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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1264",
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"results": [
{
"id": "jvasp-112821",
"created_at": "2022-09-04T14:38:44.035837Z",
"updated_at": "2022-09-04T14:38:44.035861Z",
"structure_string": "Li5 Mn3 Ni2 O10\n1.0\n4.856383 0.006340 -1.130632\n-1.184420 4.658656 -1.494151\n-0.036924 0.018024 7.735273\nLi Mn Ni O\n5 3 2 10\ndirect\n0.199941 0.924963 0.423195 Li\n0.388773 0.285468 0.774724 Li\n0.499999 0.500002 0.499999 Li\n0.611230 0.714532 0.225278 Li\n0.800055 0.075043 0.576805 Li\n0.000002 0.499998 -0.000001 Mn\n0.689100 0.897839 0.891478 Mn\n0.310900 0.102162 0.108524 Mn\n0.900637 0.309024 0.313939 Ni\n0.099362 0.690977 0.686060 Ni\n0.638993 0.267021 0.040985 O\n0.042351 0.115184 0.871628 O\n0.361010 0.732974 0.959015 O\n0.143969 0.307613 0.550868 O\n0.232445 0.461281 0.222641 O\n0.465955 0.900566 0.669904 O\n0.534049 0.099436 0.330096 O\n0.767554 0.538714 0.777358 O\n0.856027 0.692392 0.449129 O\n0.957651 0.884811 0.128373 O\n",
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"formula_full": "Li5 Mn3 Ni2 O10",
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{
"id": "jvasp-119647",
"created_at": "2022-09-04T14:38:52.296507Z",
"updated_at": "2022-09-04T14:38:52.296533Z",
"structure_string": "Sr2 Pr2 Fe2 Ru2 O12\n1.0\n5.608173 0.000000 0.000000\n-0.000000 4.537703 3.205044\n0.000000 0.016191 9.610183\nSr Pr Fe Ru O\n2 2 2 2 12\ndirect\n0.719010 0.755246 0.749108 Sr\n0.280990 0.755246 0.249108 Sr\n0.199011 0.240046 0.748980 Pr\n0.800989 0.240046 0.248980 Pr\n0.258622 0.499995 0.999083 Fe\n0.741377 0.499995 0.499083 Fe\n0.255329 0.999530 0.499992 Ru\n0.744670 0.999530 -0.000008 Ru\n0.967524 0.755003 0.965250 O\n0.457485 0.250987 0.542518 O\n0.974496 0.182445 0.536760 O\n0.455275 0.839430 0.958294 O\n0.542514 0.250988 0.042518 O\n0.765306 0.311930 0.749728 O\n0.740122 0.665382 0.250284 O\n0.234694 0.311930 0.249728 O\n0.025503 0.182445 0.036760 O\n0.259877 0.665382 0.750283 O\n0.032475 0.755003 0.465251 O\n0.544725 0.839430 0.458295 O\n",
"nsites": 20,
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"elements": [
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"density": 6.545583829362229,
"density_atomic": 0.08187625659036452,
"volume": 244.27106016903159,
"volume_molar": 7.355173539661689,
"formula_full": "Sr2 Pr2 Fe2 Ru2 O12",
"formula_reduced": "SrPrFeRuO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 7
},
{
"id": "jvasp-69728",
"created_at": "2022-09-04T14:36:02.368641Z",
"updated_at": "2022-09-04T14:36:02.368664Z",
"structure_string": "Be2 Mo1 Br1\n1.0\n-1.770020 1.770020 4.330697\n1.770020 -1.770020 4.330697\n1.770020 1.770020 -4.330697\nBe Mo Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Mo\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.931737247241352,
"density_atomic": 0.07370311675311196,
"volume": 54.27178898551951,
"volume_molar": 8.170808814195402,
"formula_full": "Be2 Mo1 Br1",
"formula_reduced": "Be2MoBr",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-2121",
"created_at": "2022-09-04T14:37:00.603567Z",
"updated_at": "2022-09-04T14:37:00.603600Z",
"structure_string": "As4 Ru2\n1.0\n3.028856 0.000000 0.000000\n0.000000 5.493915 0.000000\n0.000000 0.000000 6.259327\nAs Ru\n4 2\ndirect\n0.500001 0.328640 0.865557 As\n0.500001 0.671361 0.134444 As\n0.000000 0.171361 0.365556 As\n0.000000 0.828640 0.634444 As\n0.500001 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
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"elements": [
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],
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"density": 8.000449709361284,
"density_atomic": 0.05760538023873356,
"volume": 104.15693768766465,
"volume_molar": 10.454128998094426,
"formula_full": "As4 Ru2",
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"formula_anonymous": "AB2",
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"spacegroup": 58
},
{
"id": "jvasp-20529",
"created_at": "2022-09-04T14:38:28.892028Z",
"updated_at": "2022-09-04T14:38:28.892061Z",
"structure_string": "Nb2 Rh2\n1.0\n3.888469 0.000000 0.000000\n-0.000000 4.056187 0.000000\n0.000000 0.000000 4.056187\nNb Rh\n2 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
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"spacegroup": 123
},
{
"id": "jvasp-20257",
"created_at": "2022-09-04T14:37:53.108651Z",
"updated_at": "2022-09-04T14:37:53.108673Z",
"structure_string": "Nb2 Rh2\n1.0\n3.888467 -0.000000 0.000000\n0.000000 4.056187 0.000000\n0.000000 0.000000 4.056187\nNb Rh\n2 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
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"spacegroup": 123
},
{
"id": "jvasp-50086",
"created_at": "2022-09-04T14:37:06.883761Z",
"updated_at": "2022-09-04T14:37:06.883795Z",
"structure_string": "Li4 Ti3 O8\n1.0\n-0.018393 4.231976 4.231976\n4.059915 0.006891 4.205796\n4.059915 4.205796 0.006891\nLi Ti O\n4 3 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.125000 0.125000 0.625001 Li\n0.125000 0.625001 0.125000 Li\n0.625000 0.625001 0.625001 Li\n0.625000 0.125000 0.625001 Ti\n0.625000 0.625001 0.125000 Ti\n0.125000 0.625001 0.625001 Ti\n0.386920 0.380214 0.380214 O\n0.843822 0.375745 0.375745 O\n0.365878 0.844672 0.382323 O\n0.884122 0.867679 0.405330 O\n0.884122 0.405330 0.867679 O\n0.365878 0.382323 0.844672 O\n0.406178 0.874257 0.874257 O\n0.863080 0.869788 0.869788 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Li-O-Ti",
"density": 3.437469081535862,
"density_atomic": 0.1037258259831,
"volume": 144.61200822294674,
"volume_molar": 5.805825794032418,
"formula_full": "Li4 Ti3 O8",
"formula_reduced": "Li4Ti3O8",
"formula_anonymous": "A3B4C8",
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"spacegroup": 12
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{
"id": "jvasp-58363",
"created_at": "2022-09-04T14:37:18.711071Z",
"updated_at": "2022-09-04T14:37:18.711101Z",
"structure_string": "Li2 Y4 Si4\n1.0\n7.156745 -0.000000 -0.000000\n-0.000000 7.156745 0.000000\n-0.000000 0.000000 4.199030\nLi Y Si\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.821183 0.678816 0.500000 Y\n0.178816 0.321183 0.500000 Y\n0.678816 0.178816 0.500000 Y\n0.321183 0.821183 0.500000 Y\n0.618950 0.881049 0.000000 Si\n0.381049 0.118951 0.000000 Si\n0.881049 0.381049 0.000000 Si\n0.118951 0.618950 0.000000 Si\n",
"nsites": 10,
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"elements": [
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"Y",
"Si"
],
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"density": 3.7203050641314968,
"density_atomic": 0.04649646500963398,
"volume": 215.0701133500798,
"volume_molar": 12.951824958633358,
"formula_full": "Li2 Y4 Si4",
"formula_reduced": "Li(YSi)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-104828",
"created_at": "2022-09-04T14:36:56.016596Z",
"updated_at": "2022-09-04T14:36:56.016606Z",
"structure_string": "V2 Zn1 O6\n1.0\n4.687071 0.016635 1.718135\n3.357835 3.270146 1.718135\n0.043186 0.017644 6.614289\nV Zn O\n2 1 6\ndirect\n0.165713 0.211781 0.347463 V\n0.788219 0.834286 0.652536 V\n0.976517 0.023483 -0.000001 Zn\n0.286355 0.332435 0.563160 O\n0.319286 0.365537 0.109447 O\n0.667564 0.713644 0.436839 O\n0.634463 0.680713 0.890552 O\n0.947823 0.993934 0.719016 O\n0.006065 0.052177 0.280983 O\n",
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"volume": 100.72873390159491,
"volume_molar": 6.740029045910983,
"formula_full": "V2 Zn1 O6",
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"formula_anonymous": "AB2C6",
"energy_above_hull": 2.5864066444444447,
"spacegroup": 12
},
{
"id": "jvasp-12247",
"created_at": "2022-09-04T14:38:06.619507Z",
"updated_at": "2022-09-04T14:38:06.619529Z",
"structure_string": "Zn2 Cr4 O8\n1.0\n5.139208 0.000000 2.967123\n1.713069 4.845292 2.967123\n0.000000 0.000000 5.934246\nZn Cr O\n2 4 8\ndirect\n0.875001 0.875000 0.875000 Zn\n0.125000 0.125000 0.125000 Zn\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.500000 0.500000 0.500000 Cr\n0.737946 0.737945 0.737945 O\n0.262055 0.262055 0.713837 O\n0.262055 0.713836 0.262054 O\n0.713837 0.262055 0.262054 O\n0.737946 0.286163 0.737945 O\n0.286164 0.737945 0.737945 O\n0.262055 0.262055 0.262055 O\n0.737946 0.737945 0.286163 O\n",
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"volume": 147.76844250443796,
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"formula_full": "Zn2 Cr4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-101253",
"created_at": "2022-09-04T14:36:44.787048Z",
"updated_at": "2022-09-04T14:36:44.787065Z",
"structure_string": "V2 Zn1 O6\n1.0\n4.725078 -0.023485 1.609594\n3.433727 3.245987 1.609594\n0.206865 0.081706 6.606222\nV Zn O\n2 1 6\ndirect\n0.811534 0.811537 0.652170 V\n0.188466 0.188467 0.347827 V\n0.000000 0.000000 0.000000 Zn\n0.971178 0.971182 0.718639 O\n0.028821 0.028822 0.281359 O\n0.657638 0.657641 0.890669 O\n0.342362 0.342363 0.109328 O\n0.690543 0.690546 0.436917 O\n0.309456 0.309458 0.563081 O\n",
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"formula_full": "V2 Zn1 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 12
},
{
"id": "jvasp-71052",
"created_at": "2022-09-04T14:35:51.457491Z",
"updated_at": "2022-09-04T14:35:51.457520Z",
"structure_string": "Be1 Ga1 Ir2\n1.0\n2.969176 -0.000000 -0.000000\n-0.000000 2.969176 0.000000\n-0.000000 0.000000 5.940151\nBe Ga Ir\n1 1 2\ndirect\n0.000000 0.000000 0.476481 Be\n0.500001 0.500001 0.736164 Ga\n0.000000 0.000000 0.975558 Ir\n0.500001 0.500001 0.311796 Ir\n",
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}
]
}