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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3811",
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"results": [
{
"id": "jvasp-50719",
"created_at": "2022-09-04T14:36:20.688809Z",
"updated_at": "2022-09-04T14:36:20.688832Z",
"structure_string": "Li8 Cu4 F16\n1.0\n7.450196 0.000000 -0.000000\n-0.000000 7.450196 0.000000\n-0.000000 -0.000000 5.344650\nLi Cu F\n8 4 16\ndirect\n0.171387 0.171387 0.250000 Li\n0.828613 0.171387 0.750000 Li\n0.328613 0.328613 0.750000 Li\n0.671388 0.328613 0.250000 Li\n0.328613 0.671388 0.250000 Li\n0.671388 0.671388 0.750000 Li\n0.171387 0.828613 0.750000 Li\n0.828613 0.828613 0.250000 Li\n0.000000 0.500000 0.944085 Cu\n0.000000 0.500000 0.444085 Cu\n0.500000 0.000000 0.555915 Cu\n0.500000 0.000000 0.055915 Cu\n0.568598 0.756190 0.070168 F\n0.431403 0.756190 0.570168 F\n0.068598 0.743810 0.429832 F\n0.931403 0.743810 0.929832 F\n0.756190 0.568598 0.429832 F\n0.243810 0.568598 0.929832 F\n0.756190 0.431403 0.929832 F\n0.743810 0.068598 0.070168 F\n0.931403 0.256190 0.429832 F\n0.068598 0.256190 0.929832 F\n0.568598 0.243810 0.570168 F\n0.431403 0.243810 0.070168 F\n0.256190 0.931403 0.070168 F\n0.256190 0.068598 0.570168 F\n0.243810 0.431403 0.429832 F\n0.743810 0.931403 0.570168 F\n",
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"formula_full": "Li8 Cu4 F16",
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{
"id": "jvasp-57724",
"created_at": "2022-09-04T14:37:57.419953Z",
"updated_at": "2022-09-04T14:37:57.419986Z",
"structure_string": "Ca3 P2 O8\n1.0\n4.869789 -0.006378 4.932160\n2.020479 4.430864 4.932160\n-0.009932 -0.006378 6.931158\nCa P O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.202655 0.202655 0.202655 Ca\n0.797346 0.797343 0.797345 Ca\n0.404979 0.404978 0.404979 P\n0.595022 0.595021 0.595022 P\n0.727440 0.727438 0.246175 O\n0.727440 0.246174 0.727439 O\n0.246175 0.727438 0.727439 O\n0.753826 0.272561 0.272561 O\n0.272562 0.272561 0.753826 O\n0.322900 0.322899 0.322899 O\n0.677102 0.677100 0.677101 O\n0.272562 0.753825 0.272561 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 3.4348249417959758,
"density_atomic": 0.08669412305864448,
"volume": 149.9524943715748,
"volume_molar": 6.946423295528701,
"formula_full": "Ca3 P2 O8",
"formula_reduced": "Ca3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.0255415584615384,
"spacegroup": 166
},
{
"id": "jvasp-51696",
"created_at": "2022-09-04T14:37:57.660455Z",
"updated_at": "2022-09-04T14:37:57.660473Z",
"structure_string": "K6 H10 Pt2\n1.0\n7.326733 -0.000000 -0.000000\n-0.000000 7.326733 0.000000\n-0.000000 0.000000 5.717372\nK H Pt\n6 10 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.183866 0.683865 0.500000 K\n0.816134 0.316134 0.500000 K\n0.683865 0.816134 0.500000 K\n0.316134 0.183866 0.500000 K\n0.114976 0.385024 0.203074 H\n0.885024 0.614976 0.203074 H\n0.614976 0.114976 0.203074 H\n0.385024 0.885024 0.203074 H\n0.885024 0.614976 0.796926 H\n0.614976 0.114976 0.796926 H\n0.385024 0.885024 0.796926 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.114976 0.385024 0.796926 H\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n",
"nsites": 18,
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"elements": [
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"H",
"Pt"
],
"chemical_system": "H-K-Pt",
"density": 3.4347432907555064,
"density_atomic": 0.05864828595642805,
"volume": 306.91434040157384,
"volume_molar": 10.268229773115737,
"formula_full": "K6 H10 Pt2",
"formula_reduced": "K3H5Pt",
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},
{
"id": "jvasp-10545",
"created_at": "2022-09-04T14:37:13.117004Z",
"updated_at": "2022-09-04T14:37:13.117032Z",
"structure_string": "K4 Ge2 Se6\n1.0\n6.805341 -0.027681 -0.011089\n2.912238 6.790467 0.084532\n2.477297 1.305792 8.112244\nK Ge Se\n4 2 6\ndirect\n0.392323 0.796592 0.887834 K\n0.607678 0.203408 0.112166 K\n0.143365 0.465270 0.683832 K\n0.856636 0.534730 0.316167 K\n0.856868 0.059919 0.687131 Ge\n0.143133 0.940082 0.312868 Ge\n0.655298 0.391628 0.714231 Se\n0.344702 0.608374 0.285768 Se\n0.867225 0.810298 0.921002 Se\n0.132775 0.189703 0.078997 Se\n0.225840 0.044828 0.533633 Se\n0.774161 0.955172 0.466366 Se\n",
"nsites": 12,
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],
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"density": 3.4344330035410775,
"density_atomic": 0.032006840540634206,
"volume": 374.91985454688756,
"volume_molar": 18.815167815000688,
"formula_full": "K4 Ge2 Se6",
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"spacegroup": 2
},
{
"id": "jvasp-45915",
"created_at": "2022-09-04T14:38:06.546708Z",
"updated_at": "2022-09-04T14:38:06.546729Z",
"structure_string": "Li2 Ni2 P2 O8\n1.0\n4.811418 0.000001 0.000000\n0.000000 -2.777873 7.747471\n2.405710 -4.166810 0.000000\nLi Ni P O\n2 2 2 8\ndirect\n0.006157 0.018471 0.987686 Li\n0.569347 0.708040 0.861307 Li\n0.449302 0.347903 0.101397 Ni\n0.126206 0.378618 0.747587 Ni\n0.863781 0.591341 0.272440 P\n0.711724 0.135168 0.576555 P\n0.158743 0.522494 0.018799 O\n0.034216 0.204020 0.549028 O\n0.541294 0.522494 0.299964 O\n0.416756 0.204020 0.830196 O\n0.753050 0.204020 0.212737 O\n0.928097 0.784288 0.143808 O\n0.647408 0.942221 0.705186 O\n0.822457 0.522494 0.636249 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.4340247239902135,
"density_atomic": 0.09013453818571647,
"volume": 155.32336751039753,
"volume_molar": 6.681279874748747,
"formula_full": "Li2 Ni2 P2 O8",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0662717,
"spacegroup": 148
},
{
"id": "jvasp-42451",
"created_at": "2022-09-04T14:37:29.368888Z",
"updated_at": "2022-09-04T14:37:29.368901Z",
"structure_string": "Li4 Co2 O2 F6\n1.0\n4.511267 2.716372 0.147366\n-4.511267 2.716372 -0.147366\n-0.077829 0.000000 5.751316\nLi Co O F\n4 2 2 6\ndirect\n0.285659 0.692586 0.679115 Li\n0.307414 0.714340 0.179114 Li\n0.625664 0.350617 0.865900 Li\n0.649383 0.374336 0.365900 Li\n0.056314 0.088728 0.520863 Co\n0.911272 0.943685 0.020862 Co\n0.937496 0.177420 0.791031 O\n0.822580 0.062503 0.291031 O\n0.492316 0.656573 0.924313 F\n0.343427 0.507684 0.424313 F\n0.415372 0.096898 0.610881 F\n0.909176 0.659176 0.607901 F\n0.340823 0.090824 0.107900 F\n0.903102 0.584627 0.110881 F\n",
"nsites": 14,
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"elements": [
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"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.4339097777169436,
"density_atomic": 0.09927756004954344,
"volume": 141.01877597529034,
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"formula_full": "Li4 Co2 O2 F6",
"formula_reduced": "Li2CoOF3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 9
},
{
"id": "jvasp-4264",
"created_at": "2022-09-04T14:37:28.911678Z",
"updated_at": "2022-09-04T14:37:28.911734Z",
"structure_string": "Al4 Br12\n1.0\n0.000000 7.484806 -0.111218\n6.893358 0.000000 0.000000\n0.000000 -1.325558 -9.978995\nAl Br\n4 12\ndirect\n0.702299 0.096103 0.049604 Al\n0.297702 0.596103 0.450396 Al\n0.297702 0.903897 0.950396 Al\n0.702298 0.403897 0.549604 Al\n0.911650 0.911344 0.169782 Br\n0.088351 0.411344 0.330219 Br\n0.088351 0.088656 0.830219 Br\n0.911650 0.588656 0.669782 Br\n0.751132 0.410599 0.005725 Br\n0.248869 0.910599 0.494276 Br\n0.248868 0.589401 0.994276 Br\n0.751132 0.089401 0.505725 Br\n0.421905 0.071330 0.153474 Br\n0.578096 0.571330 0.346526 Br\n0.578096 0.928670 0.846526 Br\n0.421905 0.428670 0.653474 Br\n",
"nsites": 16,
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"elements": [
"Al",
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],
"chemical_system": "Al-Br",
"density": 3.4337369623570537,
"density_atomic": 0.031014545662899726,
"volume": 515.8869703882056,
"volume_molar": 19.41714969954829,
"formula_full": "Al4 Br12",
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"spacegroup": 14
},
{
"id": "jvasp-74720",
"created_at": "2022-09-04T14:36:04.814728Z",
"updated_at": "2022-09-04T14:36:04.814747Z",
"structure_string": "Mg2 Zr1 Be1\n1.0\n-2.334442 2.334442 3.302369\n2.334442 -2.334442 3.302369\n2.334442 2.334442 -3.302369\nMg Zr Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750000 0.499999 Mg\n0.500000 0.500000 0.000000 Zr\n0.750000 0.250000 0.499999 Be\n",
"nsites": 4,
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],
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"volume": 71.98661735192594,
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"formula_full": "Mg2 Zr1 Be1",
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"spacegroup": 216
},
{
"id": "jvasp-67879",
"created_at": "2022-09-04T14:36:18.136459Z",
"updated_at": "2022-09-04T14:36:18.136488Z",
"structure_string": "Na2 Be1 In1\n1.0\n-2.439644 2.439644 3.449671\n2.439644 -2.439644 3.449671\n2.439644 2.439644 -3.449671\nNa Be In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.749999 0.499999 Na\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 In\n",
"nsites": 4,
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},
{
"id": "jvasp-11450",
"created_at": "2022-09-04T14:37:27.658541Z",
"updated_at": "2022-09-04T14:37:27.658568Z",
"structure_string": "K4 Ni6 S8\n1.0\n5.627097 -0.000000 1.235807\n2.813549 5.033664 0.617903\n0.076545 0.000000 13.080523\nK Ni S\n4 6 8\ndirect\n0.546172 0.749999 0.907658 K\n0.296171 0.250000 0.407658 K\n0.453830 0.250000 0.092342 K\n0.703831 0.749999 0.592341 K\n0.875730 0.749999 0.248542 Ni\n0.374272 0.749999 0.251458 Ni\n0.124272 0.250000 0.751458 Ni\n0.625730 0.250000 0.748542 Ni\n0.875001 0.250000 0.250000 Ni\n0.125001 0.749999 0.750000 Ni\n0.655837 0.582674 0.364255 S\n0.102767 0.917324 0.135745 S\n0.979911 0.917324 0.364255 S\n0.761491 0.582674 0.135745 S\n0.897235 0.082675 0.864255 S\n0.344165 0.417325 0.635745 S\n0.020091 0.082675 0.635745 S\n0.238511 0.417325 0.864255 S\n",
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"formula_full": "K4 Ni6 S8",
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{
"id": "jvasp-90086",
"created_at": "2022-09-04T14:35:49.632787Z",
"updated_at": "2022-09-04T14:35:49.632825Z",
"structure_string": "K6 Tc3\n1.0\n0.000000 0.000000 -2.750201\n-5.179558 -8.971257 0.000000\n-5.182146 8.972753 0.000000\nK Tc\n6 3\ndirect\n0.000000 0.654419 0.000000 K\n0.000000 0.345646 0.345639 K\n0.000000 0.000007 0.654361 K\n0.500000 0.321018 0.000000 K\n0.500000 0.678911 0.678946 K\n0.500000 0.999965 0.321054 K\n0.000000 0.999950 0.000000 Tc\n0.500000 0.333322 0.666657 Tc\n0.500000 0.666663 0.333343 Tc\n",
"nsites": 9,
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"volume": 255.67314595880435,
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"spacegroup": 189
},
{
"id": "jvasp-25743",
"created_at": "2022-09-04T14:37:49.910212Z",
"updated_at": "2022-09-04T14:37:49.910231Z",
"structure_string": "K1 V1 F3\n1.0\n4.143141 0.000000 0.000000\n-0.000000 4.143141 -0.000000\n0.000000 0.000000 4.143141\nK V F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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"density_atomic": 0.0703041341217413,
"volume": 71.11957301603076,
"volume_molar": 8.565841589872699,
"formula_full": "K1 V1 F3",
"formula_reduced": "KVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2181926165000002,
"spacegroup": 221
}
]
}