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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=92",
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"results": [
{
"id": "jvasp-95286",
"created_at": "2022-09-04T14:36:04.862083Z",
"updated_at": "2022-09-04T14:36:04.862116Z",
"structure_string": "Sr4 Li4 B4 O12\n1.0\n6.083266 0.000000 -2.194235\n0.000000 6.733810 0.000000\n-0.017395 0.000000 6.919157\nSr Li B O\n4 4 4 12\ndirect\n0.197834 0.124411 0.864874 Sr\n0.802166 0.875589 0.135126 Sr\n0.697835 0.375589 0.364874 Sr\n0.302165 0.624411 0.635126 Sr\n0.601621 0.090925 0.694689 Li\n0.898379 0.590925 0.805311 Li\n0.398379 0.909075 0.305311 Li\n0.101621 0.409075 0.194689 Li\n0.189910 0.135737 0.426076 B\n0.689910 0.364263 0.926075 B\n0.810090 0.864263 0.573924 B\n0.310090 0.635737 0.073924 B\n0.840330 0.886339 0.782700 O\n0.392559 0.801134 0.007256 O\n0.159669 0.113661 0.217300 O\n0.340330 0.613660 0.282700 O\n0.804217 0.509916 0.062395 O\n0.304216 0.990084 0.562395 O\n0.195783 0.490084 0.937605 O\n0.892559 0.698865 0.507256 O\n0.107441 0.301135 0.492744 O\n0.659669 0.386339 0.717300 O\n0.695783 0.009916 0.437604 O\n0.607441 0.198865 0.992744 O\n",
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"volume": 283.1762641976581,
"volume_molar": 7.105530512038523,
"formula_full": "Sr4 Li4 B4 O12",
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{
"id": "jvasp-56628",
"created_at": "2022-09-04T14:38:31.069884Z",
"updated_at": "2022-09-04T14:38:31.069902Z",
"structure_string": "Fe4 Te4 O12 F4\n1.0\n0.000000 5.093194 0.016154\n5.051628 0.000000 0.000000\n0.000000 -3.508440 -12.469576\nFe Te O F\n4 4 12 4\ndirect\n0.110588 0.759797 0.073096 Fe\n0.889412 0.240203 0.926904 Fe\n0.889412 0.259797 0.426904 Fe\n0.110588 0.740203 0.573096 Fe\n0.319283 0.787173 0.830972 Te\n0.319283 0.712828 0.330972 Te\n0.680717 0.287173 0.669029 Te\n0.680717 0.212827 0.169029 Te\n0.063877 0.584066 0.201823 O\n0.936123 0.084066 0.298177 O\n0.867271 0.431296 0.569174 O\n0.132728 0.568705 0.430827 O\n0.550214 0.096876 0.837910 O\n0.936123 0.415935 0.798177 O\n0.449786 0.596876 0.662090 O\n0.867271 0.068704 0.069174 O\n0.063877 0.915935 0.701823 O\n0.132728 0.931296 0.930827 O\n0.550214 0.403124 0.337910 O\n0.449785 0.903124 0.162090 O\n0.247981 0.067542 0.515446 F\n0.247981 0.432458 0.015446 F\n0.752019 0.567542 0.984555 F\n0.752019 0.932459 0.484554 F\n",
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"elements": [
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],
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"density": 5.189553910039793,
"density_atomic": 0.0748730811638602,
"volume": 320.5424383093819,
"volume_molar": 8.043132012719642,
"formula_full": "Fe4 Te4 O12 F4",
"formula_reduced": "FeTeO3F",
"formula_anonymous": "ABCD3",
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"spacegroup": 14
},
{
"id": "jvasp-42744",
"created_at": "2022-09-04T14:36:04.547952Z",
"updated_at": "2022-09-04T14:36:04.547971Z",
"structure_string": "Li4 Mn4 B4 O12\n1.0\n5.197320 0.006479 0.015906\n2.585275 4.508717 -0.015906\n-0.183562 0.316396 10.342163\nLi Mn B O\n4 4 4 12\ndirect\n0.321393 0.652082 0.333174 Li\n0.347919 0.678609 0.833174 Li\n0.652499 0.337241 0.583298 Li\n0.662760 0.347502 0.083298 Li\n0.331098 0.000633 0.115810 Mn\n0.676209 0.007046 0.865644 Mn\n0.992955 0.323792 0.365644 Mn\n-0.000632 0.668903 0.615810 Mn\n0.657159 0.998316 0.374203 B\n0.997370 0.665504 0.124004 B\n0.001685 0.342842 0.874203 B\n0.334496 0.002631 0.624004 B\n0.751252 0.933017 0.084008 O\n0.066984 0.248749 0.584008 O\n0.255564 0.068629 0.902274 O\n0.031030 0.583908 0.834970 O\n0.581278 0.034231 0.652769 O\n0.272992 0.641396 0.138826 O\n0.358605 0.727009 0.638826 O\n0.628687 0.275131 0.389116 O\n0.724870 0.371315 0.889116 O\n0.416094 0.968971 0.334970 O\n0.965770 0.418723 0.152769 O\n0.931372 0.744437 0.402274 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.3093821743367635,
"density_atomic": 0.09907956796974593,
"volume": 242.22955844264914,
"volume_molar": 6.078085404892831,
"formula_full": "Li4 Mn4 B4 O12",
"formula_reduced": "LiMnBO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 9
},
{
"id": "jvasp-26807",
"created_at": "2022-09-04T14:38:31.505332Z",
"updated_at": "2022-09-04T14:38:31.505349Z",
"structure_string": "Dy2 Ti2 Cl2 O6\n1.0\n3.827293 0.000000 0.771797\n1.710449 4.798768 1.393544\n0.010691 0.041153 9.822551\nDy Ti Cl O\n2 2 2 6\ndirect\n0.778888 0.239876 0.202347 Dy\n0.221112 0.760123 0.797653 Dy\n0.618559 0.192404 0.570476 Ti\n0.381440 0.807596 0.429524 Ti\n0.112596 0.678493 0.096314 Cl\n0.887403 0.321507 0.903686 Cl\n0.167699 0.099369 0.565233 O\n0.578649 0.467957 0.374745 O\n0.648454 0.952206 0.750885 O\n0.351545 0.047794 0.249115 O\n0.832301 0.900630 0.434767 O\n0.421351 0.532042 0.625255 O\n",
"nsites": 12,
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"density_atomic": 0.06659301735699033,
"volume": 180.19907306002779,
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"formula_full": "Dy2 Ti2 Cl2 O6",
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"spacegroup": 12
},
{
"id": "jvasp-4864",
"created_at": "2022-09-04T14:37:04.161022Z",
"updated_at": "2022-09-04T14:37:04.161038Z",
"structure_string": "Ba4 B4 O4 F12\n1.0\n5.129331 -0.000000 0.000000\n0.000000 6.863170 0.000000\n0.000000 0.000000 9.248921\nBa B O F\n4 4 4 12\ndirect\n0.250000 0.327883 0.691187 Ba\n0.750000 0.672117 0.308813 Ba\n0.750000 0.827883 0.808813 Ba\n0.250000 0.172117 0.191187 Ba\n0.250000 0.824745 0.578244 B\n0.750000 0.175255 0.421756 B\n0.750000 0.324745 0.921755 B\n0.250000 0.675255 0.078244 B\n0.250000 0.936306 0.697799 O\n0.250000 0.563694 0.197799 O\n0.750000 0.436306 0.802200 O\n0.750000 0.063694 0.302200 O\n0.975300 0.316256 0.429983 F\n0.250000 0.585627 0.935554 F\n0.750000 0.414373 0.064446 F\n0.750000 0.085627 0.564446 F\n0.250000 0.914373 0.435554 F\n0.524700 0.316256 0.429983 F\n0.975300 0.183744 0.929983 F\n0.475300 0.816255 0.070017 F\n0.024700 0.683744 0.570017 F\n0.024700 0.816255 0.070017 F\n0.524700 0.183744 0.929983 F\n0.475300 0.683744 0.570017 F\n",
"nsites": 24,
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"elements": [
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"density": 4.511129849840944,
"density_atomic": 0.07371140511815688,
"volume": 325.5941188684277,
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"formula_full": "Ba4 B4 O4 F12",
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"spacegroup": 62
},
{
"id": "jvasp-29145",
"created_at": "2022-09-04T14:37:37.598587Z",
"updated_at": "2022-09-04T14:37:37.598607Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.381961 0.000000 -0.000000\n-1.690980 2.928828 -0.000009\n-0.000000 -0.000111 38.353537\nTe Mo W Se\n2 2 2 6\ndirect\n0.333358 0.666716 0.706447 Te\n0.333355 0.666713 0.608544 Te\n0.333307 0.666614 0.093919 Mo\n0.666692 0.333384 0.657561 Mo\n0.333313 0.666626 0.469639 W\n0.666688 0.333376 0.281795 W\n0.333355 0.666710 0.325100 Se\n0.666637 0.333274 0.050918 Se\n0.666648 0.333296 0.426355 Se\n0.666646 0.333290 0.137033 Se\n0.666649 0.333297 0.512937 Se\n0.333353 0.666708 0.238498 Se\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.632126196581158,
"density_atomic": 0.03158736231858223,
"volume": 379.8987670756109,
"volume_molar": 19.065032082331523,
"formula_full": "Te2 Mo2 W2 Se6",
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},
{
"id": "jvasp-57533",
"created_at": "2022-09-04T14:38:32.739655Z",
"updated_at": "2022-09-04T14:38:32.739685Z",
"structure_string": "Ho4 Te4 Cl4 O12\n1.0\n6.960790 -0.000000 0.000000\n0.000000 7.215885 0.000000\n0.000000 0.000000 9.113693\nHo Te Cl O\n4 4 4 12\ndirect\n0.250000 0.592078 0.963501 Ho\n0.750000 0.407923 0.036499 Ho\n0.750000 0.907923 0.463501 Ho\n0.250000 0.092078 0.536499 Ho\n0.750000 0.827420 0.870276 Te\n0.250000 0.672581 0.370276 Te\n0.750000 0.327420 0.629723 Te\n0.250000 0.172581 0.129723 Te\n0.750000 0.561044 0.315211 Cl\n0.750000 0.061043 0.184789 Cl\n0.250000 0.938957 0.815210 Cl\n0.250000 0.438957 0.684789 Cl\n0.250000 0.240969 0.328162 O\n0.250000 0.740969 0.171838 O\n0.750000 0.759032 0.671838 O\n0.565747 0.650403 0.937780 O\n0.934253 0.650403 0.937780 O\n0.434253 0.349598 0.062220 O\n0.065747 0.349598 0.062220 O\n0.434253 0.849598 0.437780 O\n0.565747 0.150402 0.562220 O\n0.934253 0.150402 0.562220 O\n0.750000 0.259031 0.828162 O\n0.065747 0.849598 0.437780 O\n",
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"elements": [
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],
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"density_atomic": 0.05242865442409263,
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"spacegroup": 62
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{
"id": "jvasp-28675",
"created_at": "2022-09-04T14:37:35.940306Z",
"updated_at": "2022-09-04T14:37:35.940337Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224911 -0.000006 0.000001\n-1.612460 2.792848 -0.000038\n-0.000002 -0.000434 34.112706\nMo W Se S\n2 2 2 6\ndirect\n0.333309 0.666622 0.096638 Mo\n0.666687 0.333371 0.658154 Mo\n0.333337 0.666667 0.468952 W\n0.666668 0.333340 0.279173 W\n0.666673 0.333340 0.418492 Se\n0.666666 0.333327 0.519411 Se\n0.333352 0.666708 0.325043 S\n0.333363 0.666725 0.703728 S\n0.666632 0.333266 0.051063 S\n0.666652 0.333310 0.142253 S\n0.333318 0.666640 0.233318 S\n0.333345 0.666684 0.612522 S\n",
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"elements": [
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],
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"density": 4.9175377776440925,
"density_atomic": 0.039057146229449446,
"volume": 307.24210953620286,
"volume_molar": 15.418793591886267,
"formula_full": "Mo2 W2 Se2 S6",
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"spacegroup": 156
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{
"id": "jvasp-120724",
"created_at": "2022-09-04T14:38:53.795992Z",
"updated_at": "2022-09-04T14:38:53.796017Z",
"structure_string": "Rb4 Cu4 Te4 S12\n1.0\n10.570131 0.000000 0.000000\n-0.000000 7.103955 2.022549\n-0.000000 0.003138 8.083214\nRb Cu Te S\n4 4 4 12\ndirect\n0.239847 0.474456 0.883383 Rb\n0.760153 0.525545 0.116617 Rb\n0.739847 0.525545 0.616616 Rb\n0.260153 0.474456 0.383383 Rb\n0.249507 0.914661 0.520336 Cu\n0.750493 0.085340 0.479663 Cu\n0.749507 0.085340 0.979663 Cu\n0.250493 0.914661 0.020336 Cu\n0.999171 0.063928 0.732935 Te\n0.000828 0.936073 0.267064 Te\n0.499171 0.936074 0.767064 Te\n0.500828 0.063927 0.232936 Te\n0.938116 0.263260 0.914804 S\n0.060201 0.738542 0.548604 S\n0.939799 0.261459 0.451395 S\n0.560201 0.261459 0.951395 S\n0.439799 0.738542 0.048605 S\n0.729921 0.892978 0.776180 S\n0.270079 0.107023 0.223819 S\n0.229921 0.107023 0.723819 S\n0.770079 0.892978 0.276181 S\n0.438116 0.736741 0.585195 S\n0.561884 0.263260 0.414805 S\n0.061884 0.736741 0.085195 S\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.080173206166361,
"density_atomic": 0.03954527475940322,
"volume": 606.8993108789361,
"volume_molar": 15.228471155249803,
"formula_full": "Rb4 Cu4 Te4 S12",
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"formula_anonymous": "ABCD3",
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"spacegroup": 14
},
{
"id": "jvasp-62279",
"created_at": "2022-09-04T14:36:04.531871Z",
"updated_at": "2022-09-04T14:36:04.531898Z",
"structure_string": "P4 Au4 Cl4 F12\n1.0\n4.614935 -0.000000 0.000000\n-0.000000 5.400062 0.000000\n0.000000 0.000000 18.065201\nP Au Cl F\n4 4 4 12\ndirect\n0.493891 0.750000 0.352438 P\n0.993890 0.250000 0.147562 P\n0.506108 0.250000 0.647562 P\n0.006109 0.750000 0.852438 P\n0.349138 0.750000 0.468589 Au\n0.849137 0.250000 0.031411 Au\n0.650861 0.250000 0.531411 Au\n0.150862 0.750000 0.968589 Au\n0.872744 0.250000 0.417249 Cl\n0.372745 0.750000 0.082751 Cl\n0.127255 0.750000 0.582751 Cl\n0.627254 0.250000 0.917249 Cl\n0.384218 0.529100 0.303924 F\n0.820222 0.750000 0.329537 F\n0.320222 0.250000 0.170462 F\n0.179777 0.250000 0.670462 F\n0.679777 0.750000 0.829537 F\n0.384218 0.970899 0.303924 F\n0.884218 0.029100 0.196076 F\n0.615780 0.470899 0.696076 F\n0.115781 0.529100 0.803924 F\n0.615780 0.029100 0.696076 F\n0.115781 0.970899 0.803924 F\n0.884218 0.470899 0.196076 F\n",
"nsites": 24,
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"elements": [
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"Cl",
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],
"chemical_system": "Au-Cl-F-P",
"density": 4.726927380384072,
"density_atomic": 0.053309438602577024,
"volume": 450.2017021586083,
"volume_molar": 11.296575086628064,
"formula_full": "P4 Au4 Cl4 F12",
"formula_reduced": "PAuClF3",
"formula_anonymous": "ABCD3",
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"spacegroup": 62
},
{
"id": "jvasp-29022",
"created_at": "2022-09-04T14:38:32.793383Z",
"updated_at": "2022-09-04T14:38:32.793409Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.503564 0.000000 0.000000\n-1.751782 3.034174 -0.000014\n0.000000 -0.000227 36.989371\nTe Mo W Se\n6 2 2 2\ndirect\n0.333352 0.666704 0.709654 Te\n0.666623 0.333246 0.046882 Te\n0.666690 0.333381 0.415642 Te\n0.666637 0.333273 0.146091 Te\n0.666686 0.333373 0.515344 Te\n0.333349 0.666698 0.610434 Te\n0.333296 0.666592 0.096452 Mo\n0.666684 0.333369 0.660090 Mo\n0.333356 0.666710 0.465485 W\n0.666662 0.333325 0.280895 W\n0.333336 0.666673 0.324775 Se\n0.333321 0.666644 0.237007 Se\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Mo-Se-Te-W",
"density": 6.263054512858705,
"density_atomic": 0.030517837913279833,
"volume": 393.21265268199755,
"volume_molar": 19.733182858866506,
"formula_full": "Te6 Mo2 W2 Se2",
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"formula_anonymous": "ABCD3",
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"spacegroup": 156
},
{
"id": "jvasp-42082",
"created_at": "2022-09-04T14:37:39.515515Z",
"updated_at": "2022-09-04T14:37:39.515537Z",
"structure_string": "K2 P2 Au2 Se6\n1.0\n-6.069460 -3.638826 0.027270\n-6.069460 3.638826 0.027270\n3.434581 0.000000 -7.422577\nK P Au Se\n2 2 2 6\ndirect\n0.301709 0.301709 0.253322 K\n0.698291 0.698291 0.746678 K\n0.977405 0.977405 0.350039 P\n0.022595 0.022595 0.649961 P\n0.738850 0.261152 -0.000000 Au\n0.261152 0.738850 -0.000000 Au\n0.781941 0.781941 0.194774 Se\n0.824545 0.332477 0.328600 Se\n0.332477 0.824545 0.328600 Se\n0.667523 0.175455 0.671401 Se\n0.175455 0.667523 0.671401 Se\n0.218060 0.218060 0.805226 Se\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.115019526931388,
"density_atomic": 0.03667659701033092,
"volume": 327.18411679851016,
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"formula_full": "K2 P2 Au2 Se6",
"formula_reduced": "KPAuSe3",
"formula_anonymous": "ABCD3",
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"spacegroup": 12
}
]
}