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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1215",
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"results": [
{
"id": "jvasp-12593",
"created_at": "2022-09-04T14:38:16.567304Z",
"updated_at": "2022-09-04T14:38:16.567339Z",
"structure_string": "Tb2 H6 O6\n1.0\n3.145953 -5.448951 -0.000000\n3.145953 5.448951 -0.000000\n0.000000 -0.000000 3.569608\nTb H O\n2 6 6\ndirect\n0.666667 0.333333 0.250000 Tb\n0.333333 0.666667 0.750000 Tb\n0.134639 0.273764 0.250000 H\n0.273764 0.139125 0.750000 H\n0.726235 0.860874 0.250000 H\n0.865361 0.726235 0.750000 H\n0.860874 0.134638 0.750000 H\n0.139125 0.865361 0.250000 H\n0.393226 0.083217 0.750000 O\n0.310008 0.393226 0.250000 O\n0.606773 0.916782 0.250000 O\n0.689991 0.606773 0.750000 O\n0.916782 0.310008 0.750000 O\n0.083217 0.689991 0.250000 O\n",
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"formula_full": "Tb2 H6 O6",
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{
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"created_at": "2022-09-04T14:36:22.265436Z",
"updated_at": "2022-09-04T14:36:22.265455Z",
"structure_string": "Tb2 H2 O4\n1.0\n0.000000 3.667177 0.000000\n0.002861 0.000000 4.332119\n5.691246 0.000000 -1.967233\nTb H O\n2 2 4\ndirect\n0.250000 0.333480 0.190105 Tb\n0.750001 0.666521 0.809895 Tb\n0.250000 0.985458 0.577944 H\n0.750001 0.014543 0.422057 H\n0.250000 0.765664 0.049908 O\n0.750001 0.234337 0.950093 O\n0.250000 0.753750 0.561572 O\n0.750001 0.246251 0.438429 O\n",
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"formula_full": "Tb2 H2 O4",
"formula_reduced": "TbHO2",
"formula_anonymous": "ABC2",
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"spacegroup": 11
},
{
"id": "jvasp-29906",
"created_at": "2022-09-04T14:37:04.570347Z",
"updated_at": "2022-09-04T14:37:04.570364Z",
"structure_string": "Tb2 H4 Br2\n1.0\n1.887309 1.089638 10.301888\n-1.887309 1.089638 10.301888\n-0.000000 -2.179276 10.301888\nTb H Br\n2 4 2\ndirect\n0.885546 0.885546 0.885546 Tb\n0.114454 0.114454 0.114454 Tb\n0.813316 0.813316 0.813316 H\n0.186684 0.186684 0.186684 H\n0.545829 0.545829 0.545829 H\n0.454172 0.454172 0.454172 H\n0.718170 0.718170 0.718170 Br\n0.281830 0.281830 0.281830 Br\n",
"nsites": 8,
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"elements": [
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"H",
"Br"
],
"chemical_system": "Br-H-Tb",
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"density_atomic": 0.06293564120551383,
"volume": 127.11398258224332,
"volume_molar": 9.56872869593072,
"formula_full": "Tb2 H4 Br2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-23329",
"created_at": "2022-09-04T14:37:38.546618Z",
"updated_at": "2022-09-04T14:37:38.546642Z",
"structure_string": "Tb4 Ge4 Ru2\n1.0\n4.165169 -0.000000 0.991660\n2.008419 5.393728 0.807342\n-0.009932 -0.011762 9.284815\nTb Ge Ru\n4 4 2\ndirect\n0.316200 0.756061 0.611539 Tb\n0.683801 0.243940 0.388460 Tb\n0.501503 0.170255 0.826740 Tb\n0.498498 0.829746 0.173260 Tb\n0.146247 0.773539 0.933969 Ge\n0.853754 0.226462 0.066030 Ge\n0.013895 0.348063 0.624146 Ge\n0.986106 0.651937 0.375853 Ge\n0.226952 0.416917 0.129177 Ru\n0.773048 0.583084 0.870822 Ru\n",
"nsites": 10,
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"elements": [
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"Ge",
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],
"chemical_system": "Ge-Ru-Tb",
"density": 8.979944084334546,
"density_atomic": 0.04792486726042728,
"volume": 208.65994152178365,
"volume_molar": 12.5657953881755,
"formula_full": "Tb4 Ge4 Ru2",
"formula_reduced": "Tb2Ge2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7511518400000003,
"spacegroup": 12
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{
"id": "jvasp-92783",
"created_at": "2022-09-04T14:36:21.751667Z",
"updated_at": "2022-09-04T14:36:21.751688Z",
"structure_string": "Tb1 Ge2 Ru2\n1.0\n3.967406 -0.000000 -1.563419\n-0.616090 3.919279 -1.563419\n-0.011518 -0.013469 5.786420\nTb Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.370208 0.370208 0.740415 Ge\n0.629793 0.629793 0.259585 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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"elements": [
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"chemical_system": "Ge-Ru-Tb",
"density": 9.362254179664175,
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"volume": 89.80809735892151,
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"formula_full": "Tb1 Ge2 Ru2",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-15093",
"created_at": "2022-09-04T14:37:12.637253Z",
"updated_at": "2022-09-04T14:37:12.637274Z",
"structure_string": "Tb1 Ge2 Rh2\n1.0\n3.881211 -0.000000 -1.439635\n-0.533995 3.844300 -1.439635\n-0.000907 -0.001042 5.949183\nTb Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621457 0.621458 0.242915 Ge\n0.378541 0.378542 0.757083 Ge\n0.249999 0.750000 0.499999 Rh\n0.749999 0.250000 0.499999 Rh\n",
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"volume": 88.7533766909737,
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"formula_full": "Tb1 Ge2 Rh2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-122042",
"created_at": "2022-09-04T14:38:52.042617Z",
"updated_at": "2022-09-04T14:38:52.042641Z",
"structure_string": "Tb4 Ge10 Rh6\n1.0\n7.853013 0.081000 2.917157\n-1.306040 7.744071 2.917157\n0.062515 0.074719 5.998515\nTb Ge Rh\n4 10 6\ndirect\n0.864279 0.593723 0.770977 Tb\n0.406277 0.135721 0.729024 Tb\n0.135720 0.406278 0.229024 Tb\n0.593722 0.864279 0.270977 Tb\n0.220237 0.779762 0.250000 Ge\n0.779762 0.220238 0.750000 Ge\n0.499993 0.500007 0.250000 Ge\n0.500006 0.499993 0.750000 Ge\n0.779772 0.220228 0.250001 Ge\n0.260239 0.067592 0.336113 Ge\n0.932407 0.739761 0.163888 Ge\n0.739760 0.932408 0.663888 Ge\n0.067592 0.260239 0.836112 Ge\n0.220227 0.779772 0.750000 Ge\n-0.000012 0.000011 0.750000 Rh\n0.250833 0.535767 0.606710 Rh\n0.464232 0.749166 0.893291 Rh\n0.749166 0.464233 0.393291 Rh\n0.535767 0.250834 0.106710 Rh\n0.000011 -0.000011 0.250000 Rh\n",
"nsites": 20,
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"elements": [
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"Ge",
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"chemical_system": "Ge-Rh-Tb",
"density": 9.079463924075359,
"density_atomic": 0.055243101403056445,
"volume": 362.03615459745816,
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"formula_full": "Tb4 Ge10 Rh6",
"formula_reduced": "Tb2Ge5Rh3",
"formula_anonymous": "A2B3C5",
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"spacegroup": 72
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{
"id": "jvasp-98093",
"created_at": "2022-09-04T14:35:54.570040Z",
"updated_at": "2022-09-04T14:35:54.570062Z",
"structure_string": "Tb4 Ge6 Pt18\n1.0\n7.248510 0.012421 -2.999538\n-4.237618 6.601376 -0.052221\n-0.021544 -0.026212 10.099839\nTb Ge Pt\n4 6 18\ndirect\n0.497036 0.584711 0.251002 Tb\n0.502964 0.415290 0.748999 Tb\n0.166291 0.753966 0.751002 Tb\n0.833709 0.246035 0.248998 Tb\n0.000000 0.000000 0.500000 Ge\n0.320347 0.637247 0.502900 Ge\n0.365653 0.182553 0.002899 Ge\n0.634348 0.817447 0.997101 Ge\n0.679654 0.362754 0.497101 Ge\n0.000000 0.500000 0.000000 Ge\n0.825664 0.295021 0.740316 Pt\n0.615372 0.865372 0.750000 Pt\n0.943857 0.794296 0.921859 Pt\n0.054705 0.085347 0.759684 Pt\n0.720616 0.695296 0.580325 Pt\n0.943361 0.640491 0.421624 Pt\n0.372437 0.021997 0.578141 Pt\n0.174337 0.704980 0.259684 Pt\n0.945296 0.914654 0.240316 Pt\n0.385029 0.859709 0.080325 Pt\n0.056144 0.205705 0.078141 Pt\n0.279384 0.304705 0.419675 Pt\n0.056640 0.359510 0.578376 Pt\n0.614971 0.140291 0.919675 Pt\n0.281134 0.478264 0.921624 Pt\n0.384629 0.134629 0.250000 Pt\n0.718866 0.521737 0.078376 Pt\n0.627564 0.978003 0.421859 Pt\n",
"nsites": 28,
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"elements": [
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],
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"density": 15.755070282994618,
"density_atomic": 0.0579661373114024,
"volume": 483.0406388747276,
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"formula_full": "Tb4 Ge6 Pt18",
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{
"id": "jvasp-23774",
"created_at": "2022-09-04T14:37:38.331212Z",
"updated_at": "2022-09-04T14:37:38.331232Z",
"structure_string": "Tb4 Ge4 Pt4\n1.0\n4.386571 0.000000 0.000000\n-0.000000 7.055971 0.000000\n0.000000 0.000000 7.645022\nTb Ge Pt\n4 4 4\ndirect\n0.750000 0.503035 0.796210 Tb\n0.250000 0.996965 0.296210 Tb\n0.750000 0.003035 0.703790 Tb\n0.250000 0.496965 0.203790 Tb\n0.250000 0.810470 0.911273 Ge\n0.250000 0.310470 0.588726 Ge\n0.750000 0.189530 0.088726 Ge\n0.750000 0.689530 0.411273 Ge\n0.250000 0.707124 0.584024 Pt\n0.250000 0.207124 0.915975 Pt\n0.750000 0.792876 0.084024 Pt\n0.750000 0.292876 0.415976 Pt\n",
"nsites": 12,
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"elements": [
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"spacegroup": 62
},
{
"id": "jvasp-15558",
"created_at": "2022-09-04T14:36:09.241287Z",
"updated_at": "2022-09-04T14:36:09.241304Z",
"structure_string": "Tb1 Ge2 Pd2\n1.0\n3.991133 -0.000000 -1.543437\n-0.596873 3.946250 -1.543437\n-0.008164 -0.009492 5.910889\nTb Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.619906 0.619906 0.239811 Ge\n0.380095 0.380094 0.760188 Ge\n0.250001 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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"formula_full": "Tb1 Ge2 Pd2",
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"spacegroup": 139
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{
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"created_at": "2022-09-04T14:37:27.426489Z",
"updated_at": "2022-09-04T14:37:27.426513Z",
"structure_string": "Tb1 Ge1 O3\n1.0\n3.898561 0.000000 0.000000\n0.000000 3.898561 0.000000\n-0.000000 -0.000000 3.898561\nTb Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Tb1 Ge1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-23844",
"created_at": "2022-09-04T14:37:38.955941Z",
"updated_at": "2022-09-04T14:37:38.955966Z",
"structure_string": "Tb4 Ge4 Ir4\n1.0\n4.339784 0.000000 0.000000\n0.000000 6.908909 0.000000\n0.000000 0.000000 7.614996\nTb Ge Ir\n4 4 4\ndirect\n0.749999 0.498433 0.806790 Tb\n0.250000 0.001567 0.306790 Tb\n0.749999 0.998433 0.693211 Tb\n0.250000 0.501567 0.193210 Tb\n0.250000 0.794159 0.894447 Ge\n0.250000 0.294159 0.605554 Ge\n0.749999 0.205841 0.105553 Ge\n0.749999 0.705841 0.394447 Ge\n0.250000 0.666404 0.570597 Ir\n0.250000 0.166404 0.929404 Ir\n0.749999 0.833596 0.070596 Ir\n0.749999 0.333596 0.429404 Ir\n",
"nsites": 12,
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"elements": [
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"volume": 228.3217404493295,
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"formula_full": "Tb4 Ge4 Ir4",
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"spacegroup": 62
}
]
}