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=839",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=837",
"results": [
{
"id": "jvasp-23481",
"created_at": "2022-09-04T14:37:33.480896Z",
"updated_at": "2022-09-04T14:37:33.480923Z",
"structure_string": "Zr4 In8\n1.0\n4.364946 -0.000000 -0.694081\n-0.110367 4.363550 -0.694081\n0.013295 0.013636 14.155818\nZr In\n4 8\ndirect\n0.701932 0.951934 0.903867 Zr\n0.451933 0.201933 0.403866 Zr\n0.298068 0.048067 0.096134 Zr\n0.548067 0.798068 0.596134 Zr\n0.875570 0.125570 0.251139 In\n0.625569 0.375570 0.751139 In\n0.124429 0.874431 0.748861 In\n0.374430 0.624431 0.248861 In\n0.036786 0.286788 0.573574 In\n0.786787 0.536787 0.073574 In\n0.963213 0.713213 0.426426 In\n0.213212 0.463214 0.926426 In\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.90201411345326,
"density_atomic": 0.044493275536215675,
"volume": 269.70367668778397,
"volume_molar": 13.534945870861383,
"formula_full": "Zr4 In8",
"formula_reduced": "ZrIn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8948348133333337,
"spacegroup": 141
},
{
"id": "jvasp-10094",
"created_at": "2022-09-04T14:37:10.606530Z",
"updated_at": "2022-09-04T14:37:10.606554Z",
"structure_string": "Sr6 Ga2 N6\n1.0\n3.790506 -6.565349 0.000000\n3.790506 6.565349 -0.000000\n-0.000000 -0.000000 5.418132\nSr Ga N\n6 2 6\ndirect\n0.284492 0.357452 0.250000 Sr\n0.357451 0.072961 0.750000 Sr\n0.927040 0.284492 0.750000 Sr\n0.072961 0.715509 0.250000 Sr\n0.642550 0.927040 0.250000 Sr\n0.715509 0.642550 0.750000 Sr\n0.333334 0.666668 0.750000 Ga\n0.666668 0.333334 0.250000 Ga\n0.400142 0.092992 0.250000 N\n0.092992 0.692851 0.750000 N\n0.307150 0.400142 0.750000 N\n0.692851 0.599859 0.250000 N\n0.907009 0.307151 0.250000 N\n0.599859 0.907009 0.750000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"N"
],
"chemical_system": "Ga-N-Sr",
"density": 4.613344402837809,
"density_atomic": 0.05191507108321809,
"volume": 269.6712093017936,
"volume_molar": 11.599985580963017,
"formula_full": "Sr6 Ga2 N6",
"formula_reduced": "Sr3GaN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.0550701435714287,
"spacegroup": 176
},
{
"id": "jvasp-122584",
"created_at": "2022-09-04T14:38:51.523798Z",
"updated_at": "2022-09-04T14:38:51.523817Z",
"structure_string": "Sn7 Rh1\n1.0\n6.460603 0.000000 -0.000000\n-0.000000 6.460603 0.000000\n-0.000000 0.000000 6.460603\nSn Rh\n7 1\ndirect\n0.230266 0.230266 0.730265 Sn\n0.000000 0.500000 0.000000 Sn\n0.230266 0.769734 0.269734 Sn\n0.500000 0.000000 0.000000 Sn\n0.769734 0.230266 0.269734 Sn\n0.500000 0.500000 0.500000 Sn\n0.769734 0.769734 0.730265 Sn\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn",
"density": 5.750676206312896,
"density_atomic": 0.029666808127264868,
"volume": 269.6616355113616,
"volume_molar": 20.29925408276543,
"formula_full": "Sn7 Rh1",
"formula_reduced": "Sn7Rh",
"formula_anonymous": "AB7",
"energy_above_hull": 0.8571518625000001,
"spacegroup": 215
},
{
"id": "jvasp-8552",
"created_at": "2022-09-04T14:36:48.046981Z",
"updated_at": "2022-09-04T14:36:48.047004Z",
"structure_string": "Tl2 In2 Te4\n1.0\n6.836285 0.006215 -1.876423\n-3.973380 5.563009 -1.876423\n-0.003195 -0.006215 7.089128\nTl In Te\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Tl\n0.750000 0.750001 0.000001 Tl\n0.749999 0.250000 0.500000 In\n0.249999 0.750000 0.500000 In\n0.681503 0.181504 0.863007 Te\n0.181503 0.318496 0.500000 Te\n0.818496 0.681504 0.500001 Te\n0.318496 0.818497 0.136994 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"In",
"Te"
],
"chemical_system": "In-Te-Tl",
"density": 7.075326698236695,
"density_atomic": 0.029671669137581718,
"volume": 269.6174577475088,
"volume_molar": 20.295928523860635,
"formula_full": "Tl2 In2 Te4",
"formula_reduced": "TlInTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0804020258333333,
"spacegroup": 140
},
{
"id": "jvasp-50296",
"created_at": "2022-09-04T14:37:07.782669Z",
"updated_at": "2022-09-04T14:37:07.782701Z",
"structure_string": "Hg2 Bi4 O12\n1.0\n5.040575 -0.000000 0.000000\n0.000000 5.040575 0.000000\n0.000000 0.000000 10.610340\nHg Bi O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.332645 Bi\n0.000000 0.000000 0.667355 Bi\n0.500000 0.500000 0.167355 Bi\n0.500000 0.500000 0.832645 Bi\n0.812453 0.187548 0.500000 O\n0.687548 0.687548 0.000000 O\n0.697662 0.697662 0.674581 O\n0.697662 0.697662 0.325419 O\n0.302339 0.302339 0.674581 O\n0.187548 0.812453 0.500000 O\n0.312453 0.312453 0.000000 O\n0.802340 0.197661 0.174581 O\n0.197661 0.802340 0.174581 O\n0.197661 0.802340 0.825419 O\n0.302339 0.302339 0.325419 O\n0.802340 0.197661 0.825419 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hg",
"Bi",
"O"
],
"chemical_system": "Bi-Hg-O",
"density": 8.80279426671127,
"density_atomic": 0.06677025612359597,
"volume": 269.5811135826836,
"volume_molar": 9.019196734624826,
"formula_full": "Hg2 Bi4 O12",
"formula_reduced": "Hg(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.8366449111111107,
"spacegroup": 136
},
{
"id": "jvasp-98004",
"created_at": "2022-09-04T14:36:06.496214Z",
"updated_at": "2022-09-04T14:36:06.496240Z",
"structure_string": "Ca6 Mn4 O14\n1.0\n5.182445 0.000000 -1.409989\n0.000000 5.257465 0.000000\n-0.085008 -0.000000 9.916639\nCa Mn O\n6 4 14\ndirect\n0.553158 0.750001 0.629304 Ca\n0.923854 0.750001 0.370696 Ca\n0.076145 0.250000 0.629304 Ca\n0.446841 0.250000 0.370696 Ca\n0.744380 0.750001 -0.000000 Ca\n0.255619 0.250000 -0.000000 Ca\n0.150212 0.750001 0.802560 Mn\n0.849787 0.250000 0.197439 Mn\n0.652347 0.250000 0.802560 Mn\n0.347652 0.750001 0.197440 Mn\n0.113351 0.500000 0.226702 O\n0.886648 0.000000 0.773298 O\n0.108627 0.750001 0.606759 O\n0.113351 0.000000 0.226702 O\n0.886648 0.500000 0.773298 O\n0.417240 0.000000 0.834481 O\n0.582759 0.500000 0.165519 O\n0.582759 0.000000 0.165519 O\n0.417240 0.500000 0.834481 O\n0.498131 0.250000 0.606759 O\n0.891372 0.250000 0.393241 O\n0.501868 0.750001 0.393241 O\n0.826016 0.250000 -0.000000 O\n0.173983 0.750001 -0.000000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.214811128904916,
"density_atomic": 0.08903273511199043,
"volume": 269.56377303035157,
"volume_molar": 6.763962437439454,
"formula_full": "Ca6 Mn4 O14",
"formula_reduced": "Ca3Mn2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.2226558535632184,
"spacegroup": 63
},
{
"id": "jvasp-112499",
"created_at": "2022-09-04T14:38:40.839001Z",
"updated_at": "2022-09-04T14:38:40.839025Z",
"structure_string": "Ag3 Bi3 S6\n1.0\n4.047350 0.000000 0.000000\n-2.023676 3.505108 0.000000\n-0.000000 -0.000000 19.001226\nAg Bi S\n3 3 6\ndirect\n0.333333 0.666667 0.666647 Ag\n0.666666 0.333334 0.333354 Ag\n0.000000 0.000000 0.000000 Ag\n0.666666 0.333334 0.833306 Bi\n0.333333 0.666667 0.166694 Bi\n0.000000 0.000000 0.500000 Bi\n0.666666 0.333334 0.586856 S\n0.000000 0.000000 0.746447 S\n0.333333 0.666667 0.920168 S\n0.000000 0.000000 0.253553 S\n0.666666 0.333334 0.079832 S\n0.333333 0.666667 0.413145 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"S"
],
"chemical_system": "Ag-Bi-S",
"density": 7.040721145050788,
"density_atomic": 0.044517160598581476,
"volume": 269.558970937207,
"volume_molar": 13.52768388420508,
"formula_full": "Ag3 Bi3 S6",
"formula_reduced": "AgBiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.02461289,
"spacegroup": 166
},
{
"id": "jvasp-116731",
"created_at": "2022-09-04T14:38:44.692258Z",
"updated_at": "2022-09-04T14:38:44.692290Z",
"structure_string": "Ti2 Cr2 Ag2 S8\n1.0\n6.321194 -0.004116 -3.524941\n-2.114713 5.892119 -3.632305\n-0.004197 0.004116 7.237588\nTi Cr Ag S\n2 2 2 8\ndirect\n0.992784 0.721216 0.228431 Ti\n0.007215 0.235647 0.728432 Ti\n0.499999 0.255042 0.755042 Cr\n0.000000 0.255042 0.255042 Cr\n0.372303 0.886552 0.014248 Ag\n0.627697 0.641945 0.514248 Ag\n0.757858 0.484026 0.226168 S\n0.759871 0.481853 0.766280 S\n0.215572 0.481852 0.221981 S\n0.765351 0.053682 0.788329 S\n0.234648 0.022977 0.288329 S\n0.242142 0.468310 0.726168 S\n0.784427 0.006408 0.266279 S\n0.240128 0.006409 0.721981 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 4.13983456064632,
"density_atomic": 0.05194023333091744,
"volume": 269.5405681142078,
"volume_molar": 11.594366012243766,
"formula_full": "Ti2 Cr2 Ag2 S8",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.46550899904762,
"spacegroup": 46
},
{
"id": "jvasp-58391",
"created_at": "2022-09-04T14:37:31.410565Z",
"updated_at": "2022-09-04T14:37:31.410576Z",
"structure_string": "Ba3 Yb4 O9\n1.0\n5.747166 0.004539 7.040973\n2.511930 5.169156 7.040972\n0.007247 0.004541 9.088738\nYb Ba O\n4 3 9\ndirect\n0.432993 0.432993 0.432991 Yb\n0.874202 0.874202 0.874200 Yb\n0.753618 0.753618 0.753616 Yb\n0.312650 0.312650 0.312650 Yb\n0.009947 0.009947 0.009947 Ba\n0.174993 0.174993 0.174992 Ba\n0.587339 0.587339 0.587338 Ba\n0.461083 0.601165 0.048761 O\n0.601165 0.048762 0.461082 O\n0.048762 0.461083 0.601164 O\n0.595752 0.714828 0.144079 O\n0.714828 0.144080 0.595750 O\n0.144081 0.595752 0.714826 O\n0.035601 0.590775 0.151715 O\n0.151716 0.035601 0.590774 O\n0.590775 0.151716 0.035601 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Yb",
"Ba",
"O"
],
"chemical_system": "Ba-O-Yb",
"density": 7.68938301745172,
"density_atomic": 0.05936091803441915,
"volume": 269.5376104312057,
"volume_molar": 10.144958938317282,
"formula_full": "Ba3 Yb4 O9",
"formula_reduced": "Ba3Yb4O9",
"formula_anonymous": "A3B4C9",
"energy_above_hull": 1.222513888125,
"spacegroup": 146
},
{
"id": "jvasp-109769",
"created_at": "2022-09-04T14:38:49.829022Z",
"updated_at": "2022-09-04T14:38:49.829049Z",
"structure_string": "Ce1 Y4 Mg5\n1.0\n3.769536 0.000000 0.000000\n0.000000 3.769536 0.000000\n-0.000000 -0.000000 18.967685\nCe Y Mg\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.201421 Y\n0.000000 0.000000 0.400979 Y\n0.000000 0.000000 0.599020 Y\n0.000000 0.000000 0.798580 Y\n0.500001 0.500001 0.103858 Mg\n0.500001 0.500001 0.301317 Mg\n0.500001 0.500001 0.500000 Mg\n0.500001 0.500001 0.698682 Mg\n0.500001 0.500001 0.896142 Mg\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Mg"
],
"chemical_system": "Ce-Mg-Y",
"density": 3.8030340036314154,
"density_atomic": 0.037103072998943915,
"volume": 269.5194546361331,
"volume_molar": 16.23084093377228,
"formula_full": "Ce1 Y4 Mg5",
"formula_reduced": "CeY4Mg5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.1373142550000002,
"spacegroup": 123
},
{
"id": "jvasp-43369",
"created_at": "2022-09-04T14:35:57.325146Z",
"updated_at": "2022-09-04T14:35:57.325169Z",
"structure_string": "Ag4 P4 O12\n1.0\n0.000000 5.849354 -0.144205\n4.344478 0.000000 0.000000\n0.000000 -4.078748 -10.505271\nAg P O\n4 4 12\ndirect\n0.335497 0.869807 0.075235 Ag\n0.664502 0.369806 0.424766 Ag\n0.335497 0.630194 0.575235 Ag\n0.664502 0.130194 0.924765 Ag\n0.855945 0.633428 0.170113 P\n0.144054 0.133428 0.329888 P\n0.855945 0.866573 0.670112 P\n0.144054 0.366572 0.829888 P\n0.938983 0.628855 0.787323 O\n0.061016 0.128855 0.712677 O\n0.613557 -0.008334 0.666957 O\n0.887143 0.723819 0.555162 O\n0.112856 0.276181 0.444839 O\n0.613557 0.508334 0.166957 O\n0.938983 0.871145 0.287323 O\n0.061016 0.371145 0.212677 O\n0.386442 0.491666 0.833043 O\n0.887143 0.776182 0.055162 O\n0.386443 0.008334 0.333043 O\n0.112856 0.223819 0.944839 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"P",
"O"
],
"chemical_system": "Ag-O-P",
"density": 4.60457297224311,
"density_atomic": 0.07420617251477835,
"volume": 269.5193583258448,
"volume_molar": 8.115417566915577,
"formula_full": "Ag4 P4 O12",
"formula_reduced": "AgPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.795714652,
"spacegroup": 14
},
{
"id": "jvasp-42674",
"created_at": "2022-09-04T14:35:44.502912Z",
"updated_at": "2022-09-04T14:35:44.502938Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.809491 0.000142 -0.074341\n0.000004 5.848272 -0.000194\n-0.835215 -2.924294 9.594422\nFe O F\n8 6 10\ndirect\n0.491520 0.883065 0.246132 Fe\n0.492394 0.601186 0.745907 Fe\n0.492441 0.144688 0.745848 Fe\n0.491426 0.363043 0.246165 Fe\n0.005146 0.501055 0.002365 Fe\n0.986788 0.246586 0.493200 Fe\n0.010775 0.002341 0.004279 Fe\n0.029854 0.758193 0.516414 Fe\n0.690828 0.173367 0.346765 O\n0.702685 0.424659 0.849379 O\n0.285946 0.321483 0.642905 O\n0.320951 0.831122 0.662260 O\n0.312207 0.577737 0.155514 O\n0.299472 0.074761 0.149615 O\n0.794867 0.047250 0.597982 F\n0.193831 0.945490 0.398406 F\n0.193818 0.452896 0.398401 F\n0.203499 0.699880 0.899740 F\n0.203692 0.199849 0.899646 F\n0.702725 0.924487 0.848932 F\n0.700696 0.676158 0.352305 F\n0.794861 0.550722 0.597986 F\n0.799702 0.299628 0.099986 F\n0.799875 0.800353 0.099874 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.5148458153007285,
"density_atomic": 0.08905430353705576,
"volume": 269.4984862804921,
"volume_molar": 6.762324245783551,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.907441159375,
"spacegroup": 8
}
]
}