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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1525",
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"results": [
{
"id": "jvasp-13272",
"created_at": "2022-09-04T14:38:17.379008Z",
"updated_at": "2022-09-04T14:38:17.379028Z",
"structure_string": "Li7 Os1 O6\n1.0\n5.304765 -0.004606 0.002790\n-2.643068 4.703320 -0.005795\n-2.529389 -1.527985 4.987132\nLi Os O\n7 1 6\ndirect\n0.383792 0.857081 0.622111 Li\n0.742694 0.359008 0.045289 Li\n0.851345 0.761115 0.345788 Li\n0.149992 0.256699 0.626670 Li\n0.292329 0.633977 0.996964 Li\n0.594742 0.103994 0.359540 Li\n0.700163 0.506967 0.617288 Li\n0.003643 0.010027 0.001405 Os\n0.152284 0.780033 0.229752 O\n0.545008 0.632195 0.794962 O\n0.116286 0.901181 0.739742 O\n0.855084 0.090276 0.238663 O\n0.470972 0.373434 0.223858 O\n0.839651 0.235004 0.758972 O\n",
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{
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"created_at": "2022-09-04T14:35:44.313533Z",
"updated_at": "2022-09-04T14:35:44.313568Z",
"structure_string": "Li5 Ti2 Co3 O10\n1.0\n5.066612 -0.041456 -0.008574\n0.791566 4.971296 -0.022060\n2.441285 2.015106 6.868774\nLi Ti Co O\n5 2 3 10\ndirect\n0.226877 0.501377 0.591883 Li\n0.423982 0.488657 0.201527 Li\n0.501318 0.005006 0.495578 Li\n0.782663 0.510977 0.403468 Li\n0.581468 0.509051 0.796036 Li\n0.112735 0.996432 0.296065 Ti\n0.882002 0.013451 0.700272 Ti\n0.309527 0.998789 0.887981 Co\n0.696006 0.002710 0.100802 Co\n0.000574 0.499997 0.999426 Co\n0.861371 0.778848 0.542291 O\n0.024035 0.760484 0.145866 O\n0.140262 0.226893 0.455421 O\n0.355712 0.241429 0.056763 O\n0.222330 0.744240 0.761746 O\n0.441008 0.769696 0.333543 O\n0.570250 0.247477 0.647845 O\n0.773290 0.243917 0.231832 O\n0.659536 0.760979 0.951517 O\n0.943253 0.240778 0.865262 O\n",
"nsites": 20,
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"elements": [
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"volume": 173.5513647194323,
"volume_molar": 5.225753737152598,
"formula_full": "Li5 Ti2 Co3 O10",
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"formula_anonymous": "A2B3C5D10",
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{
"id": "jvasp-69264",
"created_at": "2022-09-04T14:36:20.173143Z",
"updated_at": "2022-09-04T14:36:20.173161Z",
"structure_string": "Ba2 Sr1 P1\n1.0\n-0.000000 4.179986 4.179986\n4.179986 -0.000000 4.179986\n4.179986 4.179986 0.000000\nBa Sr P\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-P-Sr",
"density": 4.470549211330744,
"density_atomic": 0.02738454403149991,
"volume": 146.06779632331572,
"volume_molar": 21.991020749050442,
"formula_full": "Ba2 Sr1 P1",
"formula_reduced": "Ba2SrP",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-17184",
"created_at": "2022-09-04T14:37:41.971177Z",
"updated_at": "2022-09-04T14:37:41.971187Z",
"structure_string": "Ti2 Se2\n1.0\n4.165753 0.000000 0.000000\n-0.000000 4.165753 0.000000\n-0.000000 0.000000 5.429124\nTi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.265607 Se\n0.500000 0.000000 0.734392 Se\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Se-Ti",
"density": 4.4706844784091,
"density_atomic": 0.04245640318202091,
"volume": 94.2142927852609,
"volume_molar": 14.184293318917339,
"formula_full": "Ti2 Se2",
"formula_reduced": "TiSe",
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},
{
"id": "jvasp-329",
"created_at": "2022-09-04T14:36:17.011807Z",
"updated_at": "2022-09-04T14:36:17.011838Z",
"structure_string": "Ti2 Se2\n1.0\n4.165753 0.000000 0.000000\n0.000000 4.165753 0.000000\n0.000000 0.000000 5.429124\nTi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.265607 Se\n0.500000 0.000000 0.734392 Se\n",
"nsites": 4,
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"elements": [
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"density": 4.4706844784091,
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"volume": 94.2142927852609,
"volume_molar": 14.184293318917339,
"formula_full": "Ti2 Se2",
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"spacegroup": 129
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{
"id": "jvasp-1483",
"created_at": "2022-09-04T14:36:42.023301Z",
"updated_at": "2022-09-04T14:36:42.023318Z",
"structure_string": "K1 Er1 S2\n1.0\n3.858869 0.004229 6.590354\n1.790729 3.418213 6.590354\n0.006980 0.004229 7.636988\nK Er S\n1 1 2\ndirect\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Er\n0.734227 0.734227 0.734226 S\n0.265773 0.265773 0.265773 S\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.47086141114671,
"density_atomic": 0.03981577951450162,
"volume": 100.4626821017815,
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"formula_full": "K1 Er1 S2",
"formula_reduced": "KErS2",
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},
{
"id": "jvasp-79309",
"created_at": "2022-09-04T14:37:13.886336Z",
"updated_at": "2022-09-04T14:37:13.886361Z",
"structure_string": "Cu2 S2\n1.0\n-0.000057 2.608577 2.608908\n2.608577 -0.000057 2.608908\n2.608986 2.608986 -5.218277\nCu S\n2 2\ndirect\n0.375009 0.375009 0.125003 Cu\n0.875017 0.875017 0.625006 Cu\n0.999980 0.999980 -0.000005 S\n0.499996 0.499996 0.499997 S\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.056321724062547276,
"volume": 71.02055319822699,
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"formula_full": "Cu2 S2",
"formula_reduced": "CuS",
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"energy_above_hull": 0.367055225,
"spacegroup": 216
},
{
"id": "jvasp-20096",
"created_at": "2022-09-04T14:35:42.163913Z",
"updated_at": "2022-09-04T14:35:42.163932Z",
"structure_string": "Ti1 B2\n1.0\n1.515693 -2.625257 -0.000000\n1.515693 2.625257 0.000000\n0.000000 0.000000 3.243004\nTi B\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.499999 B\n0.666666 0.333332 0.499999 B\n",
"nsites": 3,
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"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 4.470999376469537,
"density_atomic": 0.11624136593824842,
"volume": 25.80836843911235,
"volume_molar": 5.180720917542535,
"formula_full": "Ti1 B2",
"formula_reduced": "TiB2",
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"spacegroup": 191
},
{
"id": "jvasp-102703",
"created_at": "2022-09-04T14:37:15.666255Z",
"updated_at": "2022-09-04T14:37:15.666275Z",
"structure_string": "Na1 W1 Cl2 O2\n1.0\n8.089298 -0.006659 0.000000\n-7.180584 3.725050 0.000000\n-0.000000 -0.000000 3.823642\nNa W Cl O\n1 1 2 2\ndirect\n0.716710 0.283290 0.500000 Na\n0.997427 0.002573 -0.000000 W\n0.157736 0.842265 -0.000000 Cl\n0.843454 0.156546 -0.000000 Cl\n0.499575 0.500425 -0.000000 O\n-0.000901 0.000901 0.500000 O\n",
"nsites": 6,
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"elements": [
"Na",
"W",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O-W",
"density": 4.471037413115088,
"density_atomic": 0.05215798168780388,
"volume": 115.03512608891808,
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"formula_full": "Na1 W1 Cl2 O2",
"formula_reduced": "NaW(ClO)2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 38
},
{
"id": "jvasp-60702",
"created_at": "2022-09-04T14:35:41.197802Z",
"updated_at": "2022-09-04T14:35:41.197837Z",
"structure_string": "Pd4 Se32 Cl8\n1.0\n9.067076 -0.000000 0.000000\n-0.000000 9.601395 0.000000\n0.000000 0.000000 13.805400\nPd Se Cl\n4 32 8\ndirect\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.089030 0.383571 0.373535 Se\n0.410971 0.883572 0.626465 Se\n0.589030 0.616429 0.126465 Se\n0.703967 0.483089 0.383363 Se\n0.588017 0.311659 0.271587 Se\n0.410971 0.383571 0.873535 Se\n0.089030 0.883572 0.126465 Se\n0.911983 0.311659 0.771587 Se\n0.377090 0.156381 0.472471 Se\n0.122910 0.656381 0.527529 Se\n0.796033 0.483089 0.883363 Se\n0.622911 0.843619 0.527529 Se\n0.588017 0.811659 0.228413 Se\n0.088017 0.688342 0.228413 Se\n0.796033 0.983089 0.616637 Se\n0.411983 0.688342 0.728413 Se\n0.411983 0.188342 0.771587 Se\n0.296033 0.016911 0.883363 Se\n0.122910 0.156381 0.972471 Se\n0.910971 0.616429 0.626465 Se\n0.203967 0.516912 0.116637 Se\n0.877090 0.343619 0.472471 Se\n0.877090 0.843619 0.027529 Se\n0.377090 0.656381 0.027529 Se\n0.589030 0.116429 0.373535 Se\n0.088017 0.188342 0.271587 Se\n0.203967 0.016911 0.383363 Se\n0.910971 0.116429 0.873535 Se\n0.296033 0.516912 0.616637 Se\n0.911983 0.811659 0.728413 Se\n0.622911 0.343619 0.972471 Se\n0.703967 0.983089 0.116637 Se\n0.397034 0.658911 0.391120 Cl\n0.897034 0.341089 0.108880 Cl\n0.897034 0.841090 0.391120 Cl\n0.102966 0.158911 0.608880 Cl\n0.397034 0.158911 0.108880 Cl\n0.602967 0.341089 0.608880 Cl\n0.102966 0.658911 0.891120 Cl\n0.602967 0.841090 0.891120 Cl\n",
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],
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"density": 4.471057385512949,
"density_atomic": 0.036610198965139354,
"volume": 1201.8508842821996,
"volume_molar": 16.449352721995176,
"formula_full": "Pd4 Se32 Cl8",
"formula_reduced": "Pd(Se4Cl)2",
"formula_anonymous": "AB2C8",
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"spacegroup": 61
},
{
"id": "jvasp-68351",
"created_at": "2022-09-04T14:36:08.407582Z",
"updated_at": "2022-09-04T14:36:08.407611Z",
"structure_string": "Be2 Cr1 Br1\n1.0\n3.124789 0.000000 -0.000000\n0.000000 3.124789 0.000000\n0.000000 0.000000 5.702417\nBe Cr Br\n2 1 1\ndirect\n0.000000 0.000000 0.674605 Be\n0.000000 0.000000 0.325395 Be\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
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"density": 4.471170542281974,
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"volume": 55.680146207083546,
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"formula_full": "Be2 Cr1 Br1",
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},
{
"id": "jvasp-99008",
"created_at": "2022-09-04T14:36:13.750930Z",
"updated_at": "2022-09-04T14:36:13.750953Z",
"structure_string": "Rb1 Eu1 S2\n1.0\n3.982000 0.003119 6.931343\n1.851672 3.525287 6.931343\n0.005157 0.003119 7.993737\nRb Eu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.499999 Eu\n0.767751 0.767753 0.767750 S\n0.232249 0.232249 0.232248 S\n",
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],
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"formula_full": "Rb1 Eu1 S2",
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}
]
}