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{
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"results": [
{
"id": "jvasp-122131",
"created_at": "2022-09-04T14:38:55.540529Z",
"updated_at": "2022-09-04T14:38:55.540552Z",
"structure_string": "Dy3 P6 Pd20\n1.0\n7.516217 -0.000000 4.339490\n2.505406 7.086357 4.339490\n-0.000000 -0.000000 8.678980\nDy P Pd\n3 6 20\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750001 0.750000 0.750000 Dy\n0.000000 0.000000 0.000000 Dy\n0.263460 0.263460 0.736540 P\n0.736541 0.263460 0.736540 P\n0.736541 0.736541 0.263459 P\n0.263460 0.736541 0.736540 P\n0.736541 0.263460 0.263459 P\n0.263460 0.736541 0.263459 P\n0.000000 0.345569 0.654431 Pd\n0.000000 0.000000 0.654432 Pd\n0.000000 0.000000 0.345568 Pd\n0.345569 0.000000 0.654432 Pd\n0.000000 0.654432 -0.000000 Pd\n0.654432 0.000000 0.345568 Pd\n0.000000 0.345569 -0.000000 Pd\n0.000000 0.654432 0.345568 Pd\n0.654432 0.000000 -0.000000 Pd\n0.616185 0.151444 0.616185 Pd\n0.151444 0.616185 0.616185 Pd\n0.848557 0.383815 0.383815 Pd\n0.654432 0.345569 -0.000000 Pd\n0.616186 0.616185 0.151444 Pd\n0.383816 0.848556 0.383815 Pd\n0.383815 0.383815 0.848556 Pd\n0.616186 0.616185 0.616185 Pd\n0.383815 0.383815 0.383815 Pd\n0.345569 0.000000 -0.000000 Pd\n0.345569 0.654432 -0.000000 Pd\n",
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{
"id": "jvasp-87155",
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"updated_at": "2022-09-04T14:35:48.457127Z",
"structure_string": "Be26 Sb2\n1.0\n6.312790 0.000000 3.644691\n2.104264 5.951756 3.644691\n-0.000000 -0.000000 7.289382\nBe Sb\n26 2\ndirect\n0.931839 0.285519 0.714481 Be\n0.068161 0.714482 0.285518 Be\n0.214481 0.431839 0.568161 Be\n0.431838 0.568162 0.214481 Be\n0.568161 0.214482 0.431839 Be\n0.214481 0.568162 0.785518 Be\n0.214481 0.785519 0.431839 Be\n0.785518 0.568162 0.431839 Be\n0.285518 0.714482 0.931838 Be\n0.285519 0.068161 0.714481 Be\n0.068160 0.931839 0.714481 Be\n0.714481 0.931839 0.285518 Be\n0.931838 0.714482 0.068161 Be\n0.714481 0.285519 0.068161 Be\n0.931839 0.068161 0.285518 Be\n0.068161 0.285519 0.931838 Be\n0.785518 0.431839 0.214481 Be\n0.431838 0.785519 0.568161 Be\n0.431839 0.214482 0.785518 Be\n0.568161 0.785519 0.214481 Be\n0.785518 0.214482 0.568161 Be\n0.568161 0.431839 0.785518 Be\n0.285518 0.931839 0.068161 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.714481 0.068161 0.931838 Be\n0.749999 0.750001 0.750000 Sb\n0.250000 0.250000 0.250000 Sb\n",
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"formula_full": "Be26 Sb2",
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{
"id": "jvasp-97845",
"created_at": "2022-09-04T14:36:01.886151Z",
"updated_at": "2022-09-04T14:36:01.886184Z",
"structure_string": "Ag26 Os2 O12\n1.0\n8.141192 0.000000 4.700319\n2.713731 7.675589 4.700319\n-0.000000 -0.000000 9.400638\nAg Os O\n26 2 12\ndirect\n0.792357 0.564143 0.435857 Ag\n0.435857 0.564143 0.207643 Ag\n0.564143 0.207643 0.435857 Ag\n0.207643 0.564143 0.792358 Ag\n0.207643 0.792357 0.435857 Ag\n0.707642 0.064143 0.935857 Ag\n0.292357 0.707643 0.935857 Ag\n0.292357 0.064143 0.707643 Ag\n0.064143 0.935857 0.707643 Ag\n0.707642 0.935857 0.292358 Ag\n0.935857 0.707643 0.064143 Ag\n0.707642 0.292357 0.064143 Ag\n0.935857 0.064143 0.292358 Ag\n0.064143 0.292357 0.935857 Ag\n0.792357 0.435857 0.207643 Ag\n0.435857 0.792357 0.564143 Ag\n0.435857 0.207643 0.792358 Ag\n0.564143 0.792357 0.207643 Ag\n0.792357 0.207643 0.564143 Ag\n0.564143 0.435857 0.792358 Ag\n0.292357 0.935857 0.064143 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.935857 0.292357 0.707643 Ag\n0.207643 0.435857 0.564143 Ag\n0.064143 0.707643 0.292358 Ag\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n0.394587 0.105413 0.105413 O\n0.394587 0.394587 0.105413 O\n0.105413 0.105413 0.394587 O\n0.394587 0.105413 0.394587 O\n0.105413 0.394587 0.105413 O\n0.105413 0.394587 0.394587 O\n0.605413 0.894587 0.894587 O\n0.605413 0.605413 0.894587 O\n0.894587 0.894587 0.605414 O\n0.605413 0.894587 0.605414 O\n0.894587 0.605413 0.894587 O\n0.894587 0.605413 0.605414 O\n",
"nsites": 40,
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"formula_full": "Ag26 Os2 O12",
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"spacegroup": 226
},
{
"id": "jvasp-87141",
"created_at": "2022-09-04T14:36:19.629719Z",
"updated_at": "2022-09-04T14:36:19.629746Z",
"structure_string": "Rb2 Cd26\n1.0\n8.603444 0.000000 4.967201\n2.867814 8.111404 4.967201\n-0.000000 -0.000000 9.934401\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.802125 0.197874 0.557916 Cd\n0.557915 0.442084 0.802126 Cd\n0.442084 0.557915 0.197874 Cd\n0.302126 0.057915 0.697874 Cd\n0.057915 0.697874 0.302126 Cd\n0.697874 0.302126 0.057916 Cd\n0.302126 0.697874 0.942085 Cd\n0.302125 0.942084 0.057916 Cd\n0.942084 0.697874 0.057916 Cd\n0.197874 0.557915 0.802126 Cd\n0.197874 0.442084 0.557916 Cd\n0.442084 0.802126 0.557916 Cd\n0.557915 0.802126 0.197874 Cd\n0.802125 0.557915 0.442085 Cd\n0.557915 0.197874 0.442085 Cd\n0.802125 0.442084 0.197874 Cd\n0.442084 0.197874 0.802126 Cd\n0.942084 0.057915 0.302126 Cd\n0.057915 0.942084 0.697874 Cd\n0.057915 0.302126 0.942085 Cd\n0.697873 0.942084 0.302126 Cd\n0.942084 0.302126 0.697874 Cd\n0.697874 0.057915 0.942085 Cd\n0.197874 0.802126 0.442085 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 28,
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"elements": [
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"density": 7.409795697528645,
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"volume": 693.2822082788254,
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"formula_full": "Rb2 Cd26",
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"formula_anonymous": "AB13",
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"spacegroup": 226
},
{
"id": "jvasp-31981",
"created_at": "2022-09-04T14:36:46.541446Z",
"updated_at": "2022-09-04T14:36:46.541471Z",
"structure_string": "In6 I24\n1.0\n11.630482 -0.000000 6.714861\n3.876827 10.965322 6.714861\n0.000000 0.000000 13.429723\nIn I\n6 24\ndirect\n0.250000 0.250000 0.750000 In\n0.250000 0.750000 0.250000 In\n0.750000 0.250000 0.250000 In\n0.250000 0.750000 0.750000 In\n0.750000 0.750000 0.250000 In\n0.750000 0.250000 0.750000 In\n0.298251 0.701749 0.049690 I\n0.049691 0.950309 0.298251 I\n0.298251 0.049690 0.950309 I\n0.701749 0.049690 0.298251 I\n0.298251 0.950309 0.701749 I\n0.950310 0.298251 0.049690 I\n0.049690 0.298251 0.701749 I\n0.701749 0.950309 0.049690 I\n0.701749 0.298251 0.950309 I\n0.049691 0.701749 0.950309 I\n0.450310 0.798251 0.201749 I\n0.201749 0.549690 0.450310 I\n0.201749 0.450310 0.798251 I\n0.950310 0.049690 0.701749 I\n0.798251 0.201749 0.450310 I\n0.450310 0.549690 0.798251 I\n0.549690 0.450310 0.201749 I\n0.201749 0.798251 0.549690 I\n0.798251 0.450310 0.549690 I\n0.798251 0.549690 0.201749 I\n0.549690 0.798251 0.450309 I\n0.549690 0.201749 0.798251 I\n0.450310 0.201749 0.549690 I\n0.950310 0.701749 0.298251 I\n",
"nsites": 30,
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"elements": [
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"formula_full": "In6 I24",
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},
{
"id": "jvasp-20168",
"created_at": "2022-09-04T14:37:31.659741Z",
"updated_at": "2022-09-04T14:37:31.659764Z",
"structure_string": "Th2 Be26\n1.0\n6.341315 -0.000000 3.661160\n2.113771 5.978649 3.661160\n-0.000000 0.000000 7.322319\nTh Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Th\n0.250000 0.250000 0.250000 Th\n0.062492 0.287072 0.712928 Be\n0.712929 0.937508 0.062492 Be\n0.937508 0.712928 0.287071 Be\n0.212928 0.562492 0.437508 Be\n0.562493 0.437508 0.212928 Be\n0.437508 0.212928 0.562492 Be\n0.212928 0.437508 0.787072 Be\n0.212928 0.787072 0.562492 Be\n0.787072 0.437508 0.562492 Be\n0.287072 0.712928 0.062492 Be\n0.287072 0.937508 0.712928 Be\n0.937509 0.062492 0.712928 Be\n0.000000 0.000000 0.000000 Be\n0.712929 0.287072 0.937508 Be\n0.062492 0.937508 0.287072 Be\n0.937508 0.287072 0.062492 Be\n0.787072 0.562492 0.212928 Be\n0.562492 0.787072 0.437508 Be\n0.562493 0.212928 0.787072 Be\n0.437508 0.787072 0.212928 Be\n0.787072 0.212928 0.437508 Be\n0.437508 0.562492 0.787072 Be\n0.287072 0.062492 0.937508 Be\n0.500000 0.500000 0.500000 Be\n0.062492 0.712928 0.937508 Be\n0.712929 0.062492 0.287071 Be\n",
"nsites": 28,
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{
"id": "jvasp-20382",
"created_at": "2022-09-04T14:37:33.776412Z",
"updated_at": "2022-09-04T14:37:33.776439Z",
"structure_string": "Sr2 Be26\n1.0\n6.368834 -0.000000 3.677048\n2.122945 6.004595 3.677048\n-0.000000 -0.000000 7.354097\nSr Be\n2 26\ndirect\n0.749999 0.749999 0.750001 Sr\n0.250000 0.250000 0.250000 Sr\n0.934400 0.285290 0.714711 Be\n0.714710 0.065599 0.934402 Be\n0.065599 0.714710 0.285291 Be\n0.214710 0.434400 0.565600 Be\n0.434400 0.565599 0.214711 Be\n0.565599 0.214710 0.434401 Be\n0.214710 0.565599 0.785291 Be\n0.214710 0.785289 0.434402 Be\n0.785289 0.565599 0.434402 Be\n0.285289 0.714710 0.934402 Be\n0.285290 0.065599 0.714711 Be\n0.065599 0.934400 0.714711 Be\n0.000000 0.000000 0.000000 Be\n0.714710 0.285290 0.065600 Be\n0.934400 0.065599 0.285291 Be\n0.065599 0.285290 0.934401 Be\n0.785289 0.434400 0.214711 Be\n0.434400 0.785289 0.565601 Be\n0.434400 0.214710 0.785291 Be\n0.565599 0.785289 0.214711 Be\n0.785289 0.214710 0.565600 Be\n0.565599 0.434400 0.785291 Be\n0.285289 0.934400 0.065600 Be\n0.499999 0.500000 0.500001 Be\n0.934400 0.714710 0.065601 Be\n0.714709 0.934400 0.285291 Be\n",
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},
{
"id": "jvasp-20212",
"created_at": "2022-09-04T14:37:34.537632Z",
"updated_at": "2022-09-04T14:37:34.537659Z",
"structure_string": "Ca2 Be26\n1.0\n6.269124 -0.000000 3.619480\n2.089708 5.910586 3.619480\n-0.000000 -0.000000 7.238961\nCa Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.935102 0.288301 0.711699 Be\n0.711699 0.064898 0.935103 Be\n0.064898 0.711700 0.288300 Be\n0.211699 0.435103 0.564897 Be\n0.435102 0.564898 0.211699 Be\n0.564897 0.211699 0.435103 Be\n0.211699 0.564898 0.788301 Be\n0.211699 0.788301 0.435102 Be\n0.788300 0.564898 0.435102 Be\n0.288301 0.711700 0.935102 Be\n0.288301 0.064898 0.711699 Be\n0.064898 0.935103 0.711699 Be\n0.000000 0.000000 0.000000 Be\n0.711699 0.288301 0.064898 Be\n0.935102 0.064898 0.288301 Be\n0.064898 0.288301 0.935102 Be\n0.788300 0.435103 0.211699 Be\n0.435102 0.788301 0.564897 Be\n0.435102 0.211699 0.788301 Be\n0.564897 0.788301 0.211699 Be\n0.788300 0.211699 0.564898 Be\n0.564897 0.435103 0.788301 Be\n0.288301 0.935103 0.064897 Be\n0.500000 0.500000 0.500000 Be\n0.935102 0.711700 0.064898 Be\n0.711699 0.935103 0.288301 Be\n",
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"elements": [
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"spacegroup": 226
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{
"id": "jvasp-20221",
"created_at": "2022-09-04T14:37:41.168181Z",
"updated_at": "2022-09-04T14:37:41.168215Z",
"structure_string": "Hf2 Be26\n1.0\n6.098446 0.000000 3.520939\n2.032815 5.749670 3.520939\n0.000000 0.000000 7.041879\nHf Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.750000 0.750000 Hf\n0.061872 0.706713 0.293287 Be\n0.206713 0.438128 0.561871 Be\n0.438129 0.561872 0.206713 Be\n0.561872 0.206713 0.438128 Be\n0.206713 0.561872 0.793287 Be\n0.206714 0.793287 0.438128 Be\n0.793288 0.561872 0.438128 Be\n0.293288 0.706713 0.938128 Be\n0.293287 0.061872 0.706713 Be\n0.061872 0.938128 0.706713 Be\n0.706714 0.938128 0.293287 Be\n0.938130 0.706713 0.061871 Be\n0.938129 0.293287 0.706713 Be\n0.061872 0.293287 0.938128 Be\n0.793288 0.438128 0.206713 Be\n0.438129 0.793287 0.561871 Be\n0.438129 0.206713 0.793287 Be\n0.561873 0.793287 0.206712 Be\n0.793288 0.206713 0.561871 Be\n0.561872 0.438128 0.793287 Be\n0.293288 0.938128 0.061871 Be\n0.500001 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.706713 0.061872 0.938128 Be\n0.938129 0.061872 0.293287 Be\n0.706713 0.293287 0.061871 Be\n",
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{
"id": "jvasp-39814",
"created_at": "2022-09-04T14:37:55.636578Z",
"updated_at": "2022-09-04T14:37:55.636605Z",
"structure_string": "Yb2 Be26\n1.0\n0.000000 5.102681 5.102681\n5.102681 -0.000000 5.102681\n5.102681 5.102681 -0.000000\nYb Be\n2 26\ndirect\n0.249999 0.249999 0.249999 Yb\n0.750000 0.750000 0.750000 Yb\n0.210891 0.789110 0.564489 Be\n0.789108 0.435510 0.564491 Be\n0.435510 0.564491 0.789108 Be\n0.435509 0.789109 0.210892 Be\n0.789109 0.210892 0.435509 Be\n0.564489 0.210891 0.789110 Be\n0.564490 0.435511 0.210890 Be\n0.210890 0.564490 0.435511 Be\n0.789110 0.564489 0.210891 Be\n0.564491 0.789108 0.435510 Be\n0.210892 0.435509 0.789109 Be\n0.435511 0.210890 0.564490 Be\n0.710892 0.289109 0.935510 Be\n0.064489 0.710890 0.935512 Be\n0.935512 0.064489 0.710890 Be\n0.710890 0.064489 0.289111 Be\n0.289111 0.710890 0.064489 Be\n0.289109 0.935510 0.710892 Be\n0.064491 0.935510 0.289109 Be\n0.935510 0.289109 0.064491 Be\n0.289109 0.064491 0.935510 Be\n0.064489 0.289111 0.710890 Be\n0.710890 0.935512 0.064489 Be\n0.935510 0.710892 0.289109 Be\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n",
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"formula_anonymous": "AB13",
"energy_above_hull": 2.0304835714285714,
"spacegroup": 226
},
{
"id": "jvasp-31825",
"created_at": "2022-09-04T14:37:59.133094Z",
"updated_at": "2022-09-04T14:37:59.133125Z",
"structure_string": "Al6 Br24\n1.0\n12.409016 0.000000 -0.000000\n6.204508 10.746522 -0.000000\n6.204508 3.582174 10.131918\nAl Br\n6 24\ndirect\n0.250000 0.250000 0.750000 Al\n0.750001 0.250000 0.750000 Al\n0.750001 0.750000 0.250000 Al\n0.250001 0.749999 0.750000 Al\n0.250000 0.750000 0.250000 Al\n0.750000 0.250000 0.250000 Al\n0.286756 0.067019 0.713245 Br\n0.786756 0.213244 0.567020 Br\n0.786756 0.567019 0.432981 Br\n0.713245 0.286755 0.067020 Br\n0.213245 0.432980 0.567020 Br\n0.432981 0.786755 0.567020 Br\n0.067020 0.713244 0.286755 Br\n0.432981 0.567019 0.213245 Br\n0.567020 0.786755 0.213245 Br\n0.213245 0.567019 0.786756 Br\n0.432981 0.213244 0.786756 Br\n0.713245 0.067019 0.932981 Br\n0.713245 0.932980 0.286755 Br\n0.567020 0.432980 0.786756 Br\n0.786756 0.432980 0.213245 Br\n0.286756 0.713244 0.932981 Br\n0.067020 0.932980 0.713245 Br\n0.286756 0.932980 0.067020 Br\n0.067020 0.286755 0.932981 Br\n0.932981 0.286755 0.713245 Br\n0.932981 0.713244 0.067020 Br\n0.932981 0.067019 0.286755 Br\n0.213245 0.786755 0.432981 Br\n0.567020 0.213244 0.432981 Br\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Al",
"Br"
],
"chemical_system": "Al-Br",
"density": 2.5558118483215737,
"density_atomic": 0.02220364687839022,
"volume": 1351.1293961893084,
"volume_molar": 27.122304696086076,
"formula_full": "Al6 Br24",
"formula_reduced": "AlBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.144219844,
"spacegroup": 226
},
{
"id": "jvasp-21802",
"created_at": "2022-09-04T14:38:20.550630Z",
"updated_at": "2022-09-04T14:38:20.550665Z",
"structure_string": "Tb2 Be26\n1.0\n6.243515 -0.000000 3.604695\n2.081172 5.886442 3.604695\n-0.000000 -0.000000 7.209390\nTb Be\n2 26\ndirect\n0.749999 0.750000 0.749999 Tb\n0.250000 0.250000 0.250000 Tb\n0.062899 0.289729 0.710270 Be\n0.710270 0.937100 0.062899 Be\n0.937100 0.710270 0.289729 Be\n0.210270 0.562899 0.437100 Be\n0.562899 0.437100 0.210270 Be\n0.437100 0.210270 0.562899 Be\n0.210270 0.437100 0.789729 Be\n0.210270 0.789729 0.562899 Be\n0.789729 0.437100 0.562899 Be\n0.289729 0.710270 0.062899 Be\n0.289729 0.937100 0.710270 Be\n0.937100 0.062899 0.710270 Be\n0.000000 0.000000 0.000000 Be\n0.710270 0.289729 0.937100 Be\n0.062899 0.937100 0.289729 Be\n0.937100 0.289729 0.062899 Be\n0.789729 0.562899 0.210270 Be\n0.562899 0.789729 0.437100 Be\n0.562899 0.210270 0.789729 Be\n0.437100 0.789729 0.210270 Be\n0.789729 0.210270 0.437100 Be\n0.437100 0.562899 0.789729 Be\n0.289729 0.062899 0.937100 Be\n0.500000 0.500000 0.500000 Be\n0.062899 0.710270 0.937100 Be\n0.710270 0.062899 0.289729 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Tb",
"Be"
],
"chemical_system": "Be-Tb",
"density": 3.460503847694454,
"density_atomic": 0.10567627172170876,
"volume": 264.9601423651289,
"volume_molar": 5.698668832544448,
"formula_full": "Tb2 Be26",
"formula_reduced": "TbBe13",
"formula_anonymous": "AB13",
"energy_above_hull": 2.22189055,
"spacegroup": 226
}
]
}