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{
"id": "jvasp-108741",
"created_at": "2022-09-04T14:38:27.710675Z",
"updated_at": "2022-09-04T14:38:27.710694Z",
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{
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{
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"structure_string": "Pr2 Zn6 P6\n1.0\n2.032517 -3.520423 0.000000\n2.032517 3.520423 0.000000\n0.000000 0.000000 20.210043\nPr Zn P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333334 0.666668 0.750000 Zn\n0.666668 0.333334 0.250000 Zn\n0.666668 0.333334 0.629607 Zn\n0.333334 0.666668 0.129607 Zn\n0.333334 0.666668 0.370393 Zn\n0.666668 0.333334 0.870392 Zn\n0.666668 0.333334 0.750000 P\n0.333334 0.666668 0.250000 P\n0.666668 0.333334 0.088234 P\n0.333334 0.666668 0.588234 P\n0.333334 0.666668 0.911766 P\n0.666668 0.333334 0.411766 P\n",
"nsites": 14,
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"formula_full": "Pr2 Zn6 P6",
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{
"id": "jvasp-9173",
"created_at": "2022-09-04T14:37:52.753463Z",
"updated_at": "2022-09-04T14:37:52.753483Z",
"structure_string": "P8 Pt4\n1.0\n5.773099 -0.000000 -0.000000\n0.000000 5.773099 0.000000\n0.000000 -0.000000 5.773099\nP Pt\n8 4\ndirect\n0.389850 0.389850 0.389850 P\n0.110150 0.610150 0.889850 P\n0.889850 0.110150 0.610150 P\n0.610150 0.889850 0.110150 P\n0.610150 0.610150 0.610150 P\n0.889850 0.389850 0.110150 P\n0.110150 0.889850 0.389850 P\n0.389850 0.110150 0.889850 P\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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"elements": [
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"chemical_system": "P-Pt",
"density": 8.87295879834161,
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"volume": 192.4097233628575,
"volume_molar": 9.655986980698238,
"formula_full": "P8 Pt4",
"formula_reduced": "P2Pt",
"formula_anonymous": "AB2",
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"spacegroup": 205
},
{
"id": "jvasp-123606",
"created_at": "2022-09-04T14:38:54.956523Z",
"updated_at": "2022-09-04T14:38:54.956555Z",
"structure_string": "P3 Pt1\n1.0\n3.238146 0.000000 -1.036895\n0.190207 3.736149 0.594003\n0.001011 0.936402 5.577847\nP Pt\n3 1\ndirect\n0.603655 -0.053301 0.207308 P\n0.130961 0.299600 0.261921 P\n0.893601 0.620946 0.787201 P\n0.371786 0.132753 0.743573 Pt\n",
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"elements": [
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"density": 7.301437643952871,
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"volume": 65.49998125182823,
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"formula_full": "P3 Pt1",
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"spacegroup": 8
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{
"id": "jvasp-102602",
"created_at": "2022-09-04T14:36:44.140033Z",
"updated_at": "2022-09-04T14:36:44.140055Z",
"structure_string": "Rb4 P4 Pt2\n1.0\n7.871696 -0.081674 0.000000\n-5.149555 5.954187 0.000000\n-0.000000 -0.000000 6.166781\nRb P Pt\n4 4 2\ndirect\n0.789378 0.210623 0.250000 Rb\n0.210623 0.789378 0.750000 Rb\n0.418223 0.581778 0.250000 Rb\n0.581778 0.418224 0.750000 Rb\n0.935766 0.722846 0.250000 P\n0.064235 0.277155 0.750000 P\n0.277155 0.064236 0.250000 P\n0.722846 0.935766 0.750000 P\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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"elements": [
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"density": 4.961979117716156,
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"volume": 286.440596287531,
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"formula_full": "Rb4 P4 Pt2",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-10980",
"created_at": "2022-09-04T14:37:20.039040Z",
"updated_at": "2022-09-04T14:37:20.039074Z",
"structure_string": "Sc4 P4 Pt4\n1.0\n3.827781 0.000000 0.000000\n-0.000000 6.756858 0.000000\n0.000000 0.000000 7.464208\nSc P Pt\n4 4 4\ndirect\n0.750000 0.534513 0.817086 Sc\n0.250000 0.965487 0.317085 Sc\n0.750000 0.034513 0.682915 Sc\n0.250000 0.465487 0.182915 Sc\n0.250000 0.763555 0.627272 P\n0.250000 0.263555 0.872729 P\n0.750000 0.236445 0.372729 P\n0.750000 0.736445 0.127271 P\n0.250000 0.842428 0.943468 Pt\n0.250000 0.342428 0.556532 Pt\n0.750000 0.657572 0.443468 Pt\n0.750000 0.157572 0.056532 Pt\n",
"nsites": 12,
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"elements": [
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"density": 9.324481358375554,
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"volume": 193.05257888925527,
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"formula_full": "Sc4 P4 Pt4",
"formula_reduced": "ScPPt",
"formula_anonymous": "ABC",
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{
"id": "jvasp-16328",
"created_at": "2022-09-04T14:37:48.088659Z",
"updated_at": "2022-09-04T14:37:48.088680Z",
"structure_string": "Sm1 P1 Pt1\n1.0\n2.089792 -3.619626 -0.000000\n2.089792 3.619626 0.000000\n-0.000000 0.000000 3.966739\nSm P Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333332 0.500000 P\n0.333332 0.666667 0.500000 Pt\n",
"nsites": 3,
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"elements": [
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"volume": 60.01093359555276,
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"formula_full": "Sm1 P1 Pt1",
"formula_reduced": "SmPPt",
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},
{
"id": "jvasp-106747",
"created_at": "2022-09-04T14:36:55.112111Z",
"updated_at": "2022-09-04T14:36:55.112129Z",
"structure_string": "Sm2 P3 Pt4\n1.0\n4.084388 0.008137 -9.128157\n-0.178799 4.080481 -9.128157\n-0.007773 -0.008137 10.000271\nSm P Pt\n2 3 4\ndirect\n0.627657 0.627657 -0.000000 Sm\n0.372344 0.372344 -0.000000 Sm\n0.925502 0.925502 -0.000000 P\n0.074498 0.074498 -0.000000 P\n0.750001 0.250000 0.500000 P\n0.803649 0.803649 -0.000000 Pt\n0.196352 0.196352 -0.000000 Pt\n0.999176 0.499176 0.500000 Pt\n0.500825 0.000825 0.500000 Pt\n",
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"elements": [
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},
{
"id": "jvasp-97739",
"created_at": "2022-09-04T14:35:49.854555Z",
"updated_at": "2022-09-04T14:35:49.854571Z",
"structure_string": "Sm4 P6 Pt12\n1.0\n4.129649 0.000000 -0.371687\n-0.033453 4.129513 -0.371687\n0.001026 0.001035 23.138558\nSm P Pt\n4 6 12\ndirect\n0.424508 0.674506 0.349014 Sm\n0.174509 0.924506 0.849014 Sm\n0.825493 0.075493 0.150986 Sm\n0.575494 0.325492 0.650986 Sm\n0.700295 0.450292 0.900587 P\n0.125001 0.374999 0.750000 P\n0.950294 0.200293 0.400587 P\n0.299707 0.549706 0.099413 P\n0.875001 0.624999 0.250000 P\n0.049708 0.799705 0.599413 P\n0.475401 0.225400 0.450800 Pt\n0.350845 0.600844 0.201689 Pt\n0.227361 0.477359 0.954720 Pt\n0.100846 0.850843 0.701689 Pt\n0.649157 0.399154 0.798311 Pt\n0.772641 0.522640 0.045280 Pt\n0.977361 0.727359 0.454720 Pt\n0.022641 0.272639 0.545280 Pt\n0.274600 0.024600 0.049199 Pt\n0.725402 0.975398 0.950800 Pt\n0.524601 0.774599 0.549199 Pt\n0.899156 0.149155 0.298311 Pt\n",
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{
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"structure_string": "Sn1 P1 Pt5\n1.0\n3.993395 -0.000000 0.000000\n-0.000000 3.993395 0.000000\n-0.000000 -0.000000 7.208549\nSn P Pt\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500001 0.500001 0.500000 P\n0.500001 0.500001 0.000000 Pt\n0.500001 0.000000 0.700115 Pt\n0.000000 0.500001 0.700115 Pt\n0.500001 0.000000 0.299885 Pt\n0.000000 0.500001 0.299885 Pt\n",
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"formula_full": "Sn1 P1 Pt5",
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},
{
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"created_at": "2022-09-04T14:36:47.947134Z",
"updated_at": "2022-09-04T14:36:47.947157Z",
"structure_string": "Sr2 P12 Pt8\n1.0\n5.814618 0.000806 0.050244\n0.192227 5.811440 0.050244\n-0.007541 -0.007296 11.588201\nSr P Pt\n2 12 8\ndirect\n0.597912 0.402089 0.250000 Sr\n0.402089 0.597912 0.750000 Sr\n0.129821 0.089453 0.305365 P\n0.608863 0.116376 0.948766 P\n0.116376 0.608862 0.448766 P\n0.391138 0.883625 0.051233 P\n0.615779 0.885576 0.446900 P\n0.883625 0.391138 0.551233 P\n0.384222 0.114425 0.553099 P\n0.885576 0.615778 0.946900 P\n0.089454 0.129820 0.805365 P\n0.870180 0.910547 0.694635 P\n0.910547 0.870180 0.194635 P\n0.114425 0.384222 0.053099 P\n0.506706 0.922687 0.249781 Pt\n0.922687 0.506706 0.749781 Pt\n0.493295 0.077313 0.750218 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.000000 -0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.077314 0.493295 0.250218 Pt\n",
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"elements": [
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}