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{
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"results": [
{
"id": "jvasp-18575",
"created_at": "2022-09-04T14:37:02.558266Z",
"updated_at": "2022-09-04T14:37:02.558277Z",
"structure_string": "Rb2 W1 Cl6\n1.0\n6.234868 0.000000 3.599703\n2.078289 5.878290 3.599703\n-0.000000 -0.000000 7.199405\nRb W Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 W\n0.765164 0.234835 0.234834 Cl\n0.765164 0.234835 0.765164 Cl\n0.234835 0.765164 0.234835 Cl\n0.234835 0.765164 0.765164 Cl\n0.234835 0.234835 0.765164 Cl\n0.765165 0.765164 0.234834 Cl\n",
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{
"id": "jvasp-10903",
"created_at": "2022-09-04T14:37:12.045299Z",
"updated_at": "2022-09-04T14:37:12.045320Z",
"structure_string": "Ca1 Mn4 S8\n1.0\n6.915091 0.071254 0.050383\n3.519253 6.095524 0.000000\n3.519253 2.031841 5.746916\nCa Mn S\n1 4 8\ndirect\n0.500000 -0.000000 -0.000000 Ca\n-0.000000 0.499999 0.500000 Mn\n0.500000 0.499999 -0.000000 Mn\n0.500000 0.499999 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.251228 0.267195 0.267195 S\n0.251228 0.267195 0.714383 S\n0.251228 0.714382 0.267195 S\n0.723731 0.258755 0.258756 S\n0.276269 0.741243 0.741244 S\n0.748772 0.732804 0.285617 S\n0.748772 0.285617 0.732805 S\n0.748772 0.732804 0.732805 S\n",
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"volume": 240.0772138043356,
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"formula_full": "Ca1 Mn4 S8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 166
},
{
"id": "jvasp-92274",
"created_at": "2022-09-04T14:35:53.069644Z",
"updated_at": "2022-09-04T14:35:53.069669Z",
"structure_string": "Ce2 Mg6\n1.0\n5.193066 0.000000 0.000000\n0.000000 5.193066 0.000000\n0.000000 -0.000000 7.345567\nCe Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"Mg"
],
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"density": 3.571485493050799,
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"volume": 198.0947695770652,
"volume_molar": 14.911932327660653,
"formula_full": "Ce2 Mg6",
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"spacegroup": 225
},
{
"id": "jvasp-81605",
"created_at": "2022-09-04T14:37:05.398125Z",
"updated_at": "2022-09-04T14:37:05.398145Z",
"structure_string": "Na1 Sr2 Cd1\n1.0\n-13.795049 3.166392 -2.793875\n-10.128987 0.614531 1.044536\n-8.428988 5.422865 -1.899957\nNa Sr Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.749994 0.000004 0.000004 Sr\n0.250008 0.999995 0.999995 Sr\n0.500001 -0.000001 -0.000001 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.5716581266422045,
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"volume": 144.42343437641983,
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"formula_full": "Na1 Sr2 Cd1",
"formula_reduced": "NaSr2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-116849",
"created_at": "2022-09-04T14:38:44.046611Z",
"updated_at": "2022-09-04T14:38:44.046638Z",
"structure_string": "Li2 V4 F14\n1.0\n8.888676 0.013806 0.295887\n7.586146 4.632402 0.295887\n-0.087722 -0.024739 5.471252\nLi V F\n2 4 14\ndirect\n0.500000 0.000000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.149975 0.639883 0.800127 V\n0.639883 0.149975 0.300127 V\n0.360118 0.850025 0.699873 V\n0.850026 0.360118 0.199873 V\n0.644670 0.501067 0.896638 F\n0.501068 0.644669 0.396638 F\n0.209510 0.069826 0.006431 F\n0.069826 0.209510 0.506431 F\n0.617617 0.795975 0.688813 F\n0.795975 0.617616 0.188813 F\n0.930175 0.790490 0.493569 F\n0.382384 0.204026 0.311187 F\n0.107104 0.892897 0.750000 F\n0.790491 0.930175 0.993569 F\n0.498933 0.355331 0.603363 F\n0.355331 0.498933 0.103363 F\n0.204026 0.382384 0.811187 F\n0.892897 0.107104 0.250000 F\n",
"nsites": 20,
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"elements": [
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"F"
],
"chemical_system": "F-Li-V",
"density": 3.57177761842231,
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"volume": 224.84022315889402,
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"formula_full": "Li2 V4 F14",
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{
"id": "jvasp-70181",
"created_at": "2022-09-04T14:35:40.785734Z",
"updated_at": "2022-09-04T14:35:40.785752Z",
"structure_string": "Ca1 Be2 Ga1\n1.0\n-2.189983 2.189983 3.097564\n2.189983 -2.189983 3.097564\n2.189983 2.189983 -3.097564\nCa Be Ga\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Ca\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.000000 Be\n0.749999 0.250000 0.499999 Ga\n",
"nsites": 4,
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],
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"density": 3.5719417569602556,
"density_atomic": 0.06731288808806371,
"volume": 59.423984226719014,
"volume_molar": 8.946489938333041,
"formula_full": "Ca1 Be2 Ga1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-21295",
"created_at": "2022-09-04T14:37:06.300231Z",
"updated_at": "2022-09-04T14:37:06.300259Z",
"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n4.822602 -0.148801 0.834201\n0.949118 6.494256 0.618247\n-0.281122 0.077714 6.585845\nMg Ti Si O\n2 2 4 12\ndirect\n0.750000 0.275612 0.724388 Mg\n0.250001 0.724388 0.275614 Mg\n0.249999 0.069927 0.930074 Ti\n0.749999 0.930075 0.069927 Ti\n0.287894 0.209979 0.402044 Si\n0.212105 0.597956 0.790022 Si\n0.787894 0.402044 0.209979 Si\n0.712106 0.790021 0.597957 Si\n0.648066 0.966588 0.760664 O\n0.851934 0.239336 0.033412 O\n0.631347 0.623672 0.146847 O\n0.868652 0.853155 0.376329 O\n0.368653 0.376327 0.853154 O\n-0.092718 0.582829 0.700665 O\n0.092718 0.417171 0.299336 O\n0.407283 0.700664 0.582831 O\n0.351933 0.033412 0.239337 O\n0.592718 0.299337 0.417170 O\n0.131348 0.146845 0.623672 O\n0.148067 0.760664 0.966589 O\n",
"nsites": 20,
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"elements": [
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"Ti",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Ti",
"density": 3.572136966734214,
"density_atomic": 0.09589002928200278,
"volume": 208.57225876094003,
"volume_molar": 6.28025750444762,
"formula_full": "Mg2 Ti2 Si4 O12",
"formula_reduced": "MgTi(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
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{
"id": "jvasp-118680",
"created_at": "2022-09-04T14:38:46.295405Z",
"updated_at": "2022-09-04T14:38:46.295420Z",
"structure_string": "Mg2 Cd1\n1.0\n5.081907 0.000000 1.347486\n0.000000 3.210023 0.000000\n1.542786 0.000000 4.997398\nMg Cd\n2 1\ndirect\n0.133063 0.000000 -0.201190 Mg\n-0.199706 0.000000 0.467859 Mg\n0.466643 0.000000 0.133331 Cd\n",
"nsites": 3,
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"elements": [
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"density": 3.572257883532895,
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"volume": 74.84948448866275,
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"formula_full": "Mg2 Cd1",
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"spacegroup": 65
},
{
"id": "jvasp-91391",
"created_at": "2022-09-04T14:36:13.136218Z",
"updated_at": "2022-09-04T14:36:13.136235Z",
"structure_string": "Li2 Fe2 Si4 O12\n1.0\n5.106368 0.002878 1.361254\n1.534667 6.146494 0.727836\n0.032237 0.024351 6.376732\nLi Fe Si O\n2 2 4 12\ndirect\n0.750001 0.261343 0.738656 Li\n0.250001 0.738656 0.261344 Li\n0.750001 0.915339 0.084660 Fe\n0.250001 0.084660 0.915339 Fe\n0.758035 0.795881 0.607577 Si\n0.241967 0.204119 0.392422 Si\n0.258035 0.607577 0.795881 Si\n0.741967 0.392422 0.204119 Si\n0.051992 0.645435 0.636223 O\n0.551993 0.636223 0.645435 O\n0.143411 0.801140 0.975129 O\n0.177547 0.099264 0.637704 O\n0.856591 0.198859 0.024870 O\n0.948009 0.354564 0.363776 O\n0.356591 0.024871 0.198859 O\n0.822455 0.900735 0.362295 O\n0.677547 0.637704 0.099264 O\n0.322455 0.362295 0.900735 O\n0.448009 0.363776 0.354564 O\n0.643411 0.975129 0.801141 O\n",
"nsites": 20,
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"elements": [
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"O"
],
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"density": 3.572880955351662,
"density_atomic": 0.10009793768922282,
"volume": 199.80431626967803,
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"formula_full": "Li2 Fe2 Si4 O12",
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"spacegroup": 15
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{
"id": "jvasp-9546",
"created_at": "2022-09-04T14:37:28.639999Z",
"updated_at": "2022-09-04T14:37:28.640033Z",
"structure_string": "Mg2 V2 F8\n1.0\n5.061682 -0.015570 -0.001811\n-0.110661 5.471297 0.010203\n-1.794664 -1.946089 5.073571\nMg V F\n2 2 8\ndirect\n0.742302 0.675957 0.483088 Mg\n0.250396 0.323000 0.511920 Mg\n0.496348 0.999484 0.997503 V\n0.996350 0.499488 0.997505 V\n0.150021 0.668072 0.745769 F\n0.288887 0.019015 0.251181 F\n0.842678 0.330894 0.249242 F\n0.338164 0.547629 0.315509 F\n0.703818 0.979944 0.743829 F\n0.217819 0.215338 0.801068 F\n0.654531 0.451335 0.679497 F\n0.774880 0.783634 0.193946 F\n",
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"spacegroup": 2
},
{
"id": "jvasp-61574",
"created_at": "2022-09-04T14:35:41.837146Z",
"updated_at": "2022-09-04T14:35:41.837166Z",
"structure_string": "B1 As1 O4\n1.0\n-2.250484 2.250484 3.434910\n2.250484 -2.250484 3.434910\n2.250484 2.250484 -3.434910\nB As O\n1 1 4\ndirect\n0.749999 0.250000 0.499999 B\n0.000000 0.000000 0.000000 As\n0.854873 0.969383 0.557698 O\n0.411684 0.297174 0.442300 O\n0.030616 0.588314 0.885488 O\n0.702825 0.145127 0.114510 O\n",
"nsites": 6,
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"volume": 69.58685565451312,
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"formula_full": "B1 As1 O4",
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"spacegroup": 82
},
{
"id": "jvasp-20860",
"created_at": "2022-09-04T14:38:34.378161Z",
"updated_at": "2022-09-04T14:38:34.378190Z",
"structure_string": "Li20 Zn8 O18\n1.0\n9.745060 0.000000 0.000000\n0.000000 9.745060 0.000000\n-0.000000 0.000000 4.649497\nLi Zn O\n20 8 18\ndirect\n0.143717 0.687442 0.787371 Li\n0.356283 0.812558 0.712630 Li\n0.643717 0.187442 0.712630 Li\n0.000000 0.500000 0.323769 Li\n0.000000 0.500000 0.823769 Li\n0.500000 0.000000 0.176232 Li\n0.500000 0.000000 0.676232 Li\n0.187442 0.643717 0.287371 Li\n0.143717 0.312558 0.787371 Li\n0.812558 0.356283 0.287371 Li\n0.856283 0.687442 0.787371 Li\n0.687442 0.856283 0.212629 Li\n0.312558 0.856283 0.212629 Li\n0.356283 0.187442 0.712630 Li\n0.643717 0.812558 0.712630 Li\n0.687442 0.143717 0.212629 Li\n0.187442 0.356283 0.287371 Li\n0.812558 0.643717 0.287371 Li\n0.856283 0.312558 0.787371 Li\n0.312558 0.143717 0.212629 Li\n0.662828 0.500000 0.767615 Zn\n0.000000 0.837172 0.267615 Zn\n0.337172 0.500000 0.767615 Zn\n0.000000 0.162828 0.267615 Zn\n0.500000 0.662828 0.232385 Zn\n0.837172 0.000000 0.732386 Zn\n0.162828 0.000000 0.732386 Zn\n0.500000 0.337172 0.232385 Zn\n0.174587 0.825413 0.500000 O\n0.500000 0.843320 0.435710 O\n0.343320 0.000000 0.935711 O\n0.656680 0.000000 0.935711 O\n0.500000 0.156680 0.435710 O\n0.000000 0.343320 0.064290 O\n0.000000 0.656680 0.064290 O\n0.843320 0.500000 0.564290 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.674587 0.325413 0.000000 O\n0.825413 0.825413 0.500000 O\n0.174587 0.174587 0.500000 O\n0.325413 0.674587 0.000000 O\n0.825413 0.174587 0.500000 O\n0.674587 0.674587 0.000000 O\n0.156680 0.500000 0.564290 O\n0.325413 0.325413 0.000000 O\n",
"nsites": 46,
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"elements": [
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],
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"density": 3.573014801394474,
"density_atomic": 0.10417963344963094,
"volume": 441.54503598095505,
"volume_molar": 5.780535562079514,
"formula_full": "Li20 Zn8 O18",
"formula_reduced": "Li10Zn4O9",
"formula_anonymous": "A4B9C10",
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"spacegroup": 137
}
]
}