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{
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"results": [
{
"id": "jvasp-106559",
"created_at": "2022-09-04T14:36:46.956927Z",
"updated_at": "2022-09-04T14:36:46.956937Z",
"structure_string": "Mg1 Hg5\n1.0\n6.157608 -0.000000 0.000000\n-3.078804 5.332645 0.000000\n-0.000000 0.000000 4.640591\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.689348 0.500000 Hg\n0.689348 0.000000 0.500000 Hg\n0.310652 0.310651 0.500000 Hg\n0.666667 0.333333 -0.000000 Hg\n0.333334 0.666666 -0.000000 Hg\n",
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{
"id": "jvasp-23767",
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"structure_string": "Pr4 Zn4 Sn4\n1.0\n2.292926 -3.971465 -0.000000\n2.292926 3.971465 0.000000\n-0.000000 0.000000 16.732462\nPr Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Pr\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333334 0.842798 Zn\n0.666668 0.333334 0.657201 Zn\n0.333334 0.666668 0.157201 Zn\n0.333334 0.666668 0.342799 Zn\n0.666668 0.333334 0.115260 Sn\n0.666668 0.333334 0.384740 Sn\n0.333334 0.666668 0.884740 Sn\n0.333334 0.666668 0.615260 Sn\n",
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{
"id": "jvasp-74652",
"created_at": "2022-09-04T14:35:49.058736Z",
"updated_at": "2022-09-04T14:35:49.058757Z",
"structure_string": "Be1 Tl1 Sb2\n1.0\n4.719031 -0.000000 0.000000\n0.000000 4.719031 0.000000\n0.000000 0.000000 4.561442\nBe Tl Sb\n1 1 2\ndirect\n0.000000 -0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 -0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.039377865719412077,
"volume": 101.57990858372304,
"volume_molar": 15.293212696977811,
"formula_full": "Be1 Tl1 Sb2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-26974",
"created_at": "2022-09-04T14:38:36.113798Z",
"updated_at": "2022-09-04T14:38:36.113809Z",
"structure_string": "Ce2 Ag2 Sb4\n1.0\n4.405139 0.000000 0.000000\n0.000000 4.405139 0.000000\n-0.000000 0.000000 10.468812\nCe Ag Sb\n2 2 4\ndirect\n0.000000 0.500000 0.235717 Ce\n0.500000 0.000000 0.764282 Ce\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.681938 Sb\n0.500000 0.000000 0.318062 Sb\n",
"nsites": 8,
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"elements": [
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"density": 8.035070511291215,
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"volume": 203.149909973055,
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"formula_full": "Ce2 Ag2 Sb4",
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"spacegroup": 129
},
{
"id": "jvasp-117533",
"created_at": "2022-09-04T14:38:51.679469Z",
"updated_at": "2022-09-04T14:38:51.679493Z",
"structure_string": "Ba1 Br1 Cl4\n1.0\n-0.000000 4.239177 4.239177\n4.239177 0.000000 4.239177\n4.239177 4.239177 -0.000000\nBa Br Cl\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Br\n0.375206 0.375206 0.874385 Cl\n0.375206 0.874385 0.375206 Cl\n0.874385 0.375206 0.375206 Cl\n0.375206 0.375206 0.375206 Cl\n",
"nsites": 6,
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"elements": [
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"density": 3.913099717677219,
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"volume": 152.36129184133483,
"volume_molar": 15.292352430732633,
"formula_full": "Ba1 Br1 Cl4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-109318",
"created_at": "2022-09-04T14:38:09.515259Z",
"updated_at": "2022-09-04T14:38:09.515279Z",
"structure_string": "Y2 Mg4\n1.0\n5.191783 -0.000000 2.997477\n1.730594 4.894860 2.997477\n-0.000000 -0.000000 5.994954\nY Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Y\n0.625000 0.125000 0.625000 Mg\n0.624999 0.625000 0.625001 Mg\n0.124999 0.625000 0.625000 Mg\n0.624999 0.625000 0.125001 Mg\n",
"nsites": 6,
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"elements": [
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"spacegroup": 227
},
{
"id": "jvasp-65759",
"created_at": "2022-09-04T14:36:11.142241Z",
"updated_at": "2022-09-04T14:36:11.142251Z",
"structure_string": "Ba1 Ti4 Br1\n1.0\n0.000000 4.239039 4.239039\n4.239039 -0.000000 4.239039\n4.239039 4.239039 0.000000\nBa Ti Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.169384 0.610205 0.610205 Ti\n0.610205 0.610205 0.610205 Ti\n0.610205 0.169384 0.610205 Ti\n0.610205 0.610205 0.169384 Ti\n0.000000 0.000000 0.000000 Br\n",
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"elements": [
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"formula_full": "Ba1 Ti4 Br1",
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"spacegroup": 216
},
{
"id": "jvasp-17452",
"created_at": "2022-09-04T14:38:15.001897Z",
"updated_at": "2022-09-04T14:38:15.001922Z",
"structure_string": "Zr2 Te2 P1\n1.0\n3.790569 0.006542 9.397978\n1.829219 3.320002 9.397978\n0.011053 0.006542 10.133620\nZr Te P\n2 2 1\ndirect\n0.617933 0.617932 0.617934 Zr\n0.382067 0.382066 0.382068 Zr\n0.220717 0.220717 0.220718 Te\n0.779283 0.779281 0.779284 Te\n0.000000 0.000000 0.000000 P\n",
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],
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"density": 6.130057252768494,
"density_atomic": 0.03938791435787842,
"volume": 126.9424919169373,
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"formula_full": "Zr2 Te2 P1",
"formula_reduced": "Zr2Te2P",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6275780066666665,
"spacegroup": 166
},
{
"id": "jvasp-12069",
"created_at": "2022-09-04T14:37:00.026935Z",
"updated_at": "2022-09-04T14:37:00.026960Z",
"structure_string": "Zr2 Te2 P1\n1.0\n3.790569 0.006542 9.397978\n1.829219 3.320002 9.397978\n0.011053 0.006542 10.133620\nZr Te P\n2 2 1\ndirect\n0.617933 0.617932 0.617934 Zr\n0.382067 0.382066 0.382068 Zr\n0.220717 0.220717 0.220718 Te\n0.779283 0.779281 0.779284 Te\n0.000000 0.000000 0.000000 P\n",
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"volume": 126.9424919169373,
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"formula_full": "Zr2 Te2 P1",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-12478",
"created_at": "2022-09-04T14:38:06.590511Z",
"updated_at": "2022-09-04T14:38:06.590521Z",
"structure_string": "Sr2 Zn2 Cl8\n1.0\n6.020087 -0.000001 -2.482326\n-1.023564 5.932433 -2.482327\n-0.003062 -0.003635 8.533630\nSr Zn Cl\n2 2 8\ndirect\n0.875001 0.625000 0.750000 Sr\n0.125000 0.375000 0.250000 Sr\n0.625001 0.875000 0.250000 Zn\n0.375001 0.125001 0.750000 Zn\n0.716837 0.364858 0.914685 Cl\n0.864858 0.697849 0.414685 Cl\n0.283165 0.635143 0.085315 Cl\n0.450174 0.783165 0.585315 Cl\n0.549828 0.216836 0.414685 Cl\n0.802153 0.950173 0.085315 Cl\n0.135143 0.302152 0.585315 Cl\n0.197849 0.049828 0.914685 Cl\n",
"nsites": 12,
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-9076",
"created_at": "2022-09-04T14:37:27.179628Z",
"updated_at": "2022-09-04T14:37:27.179650Z",
"structure_string": "Sr5 Al9\n1.0\n5.707670 0.001721 10.977701\n2.684672 5.036868 10.977701\n0.002866 0.001721 12.372850\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216635 0.216635 0.216635 Sr\n0.783365 0.783365 0.783365 Sr\n0.316633 0.316633 0.316633 Sr\n0.683367 0.683367 0.683366 Sr\n0.000000 0.000000 0.000000 Al\n0.124675 0.124675 0.124675 Al\n0.875326 0.875325 0.875325 Al\n0.237379 0.723251 0.237379 Al\n0.237379 0.237379 0.723250 Al\n0.723251 0.237379 0.237379 Al\n0.276750 0.762621 0.762621 Al\n0.762622 0.276749 0.762621 Al\n0.762621 0.762621 0.276749 Al\n",
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"formula_full": "Sr5 Al9",
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{
"id": "jvasp-99705",
"created_at": "2022-09-04T14:36:16.610388Z",
"updated_at": "2022-09-04T14:36:16.610415Z",
"structure_string": "K2 Al1 Au1 Cl6\n1.0\n6.155231 -0.000000 3.553724\n2.051744 5.803208 3.553724\n0.000000 0.000000 7.107449\nK Al Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.767129 0.232871 0.232870 Cl\n0.232870 0.232871 0.767129 Cl\n0.232870 0.767130 0.767129 Cl\n0.232870 0.767130 0.232870 Cl\n0.767129 0.232871 0.767129 Cl\n0.767129 0.767130 0.232870 Cl\n",
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}