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{
"id": "jvasp-98682",
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"structure_string": "Al8 Pt16\n1.0\n3.957397 0.000000 0.000000\n0.000000 5.514333 -0.000000\n0.000000 0.000000 16.544940\nAl Pt\n8 16\ndirect\n0.000000 0.202707 0.750000 Al\n0.000000 0.797293 0.250000 Al\n0.000000 0.683811 0.591997 Al\n0.000000 0.316188 0.408003 Al\n0.000000 0.683811 0.908003 Al\n0.000000 0.316188 0.091997 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.799709 0.431937 Pt\n0.000000 0.200290 0.568063 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.058298 0.154592 Pt\n0.500000 0.941702 0.845408 Pt\n0.000000 0.729063 0.750000 Pt\n0.500000 0.437064 0.831920 Pt\n0.500000 0.437064 0.668080 Pt\n0.500000 0.562936 0.331920 Pt\n0.000000 0.200290 0.931937 Pt\n0.500000 0.562936 0.168080 Pt\n0.500000 0.941702 0.654592 Pt\n0.500000 0.058298 0.345408 Pt\n0.000000 0.270937 0.250000 Pt\n0.000000 0.799709 0.068063 Pt\n",
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{
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"structure_string": "Tm6 Pt8\n1.0\n7.068805 0.013074 -3.185324\n-4.932988 5.062983 -3.185324\n0.005501 0.013074 7.753338\nTm Pt\n6 8\ndirect\n0.404840 0.024677 0.277117 Tm\n0.024678 0.277117 0.404840 Tm\n0.277116 0.404840 0.024678 Tm\n0.595158 0.975320 0.722882 Tm\n0.975320 0.722881 0.595159 Tm\n0.722881 0.595158 0.975321 Tm\n0.000000 0.000000 0.000000 Pt\n0.499999 0.499999 0.500000 Pt\n0.229693 0.064136 0.549813 Pt\n0.064136 0.549813 0.229694 Pt\n0.549812 0.229693 0.064137 Pt\n0.770304 0.935861 0.450186 Pt\n0.935861 0.450185 0.770305 Pt\n0.450185 0.770304 0.935862 Pt\n",
"nsites": 14,
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"formula_full": "Tm6 Pt8",
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"formula_anonymous": "A3B4",
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"spacegroup": 148
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{
"id": "jvasp-65055",
"created_at": "2022-09-04T14:35:47.435821Z",
"updated_at": "2022-09-04T14:35:47.435842Z",
"structure_string": "Be1 Ir4 Pd1\n1.0\n0.000000 3.630775 3.630775\n3.630775 0.000000 3.630775\n3.630775 3.630775 -0.000000\nBe Ir Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124367 0.625212 0.625212 Ir\n0.625212 0.625212 0.625212 Ir\n0.625212 0.124367 0.625212 Ir\n0.625212 0.625212 0.124367 Ir\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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"elements": [
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"density": 15.339839193581486,
"density_atomic": 0.06267917123968432,
"volume": 95.72557966754346,
"volume_molar": 9.607881918175678,
"formula_full": "Be1 Ir4 Pd1",
"formula_reduced": "BeIr4Pd",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-92550",
"created_at": "2022-09-04T14:36:33.177210Z",
"updated_at": "2022-09-04T14:36:33.177253Z",
"structure_string": "Sc1 Au4\n1.0\n-0.000000 0.000000 4.082200\n-3.323006 3.323006 2.041099\n-3.323006 -3.323006 2.041099\nSc Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.602297 0.601286 0.194122 Au\n0.397703 0.398715 0.805880 Au\n0.203581 0.194122 0.398715 Au\n0.796418 0.805880 0.601286 Au\n",
"nsites": 5,
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"formula_full": "Sc1 Au4",
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"spacegroup": 87
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{
"id": "jvasp-62131",
"created_at": "2022-09-04T14:35:45.917408Z",
"updated_at": "2022-09-04T14:35:45.917438Z",
"structure_string": "Sc1 Au4\n1.0\n-3.323170 3.323170 2.040986\n3.323170 -3.323170 2.040986\n3.323170 3.323170 -2.040986\nSc Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.397708 0.203591 0.601299 Au\n0.602293 0.796410 0.398701 Au\n0.203591 0.602292 0.805882 Au\n0.796410 0.397709 0.194118 Au\n",
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{
"id": "jvasp-75714",
"created_at": "2022-09-04T14:36:07.412017Z",
"updated_at": "2022-09-04T14:36:07.412044Z",
"structure_string": "As1 Ir2 Ru1\n1.0\n0.000000 3.119267 3.119267\n3.119267 0.000000 3.119267\n3.119267 3.119267 0.000000\nAs Ir Ru\n1 2 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Ru\n",
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"elements": [
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"spacegroup": 216
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{
"id": "jvasp-14783",
"created_at": "2022-09-04T14:38:06.733587Z",
"updated_at": "2022-09-04T14:38:06.733610Z",
"structure_string": "Tm1 Au2\n1.0\n3.449737 0.000000 -1.306912\n-0.495116 3.414022 -1.306912\n-0.008227 -0.009506 5.184718\nTm Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.664025 0.664025 0.328051 Au\n0.335973 0.335973 0.671950 Au\n",
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"formula_full": "Tm1 Au2",
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"spacegroup": 139
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{
"id": "jvasp-20492",
"created_at": "2022-09-04T14:37:45.480069Z",
"updated_at": "2022-09-04T14:37:45.480087Z",
"structure_string": "W1 C1\n1.0\n1.465007 -2.537467 -0.000000\n1.465007 2.537467 0.000000\n0.000000 0.000000 2.853865\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.666668 0.333334 0.500001 C\n",
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"elements": [
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},
{
"id": "jvasp-20229",
"created_at": "2022-09-04T14:37:51.771588Z",
"updated_at": "2022-09-04T14:37:51.771615Z",
"structure_string": "W1 C1\n1.0\n1.465007 -2.537467 -0.000000\n1.465007 2.537467 0.000000\n0.000000 0.000000 2.853865\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.666668 0.333334 0.500001 C\n",
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},
{
"id": "jvasp-17179",
"created_at": "2022-09-04T14:37:39.815536Z",
"updated_at": "2022-09-04T14:37:39.815566Z",
"structure_string": "W1 C1\n1.0\n2.691146 0.000000 1.553734\n0.897049 2.537237 1.553734\n-0.000000 0.000000 3.107469\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.500001 0.500001 0.499998 C\n",
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},
{
"id": "jvasp-38367",
"created_at": "2022-09-04T14:37:53.332230Z",
"updated_at": "2022-09-04T14:37:53.332256Z",
"structure_string": "Pu3 Sc1\n1.0\n0.000000 3.478651 3.478651\n3.478651 0.000000 3.478651\n3.478651 3.478651 0.000000\nPu Sc\n3 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Pu\n0.250000 0.250000 0.250000 Pu\n0.750000 0.750000 0.750000 Sc\n",
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{
"id": "jvasp-102990",
"created_at": "2022-09-04T14:36:41.535512Z",
"updated_at": "2022-09-04T14:36:41.535521Z",
"structure_string": "Ti1 Au3\n1.0\n3.803685 -0.065607 -3.004859\n-0.932233 3.688260 -3.004859\n0.052002 0.065606 4.847112\nTi Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.250000 0.500000 Au\n0.250001 0.750000 0.500000 Au\n0.500001 0.500000 0.000000 Au\n",
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