": 2.6646954183022156,
"density_atomic": 0.07869212642643833,
"volume": 508.31006628588364,
"volume_molar": 7.652786922246303,
"formula_full": "Na8 P8 O24",
"formula_reduced": "NaPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.557137,
"spacegroup": 88
},
{
"id": "jvasp-10271",
"created_at": "2022-09-04T14:38:08.938269Z",
"updated_at": "2022-09-04T14:38:08.938280Z",
"structure_string": "K6 Sb2 Se8\n1.0\n7.981181 -0.045513 -0.173419\n-0.176236 7.979365 -0.173419\n-0.044773 -0.045513 7.982940\nK Sb Se\n6 2 8\ndirect\n0.465206 0.520097 -0.000043 K\n-0.000043 0.465206 0.520097 K\n0.520097 -0.000042 0.465206 K\n0.020096 0.965207 0.499957 K\n0.499958 0.020097 0.965206 K\n0.965206 0.499958 0.020096 K\n0.001030 0.001030 0.001030 Sb\n0.501030 0.501030 0.501030 Sb\n0.200261 0.821400 0.167542 Se\n0.313007 0.313008 0.313007 Se\n0.321400 0.700262 0.667542 Se\n0.167543 0.200262 0.821400 Se\n0.821400 0.167543 0.200261 Se\n0.700261 0.667543 0.321400 Se\n0.667542 0.321400 0.700261 Se\n0.813007 0.813008 0.813007 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sb",
"Se"
],
"chemical_system": "K-Sb-Se",
"density": 3.626222330607478,
"density_atomic": 0.03148361437024576,
"volume": 508.2008632122343,
"volume_molar": 19.12785707885988,
"formula_full": "K6 Sb2 Se8",
"formula_reduced": "K3SbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5246741958333334,
"spacegroup": 161
},
{
"id": "jvasp-29769",
"created_at": "2022-09-04T14:38:02.041699Z",
"updated_at": "2022-09-04T14:38:02.041716Z",
"structure_string": "Ge4 Pb4 S12\n1.0\n6.934774 0.030946 0.000000\n-1.954586 7.021019 0.000000\n0.000000 0.000000 10.421083\nGe Pb S\n4 4 12\ndirect\n0.993074 0.320822 0.795434 Ge\n0.493075 0.320821 0.704565 Ge\n0.006925 0.679179 0.204565 Ge\n0.506925 0.679180 0.295435 Ge\n0.778607 0.140171 0.417395 Pb\n0.278607 0.140171 0.082605 Pb\n0.721392 0.859830 0.917394 Pb\n0.221392 0.859830 0.582605 Pb\n0.584085 0.942048 0.177892 S\n0.084086 0.942047 0.322108 S\n0.812627 0.516772 0.715541 S\n0.587971 0.768270 0.495879 S\n0.187372 0.483228 0.284459 S\n0.687372 0.483229 0.215541 S\n0.915913 0.057953 0.677892 S\n0.415914 0.057953 0.822108 S\n0.087971 0.768270 0.004121 S\n0.412028 0.231731 0.504121 S\n0.912028 0.231731 0.995879 S\n0.312628 0.516772 0.784459 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"S"
],
"chemical_system": "Ge-Pb-S",
"density": 4.9164638826594205,
"density_atomic": 0.039368193855708805,
"volume": 508.0243222054696,
"volume_molar": 15.296969889124659,
"formula_full": "Ge4 Pb4 S12",
"formula_reduced": "GePbS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3360273539999998,
"spacegroup": 14
},
{
"id": "jvasp-27016",
"created_at": "2022-09-04T14:38:35.762267Z",
"updated_at": "2022-09-04T14:38:35.762277Z",
"structure_string": "Nd10 Sn6\n1.0\n4.644392 -8.044323 -0.000000\n4.644392 8.044323 0.000000\n-0.000000 -0.000000 6.798118\nNd Sn\n10 6\ndirect\n0.333333 0.666667 0.000000 Nd\n0.666667 0.333333 0.500000 Nd\n0.666667 0.333333 0.000000 Nd\n0.333333 0.666667 0.500000 Nd\n-0.000000 0.243318 0.250000 Nd\n0.756681 -0.000000 0.750000 Nd\n0.243318 0.243318 0.750000 Nd\n0.756681 0.756681 0.250000 Nd\n0.243318 -0.000000 0.250000 Nd\n-0.000000 0.756681 0.750000 Nd\n-0.000000 0.607425 0.250000 Sn\n0.392574 -0.000000 0.750000 Sn\n0.607425 0.607425 0.750000 Sn\n0.392574 0.392574 0.250000 Sn\n0.607425 -0.000000 0.250000 Sn\n-0.000000 0.392574 0.750000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nd",
"Sn"
],
"chemical_system": "Nd-Sn",
"density": 7.043602111988703,
"density_atomic": 0.03149799572316101,
"volume": 507.96882889392634,
"volume_molar": 19.119123683072374,
"formula_full": "Nd10 Sn6",
"formula_reduced": "Nd5Sn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.286809075,
"spacegroup": 193
}
]
}