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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=328",
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"results": [
{
"id": "jvasp-42931",
"created_at": "2022-09-04T14:38:11.004336Z",
"updated_at": "2022-09-04T14:38:11.004363Z",
"structure_string": "Li2 Co2 Si4 O12\n1.0\n-5.140398 0.036958 0.016420\n-0.036515 -5.140423 0.017315\n2.461525 2.428307 9.665674\nLi Co Si O\n2 2 4 12\ndirect\n0.111163 0.142439 0.331516 Li\n0.892440 0.361159 0.831517 Li\n0.716996 0.228152 0.505910 Co\n0.978152 0.966995 0.005910 Co\n0.398936 0.016537 0.833551 Si\n0.299927 0.430034 0.661466 Si\n0.180035 0.549922 0.161465 Si\n0.766539 0.648936 0.333550 Si\n0.800658 0.348504 0.361259 O\n0.763570 0.868382 0.475753 O\n0.494976 0.656597 0.213106 O\n0.406602 0.744972 0.713108 O\n0.359451 0.298124 0.510172 O\n0.048126 0.609450 0.010172 O\n0.618379 0.013569 0.975754 O\n0.144627 0.234581 0.163013 O\n0.984585 0.394627 0.663013 O\n0.098503 0.050654 0.861258 O\n0.483107 0.274851 0.775540 O\n0.024856 0.733108 0.275540 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 2.830402102808196,
"density_atomic": 0.07817352407645597,
"volume": 255.84109500346204,
"volume_molar": 7.7035554315169055,
"formula_full": "Li2 Co2 Si4 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 9
},
{
"id": "jvasp-54744",
"created_at": "2022-09-04T14:38:11.368436Z",
"updated_at": "2022-09-04T14:38:11.368463Z",
"structure_string": "Sr2 H8 O12\n1.0\n4.106006 2.923397 1.092577\n-4.106006 2.923397 -1.092577\n0.447900 0.000000 8.996003\nSr H O\n2 8 12\ndirect\n0.891082 0.842352 0.742828 Sr\n0.157649 0.108919 0.242828 Sr\n0.195639 0.682048 0.954260 H\n0.470524 0.223908 0.832661 H\n0.585272 0.143807 0.656891 H\n0.856194 0.414729 0.156891 H\n0.317953 0.804362 0.454260 H\n-0.223908 0.529477 0.332661 H\n0.336040 0.134881 0.521189 H\n0.865120 0.663961 0.021189 H\n0.463485 0.555911 0.937388 O\n0.463186 0.490193 0.576073 O\n-0.056924 0.527996 0.248320 O\n0.615924 -0.052261 0.175540 O\n0.052261 0.384077 0.675540 O\n0.054683 0.786594 0.977167 O\n0.213407 0.945318 0.477168 O\n0.635553 0.063546 0.051714 O\n0.936455 0.364448 0.551714 O\n0.444090 0.536516 0.437388 O\n0.472005 0.056924 0.748320 O\n0.509808 0.536815 0.076074 O\n",
"nsites": 22,
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"elements": [
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"H",
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"density": 2.9243449991968395,
"density_atomic": 0.1032352192755661,
"volume": 213.10556759970964,
"volume_molar": 5.833416931023395,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.5615624827272723,
"spacegroup": 9
},
{
"id": "jvasp-59191",
"created_at": "2022-09-04T14:38:12.072184Z",
"updated_at": "2022-09-04T14:38:12.072209Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n5.233924 -0.127711 -0.931598\n1.260227 5.081545 0.931598\n-0.213377 0.279723 9.272495\nLi Fe P O\n2 2 4 14\ndirect\n0.282196 0.345402 0.518948 Li\n0.654597 0.717805 0.018948 Li\n0.722781 0.637022 0.481376 Fe\n0.362978 0.277220 0.981376 Fe\n0.806904 0.205260 0.292192 P\n0.189481 0.790932 0.704358 P\n0.794739 0.193095 0.792191 P\n0.209068 0.810519 0.204357 P\n0.075429 0.606438 0.612837 O\n0.928295 0.936806 0.748736 O\n0.998568 0.302596 0.885881 O\n0.606235 0.095841 0.885586 O\n0.063192 0.071704 0.248736 O\n0.904158 0.393764 0.385587 O\n0.393561 0.924569 0.112838 O\n0.607826 0.362507 0.143881 O\n0.014638 0.692089 0.116991 O\n0.637495 0.392174 0.643880 O\n0.370472 0.627924 0.859214 O\n0.307910 0.985361 0.616991 O\n0.697401 0.001432 0.385882 O\n0.372073 0.629526 0.359214 O\n",
"nsites": 22,
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"elements": [
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"P",
"O"
],
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"density": 3.2033369562476026,
"density_atomic": 0.08963841194760272,
"volume": 245.43049706034384,
"volume_molar": 6.718259091337076,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.772115545454545,
"spacegroup": 9
},
{
"id": "jvasp-11490",
"created_at": "2022-09-04T14:38:12.502806Z",
"updated_at": "2022-09-04T14:38:12.502825Z",
"structure_string": "Na8 Co2 O6\n1.0\n5.757637 0.000000 0.000000\n-2.878818 4.974395 -2.249694\n0.000000 0.004726 8.159020\nNa Co O\n8 2 6\ndirect\n0.437614 0.531840 0.971346 Na\n0.480985 0.372750 0.289347 Na\n0.921900 0.163971 0.063201 Na\n0.242072 0.163971 0.563201 Na\n0.650660 0.972626 0.389562 Na\n0.321966 0.972627 0.889562 Na\n0.891766 0.372751 0.789347 Na\n0.094226 0.531839 0.471346 Na\n0.018191 0.719619 0.187050 Co\n0.701428 0.719619 0.687051 Co\n0.257721 0.614403 0.226545 O\n0.356683 0.614404 0.726545 O\n0.695656 0.381224 0.047101 O\n0.685569 0.381224 0.547101 O\n0.026095 0.037851 0.270751 O\n0.011757 0.037852 0.770751 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Co-Na-O",
"density": 2.8258998830214237,
"density_atomic": 0.06845161236214815,
"volume": 233.7417549107661,
"volume_molar": 8.797660934762842,
"formula_full": "Na8 Co2 O6",
"formula_reduced": "Na4CoO3",
"formula_anonymous": "AB3C4",
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},
{
"id": "jvasp-56650",
"created_at": "2022-09-04T14:38:12.864515Z",
"updated_at": "2022-09-04T14:38:12.864544Z",
"structure_string": "Na12 Fe4 O12\n1.0\n5.749903 -0.014267 2.163919\n2.518242 7.926131 1.816706\n-0.021276 0.031049 8.512584\nNa Fe O\n12 4 12\ndirect\n0.381456 0.251573 0.207354 Na\n0.517298 0.350087 0.826104 Na\n0.881456 0.207354 0.251574 Na\n0.968344 0.721313 0.771838 Na\n0.222819 0.021436 0.961482 Na\n0.001873 0.060181 0.633828 Na\n0.468344 0.771837 0.721314 Na\n0.722819 0.961482 0.021437 Na\n0.501874 0.633828 0.060181 Na\n0.948410 0.437113 0.523579 Na\n0.448410 0.523579 0.437114 Na\n0.017299 0.826103 0.350088 Na\n0.455906 0.877415 0.354624 Fe\n0.531463 0.123089 0.599112 Fe\n0.031463 0.599112 0.123090 Fe\n0.955906 0.354623 0.877415 Fe\n0.686807 0.688381 0.228006 O\n0.121259 0.398539 0.011142 O\n0.703067 0.282518 0.533123 O\n0.621259 0.011141 0.398539 O\n0.186807 0.228005 0.688382 O\n0.203067 0.533123 0.282519 O\n0.252665 0.787392 0.543074 O\n0.632410 0.969481 0.773231 O\n0.132411 0.773230 0.969481 O\n0.768774 0.217439 0.012432 O\n0.752664 0.543073 0.787392 O\n0.268774 0.012432 0.217439 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.954769820479321,
"density_atomic": 0.07207711988338998,
"volume": 388.47279199418375,
"volume_molar": 8.3551351243542,
"formula_full": "Na12 Fe4 O12",
"formula_reduced": "Na3FeO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.168666142857143,
"spacegroup": 9
},
{
"id": "jvasp-59261",
"created_at": "2022-09-04T14:38:12.922807Z",
"updated_at": "2022-09-04T14:38:12.922833Z",
"structure_string": "Si4 P4 N12\n1.0\n9.414767 0.008066 0.013798\n0.004187 5.300650 -0.049043\n0.004187 -2.643470 4.594710\nSi P N\n4 4 12\ndirect\n0.750876 0.326839 0.006205 Si\n0.250876 0.006205 0.326838 Si\n0.002618 0.997558 0.680756 Si\n0.502618 0.680756 0.997558 Si\n0.748752 0.989310 0.326779 P\n0.497291 0.004599 0.662377 P\n0.248752 0.326778 0.989309 P\n0.997291 0.662378 0.004600 P\n0.966685 0.750513 0.773773 N\n0.921635 0.898636 0.338960 N\n0.177869 0.094554 0.665383 N\n0.677869 0.665384 0.094554 N\n0.671898 0.085110 0.656746 N\n0.466684 0.773773 0.750512 N\n0.428320 0.922124 0.340994 N\n0.421635 0.338960 0.898635 N\n0.217762 0.250285 0.228516 N\n0.171897 0.656746 0.085109 N\n0.717762 0.228517 0.250285 N\n0.928320 0.340995 0.922124 N\n",
"nsites": 20,
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"elements": [
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"N"
],
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"density": 2.943702440626412,
"density_atomic": 0.08769045484840912,
"volume": 228.07499441728393,
"volume_molar": 6.86749860108549,
"formula_full": "Si4 P4 N12",
"formula_reduced": "SiPN3",
"formula_anonymous": "ABC3",
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"spacegroup": 9
},
{
"id": "jvasp-9863",
"created_at": "2022-09-04T14:38:13.853627Z",
"updated_at": "2022-09-04T14:38:13.853654Z",
"structure_string": "Ca4 Y2 Bi2 O10\n1.0\n5.984957 0.001363 -0.008168\n0.002601 6.110795 0.093676\n-2.985932 -2.842573 7.886060\nCa Y Bi O\n4 2 2 10\ndirect\n0.333691 0.953209 0.689401 Ca\n0.101303 0.697326 0.241337 Ca\n0.644716 0.197325 0.241417 Ca\n0.859982 0.453255 0.689409 Ca\n0.719577 0.845672 0.471366 Y\n0.256040 0.345623 0.471477 Y\n0.469983 0.545042 0.018410 Bi\n0.053084 0.045167 0.018501 Bi\n0.368825 0.136057 0.965748 O\n0.961519 0.335594 0.200833 O\n0.299147 0.037748 0.257243 O\n0.547458 0.658099 0.601627 O\n0.024190 0.146817 0.547042 O\n0.558607 0.158245 0.602097 O\n0.027127 0.646924 0.547393 O\n0.101345 0.636268 0.965749 O\n0.462713 0.537696 0.257002 O\n0.743685 0.835404 0.200675 O\n",
"nsites": 18,
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"elements": [
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"Y",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Y",
"density": 5.247997026789859,
"density_atomic": 0.06209895578355038,
"volume": 289.8599464818712,
"volume_molar": 9.69765221333275,
"formula_full": "Ca4 Y2 Bi2 O10",
"formula_reduced": "Ca2YBiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6599308988888888,
"spacegroup": 9
},
{
"id": "jvasp-52493",
"created_at": "2022-09-04T14:38:15.486369Z",
"updated_at": "2022-09-04T14:38:15.486393Z",
"structure_string": "Nb2 O4 F2\n1.0\n2.111635 -4.932859 -0.081885\n3.414896 4.458865 -0.350251\n-0.079252 -2.893539 4.518846\nNb O F\n2 4 2\ndirect\n0.683497 0.139694 0.745169 Nb\n0.245167 0.639694 0.183497 Nb\n0.049441 0.414509 0.887136 O\n0.464737 0.400179 0.061313 O\n0.387135 0.914510 0.549442 O\n0.561312 0.900180 0.964739 O\n0.881301 0.409272 0.469845 F\n0.969844 0.909273 0.381302 F\n",
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],
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"density_atomic": 0.06827614805640395,
"volume": 117.17122637602638,
"volume_molar": 8.820270228228194,
"formula_full": "Nb2 O4 F2",
"formula_reduced": "NbO2F",
"formula_anonymous": "ABC2",
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"spacegroup": 9
},
{
"id": "jvasp-10250",
"created_at": "2022-09-04T14:38:15.941523Z",
"updated_at": "2022-09-04T14:38:15.941547Z",
"structure_string": "Tl8 Si2 S8\n1.0\n7.264146 0.003583 2.191178\n2.267998 8.141493 0.912047\n-0.017006 0.005720 8.500543\nTl Si S\n8 2 8\ndirect\n0.486510 0.597757 0.372662 Tl\n0.581234 0.992936 0.245249 Tl\n0.081233 0.245249 0.992936 Tl\n0.552717 0.405729 0.981564 Tl\n0.052717 0.981563 0.405730 Tl\n0.576943 0.785731 0.786900 Tl\n0.076942 0.786900 0.785731 Tl\n-0.013491 0.372662 0.597758 Tl\n0.028921 0.619283 0.201251 Si\n0.528921 0.201250 0.619284 Si\n0.204382 0.780463 0.086762 S\n0.352234 0.050389 0.603235 S\n0.844344 0.720682 0.430516 S\n0.203919 0.379148 0.248139 S\n0.703919 0.248139 0.379148 S\n0.704382 0.086761 0.780464 S\n0.852235 0.603235 0.050390 S\n0.344343 0.430515 0.720682 S\n",
"nsites": 18,
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"elements": [
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],
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"density": 6.430645083026793,
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"volume": 502.95533546020255,
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"formula_full": "Tl8 Si2 S8",
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"formula_anonymous": "AB4C4",
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"spacegroup": 9
},
{
"id": "jvasp-52516",
"created_at": "2022-09-04T14:38:17.314668Z",
"updated_at": "2022-09-04T14:38:17.314685Z",
"structure_string": "Sb2 O4 F2\n1.0\n1.940611 -4.645563 -0.105064\n3.418359 4.328211 -0.290687\n-0.126070 -2.721856 4.234841\nSb O F\n2 4 2\ndirect\n0.689308 0.150146 0.752785 Sb\n0.252785 0.650146 0.189308 Sb\n0.102210 0.413153 0.818367 O\n0.459049 0.399608 0.126438 O\n0.318368 0.913153 0.602209 O\n0.626438 0.899608 0.959049 O\n0.836312 0.400740 0.457962 F\n0.957961 0.900740 0.336313 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.6229914234055105,
"density_atomic": 0.07840470956576097,
"volume": 102.0346870016794,
"volume_molar": 7.680840594083197,
"formula_full": "Sb2 O4 F2",
"formula_reduced": "SbO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.163520845625,
"spacegroup": 9
},
{
"id": "jvasp-24912",
"created_at": "2022-09-04T14:38:18.315166Z",
"updated_at": "2022-09-04T14:38:18.315183Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n4.910119 -0.014181 -0.420832\n-2.117212 4.430224 -0.420832\n-0.066464 -0.105090 9.513142\nB Cl O F\n2 2 4 8\ndirect\n0.580222 0.433707 0.484840 B\n0.433708 0.580221 0.984840 B\n0.932859 0.074059 0.248537 Cl\n0.074060 0.932857 0.748537 Cl\n0.290042 0.867674 0.681498 O\n0.137044 0.976363 0.189578 O\n0.976364 0.137043 0.689578 O\n0.867675 0.290041 0.181498 O\n0.625024 0.484808 0.638656 F\n0.484809 0.625023 0.138656 F\n0.293249 0.431317 0.437794 F\n0.572997 0.154809 0.436401 F\n0.672457 0.813371 0.937397 F\n0.813372 0.672456 0.437397 F\n0.431318 0.293249 0.937793 F\n0.154810 0.572995 0.936401 F\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "B-Cl-F-O",
"density": 2.4842530261561158,
"density_atomic": 0.0775878092357046,
"volume": 206.21796333227397,
"volume_molar": 7.761710015171703,
"formula_full": "B2 Cl2 O4 F8",
"formula_reduced": "BCl(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0822455976041665,
"spacegroup": 9
},
{
"id": "jvasp-53347",
"created_at": "2022-09-04T14:38:19.652245Z",
"updated_at": "2022-09-04T14:38:19.652273Z",
"structure_string": "In4 S6\n1.0\n6.866290 0.042535 -0.019490\n2.269447 6.508719 0.001428\n1.152335 3.246872 5.922660\nIn S\n4 6\ndirect\n0.002176 0.980739 -0.000710 In\n0.502110 0.814769 0.331535 In\n0.498366 0.184957 0.646140 In\n-0.001708 0.665565 0.684708 In\n0.148701 0.600874 0.015412 S\n0.112098 0.986326 0.330164 S\n0.612177 0.151143 0.000665 S\n0.108062 0.301231 0.640121 S\n0.648762 0.451022 0.315418 S\n0.607986 0.776049 0.690710 S\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.097548720380228,
"density_atomic": 0.03786627910422139,
"volume": 264.0872099547057,
"volume_molar": 15.90370351262911,
"formula_full": "In4 S6",
"formula_reduced": "In2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8866599879999999,
"spacegroup": 9
}
]
}