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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3498",
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"results": [
{
"id": "jvasp-79221",
"created_at": "2022-09-04T14:37:13.115856Z",
"updated_at": "2022-09-04T14:37:13.115875Z",
"structure_string": "Mg2 Zn2\n1.0\n3.120892 0.000000 0.000000\n-1.560445 2.702771 -0.000000\n0.000000 0.000000 8.961912\nMg Zn\n2 2\ndirect\n0.333332 0.666667 0.644990 Mg\n0.666666 0.333333 0.355010 Mg\n0.666666 0.333333 0.890460 Zn\n0.333332 0.666667 0.109540 Zn\n",
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{
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"created_at": "2022-09-04T14:36:19.300918Z",
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"structure_string": "Nd1 Al1 H6\n1.0\n3.225337 1.862150 2.072636\n-3.225337 1.862150 2.072636\n-0.000000 -3.724298 2.072636\nNd Al H\n1 1 6\ndirect\n0.500001 0.500001 0.500001 Nd\n0.000000 0.000000 0.000000 Al\n0.936768 0.295969 0.295970 H\n0.295970 0.295970 0.936768 H\n0.295969 0.936768 0.295970 H\n0.063234 0.704032 0.704032 H\n0.704032 0.704032 0.063234 H\n0.704032 0.063234 0.704032 H\n",
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"volume": 74.6902464039473,
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"formula_full": "Nd1 Al1 H6",
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{
"id": "jvasp-11790",
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"updated_at": "2022-09-04T14:36:39.302793Z",
"structure_string": "Mn2 V2 O7\n1.0\n5.013468 0.097177 -0.652481\n-0.950810 5.075147 -1.511460\n0.046783 -0.131345 5.378311\nMn V O\n2 2 7\ndirect\n-0.000000 0.813608 0.186393 Mn\n-0.000000 0.186394 0.813607 Mn\n0.394212 0.748734 0.748733 V\n0.605788 0.251268 0.251267 V\n0.799036 0.442425 0.104890 O\n0.200965 0.895111 0.557576 O\n0.200964 0.557577 0.895110 O\n0.799036 0.104891 0.442424 O\n0.500000 0.500001 0.500000 O\n0.274790 0.074307 0.074307 O\n0.725211 0.925695 0.925694 O\n",
"nsites": 11,
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"elements": [
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"volume": 136.4144282017414,
"volume_molar": 7.468244439325458,
"formula_full": "Mn2 V2 O7",
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"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.546686125705329,
"spacegroup": 12
},
{
"id": "jvasp-42240",
"created_at": "2022-09-04T14:35:48.046443Z",
"updated_at": "2022-09-04T14:35:48.046458Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n0.000000 5.905026 -0.000000\n2.833599 -2.952513 3.877034\n5.667200 -0.000000 0.000000\nLi Mn Si O\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.382841 0.265680 0.367159 Si\n0.617159 0.734319 0.632841 Si\n0.255951 0.011902 0.254353 O\n0.744050 0.988097 0.266256 O\n0.270224 0.507349 0.246325 O\n0.737126 0.507349 0.246325 O\n0.255951 0.011902 0.733745 O\n0.744050 0.988097 0.745648 O\n0.262874 0.492650 0.753675 O\n0.729776 0.492650 0.753675 O\n",
"nsites": 14,
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"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.940969582737352,
"density_atomic": 0.10790413121632667,
"volume": 129.74480070584823,
"volume_molar": 5.5810103766340395,
"formula_full": "Li2 Mn2 Si2 O8",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.54937140591133,
"spacegroup": 74
},
{
"id": "jvasp-106462",
"created_at": "2022-09-04T14:36:49.164106Z",
"updated_at": "2022-09-04T14:36:49.164133Z",
"structure_string": "Rb2 Sc1 Tl1 Br6\n1.0\n7.035510 -0.000000 4.061953\n2.345170 6.633142 4.061953\n-0.000000 -0.000000 8.123907\nRb Sc Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.770176 0.229824 0.229824 Br\n0.229824 0.229824 0.770176 Br\n0.229824 0.770176 0.770176 Br\n0.229824 0.770176 0.229824 Br\n0.770176 0.229824 0.770176 Br\n0.770176 0.770176 0.229823 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
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],
"chemical_system": "Br-Rb-Sc-Tl",
"density": 3.940636921415233,
"density_atomic": 0.026376682859303967,
"volume": 379.122729470611,
"volume_molar": 22.8313044218742,
"formula_full": "Rb2 Sc1 Tl1 Br6",
"formula_reduced": "Rb2ScTlBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-70626",
"created_at": "2022-09-04T14:36:14.385402Z",
"updated_at": "2022-09-04T14:36:14.385418Z",
"structure_string": "Be2 Zn1 P1\n1.0\n3.189412 -0.000000 0.000000\n-0.000000 3.189412 0.000000\n-0.000000 -0.000000 4.739452\nBe Zn P\n2 1 1\ndirect\n0.000000 0.000000 0.271314 Be\n0.000000 0.000000 0.728686 Be\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 P\n",
"nsites": 4,
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"elements": [
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"P"
],
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"volume": 48.211359366026215,
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"formula_full": "Be2 Zn1 P1",
"formula_reduced": "Be2ZnP",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-46355",
"created_at": "2022-09-04T14:38:06.748002Z",
"updated_at": "2022-09-04T14:38:06.748022Z",
"structure_string": "Nb2 V2 O10\n1.0\n6.769639 0.000000 0.000000\n-0.000000 6.769639 0.000000\n-0.000000 -0.000000 4.116649\nNb V O\n2 2 10\ndirect\n0.500000 -0.000000 0.805456 Nb\n0.000000 0.500000 0.194544 Nb\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.958320 0.793119 0.264006 O\n0.206882 0.958320 0.735994 O\n0.500000 -0.000000 0.244701 O\n0.793119 0.041680 0.735994 O\n0.041680 0.206882 0.264006 O\n0.458320 0.293119 0.735994 O\n0.706882 0.458320 0.264006 O\n0.000000 0.500000 0.755299 O\n0.293119 0.541680 0.264006 O\n0.541680 0.706882 0.735994 O\n",
"nsites": 14,
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"elements": [
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"V",
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],
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"density": 3.9405006121596924,
"density_atomic": 0.07420841857827953,
"volume": 188.65784055527274,
"volume_molar": 8.115171937867778,
"formula_full": "Nb2 V2 O10",
"formula_reduced": "NbVO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.199871585714285,
"spacegroup": 85
},
{
"id": "jvasp-108867",
"created_at": "2022-09-04T14:38:26.913054Z",
"updated_at": "2022-09-04T14:38:26.913078Z",
"structure_string": "Na2 Pd1 O6\n1.0\n5.918761 -0.281183 1.522579\n-3.029508 5.092433 1.522579\n0.293680 0.489042 3.883519\nNa Pd O\n2 1 6\ndirect\n0.669858 0.330142 0.500000 Na\n0.330142 0.669857 0.500001 Na\n-0.000000 -0.000000 0.500000 Pd\n0.782722 0.068008 0.225019 O\n0.068007 0.782722 0.225020 O\n0.400222 0.400222 -0.035622 O\n0.217277 0.931991 0.774982 O\n0.931992 0.217278 0.774981 O\n0.599777 0.599778 0.035622 O\n",
"nsites": 9,
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"elements": [
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"Pd",
"O"
],
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"density": 3.9403493947301578,
"density_atomic": 0.08597727064286485,
"volume": 104.6788288661138,
"volume_molar": 7.0043404669298726,
"formula_full": "Na2 Pd1 O6",
"formula_reduced": "Na2PdO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.840072744444445,
"spacegroup": 12
},
{
"id": "jvasp-9419",
"created_at": "2022-09-04T14:37:11.392209Z",
"updated_at": "2022-09-04T14:37:11.392232Z",
"structure_string": "Na4 Pd2 F8\n1.0\n0.000000 3.430933 -0.028004\n5.629885 0.000000 0.000000\n0.000000 -0.826521 -9.959210\nNa Pd F\n4 2 8\ndirect\n0.719294 0.044248 0.651694 Na\n0.280706 0.544248 0.848306 Na\n0.280706 0.955753 0.348305 Na\n0.719293 0.455752 0.151694 Na\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.783835 0.680467 0.338511 F\n0.216164 0.180466 0.161488 F\n0.216164 0.319534 0.661488 F\n0.783836 0.819534 0.838511 F\n0.213187 0.805836 0.575039 F\n0.786813 0.305836 0.924960 F\n0.213187 0.694165 0.075039 F\n0.786813 0.194165 0.424960 F\n",
"nsites": 14,
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"density": 3.9403194584288554,
"density_atomic": 0.0727272722472149,
"volume": 192.5000012706531,
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"formula_full": "Na4 Pd2 F8",
"formula_reduced": "Na2PdF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-13009",
"created_at": "2022-09-04T14:37:02.256807Z",
"updated_at": "2022-09-04T14:37:02.256833Z",
"structure_string": "Ti2 Se4 O12\n1.0\n0.000000 4.777029 -0.094528\n8.375137 0.000000 0.000000\n0.000000 -2.410280 -6.310055\nTi Se O\n2 4 12\ndirect\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.126514 0.641391 0.828462 Se\n0.873487 0.141391 0.671539 Se\n0.873487 0.358609 0.171539 Se\n0.126514 0.858610 0.328462 Se\n0.239756 0.838607 0.830429 O\n0.760245 0.338607 0.669573 O\n0.760244 0.161393 0.169572 O\n0.239756 0.661393 0.330428 O\n0.394110 0.547179 0.753560 O\n0.829839 0.843263 0.095060 O\n0.170161 0.343263 0.404941 O\n0.605891 0.452822 0.246441 O\n0.829839 0.656737 0.595060 O\n0.170162 0.156737 0.904941 O\n0.605891 0.047179 0.746441 O\n0.394110 0.952822 0.253560 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.9402267652377434,
"density_atomic": 0.07076512556125732,
"volume": 254.36258124658355,
"volume_molar": 8.510040379688125,
"formula_full": "Ti2 Se4 O12",
"formula_reduced": "Ti(SeO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 14
},
{
"id": "jvasp-92507",
"created_at": "2022-09-04T14:35:46.333032Z",
"updated_at": "2022-09-04T14:35:46.333062Z",
"structure_string": "Ca1 Co1 O3\n1.0\n3.393348 0.756612 0.448832\n0.920504 3.352603 0.448832\n0.804447 0.766287 5.968458\nCa Co O\n1 1 3\ndirect\n0.276758 0.276759 0.067339 Ca\n0.808225 0.808222 0.554606 Co\n0.878669 0.878667 0.249798 O\n0.681833 0.681833 0.857958 O\n0.115021 0.115021 0.544602 O\n",
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"volume": 61.95582666360858,
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"formula_full": "Ca1 Co1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 8
},
{
"id": "jvasp-2346",
"created_at": "2022-09-04T14:36:46.938719Z",
"updated_at": "2022-09-04T14:36:46.938744Z",
"structure_string": "Cd1 Ga2 S4\n1.0\n5.045958 -0.000000 -2.378139\n-1.120806 4.919907 -2.378139\n-0.026683 -0.033446 6.485734\nCd Ga S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.865850 0.870777 0.275273 S\n0.595502 0.134149 0.724726 S\n0.129224 0.590576 0.724726 S\n0.409424 0.404499 0.275274 S\n",
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}
]
}