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{
"id": "jvasp-99804",
"created_at": "2022-09-04T14:36:18.535793Z",
"updated_at": "2022-09-04T14:36:18.535819Z",
"structure_string": "Li6 Yb2\n1.0\n6.731938 -0.000000 -0.000000\n-3.365969 5.830030 0.000000\n-0.000000 -0.000000 5.252286\nYb Li\n2 6\ndirect\n0.333333 0.666667 0.750001 Yb\n0.666667 0.333333 0.250000 Yb\n0.146638 0.293277 0.250000 Li\n0.706723 0.853362 0.250000 Li\n0.146638 0.853362 0.250000 Li\n0.853362 0.706723 0.750001 Li\n0.293277 0.146638 0.750001 Li\n0.853362 0.146638 0.750001 Li\n",
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{
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"created_at": "2022-09-04T14:38:26.996676Z",
"updated_at": "2022-09-04T14:38:26.996696Z",
"structure_string": "Pm2 Mg1 Cd1\n1.0\n4.674898 -0.000000 2.699054\n1.558299 4.407536 2.699054\n-0.000000 -0.000000 5.398108\nPm Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750001 0.749999 Pm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.499999 Cd\n",
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{
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"structure_string": "Sc2 Br2 O2\n1.0\n3.562931 0.000000 0.000000\n0.000000 3.963851 0.000000\n0.000000 0.000000 8.680819\nSc Br O\n2 2 2\ndirect\n0.250000 0.750000 0.607170 Sc\n0.750000 0.250000 0.392831 Sc\n0.750000 0.750000 0.834708 Br\n0.250000 0.250000 0.165292 Br\n0.750000 0.750000 0.467440 O\n0.250000 0.250000 0.532560 O\n",
"nsites": 6,
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"volume": 122.59857830890944,
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},
{
"id": "jvasp-1696",
"created_at": "2022-09-04T14:36:21.596032Z",
"updated_at": "2022-09-04T14:36:21.596051Z",
"structure_string": "Ba1 Li1 As1\n1.0\n2.258465 -3.911776 -0.000000\n2.258465 3.911776 0.000000\n-0.000000 -0.000000 4.594273\nBa Li As\n1 1 1\ndirect\n0.666666 0.333332 0.000000 Ba\n0.000000 0.000000 0.500000 Li\n0.333332 0.666666 0.500000 As\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.03695618380638911,
"volume": 81.17721287773631,
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-17432",
"created_at": "2022-09-04T14:38:14.758273Z",
"updated_at": "2022-09-04T14:38:14.758295Z",
"structure_string": "Cu2 Sn1 Hg1 Se4\n1.0\n5.390379 0.000000 -2.450882\n-1.114360 5.273934 -2.450882\n-0.002946 -0.003632 7.146662\nCu Sn Hg Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.399225 0.399225 0.285162 Se\n0.885937 0.885936 0.285162 Se\n0.114063 0.600775 0.714838 Se\n0.600774 0.114064 0.714838 Se\n",
"nsites": 8,
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"density": 6.23281533273297,
"density_atomic": 0.03939471581122329,
"volume": 203.0729207017367,
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"formula_full": "Cu2 Sn1 Hg1 Se4",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-8327",
"created_at": "2022-09-04T14:37:05.815697Z",
"updated_at": "2022-09-04T14:37:05.815733Z",
"structure_string": "Y1 Ti1 F5\n1.0\n3.905369 -0.000000 1.436164\n1.601523 5.317486 1.673000\n0.084220 0.062307 5.799007\nY Ti F\n1 1 5\ndirect\n0.500000 0.500001 0.500000 Y\n0.000000 0.000000 0.000000 Ti\n0.499999 0.821906 0.178095 F\n0.500000 0.178095 0.821905 F\n0.760470 0.239530 0.239529 F\n0.239529 0.760471 0.760470 F\n-0.000001 0.500001 0.500000 F\n",
"nsites": 7,
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"spacegroup": 71
},
{
"id": "jvasp-18608",
"created_at": "2022-09-04T14:36:59.250056Z",
"updated_at": "2022-09-04T14:36:59.250082Z",
"structure_string": "Ho2 Au6\n1.0\n5.011389 0.000000 0.000000\n0.000000 5.119392 0.000000\n0.000000 0.000000 6.190781\nHo Au\n2 6\ndirect\n0.000000 0.658304 0.500000 Ho\n0.500000 0.341695 0.000000 Ho\n0.500000 0.836463 0.255711 Au\n0.000000 0.163537 0.244289 Au\n0.500000 0.836463 0.744289 Au\n0.000000 0.163537 0.755711 Au\n0.500000 0.334237 0.500000 Au\n0.000000 0.665763 0.000000 Au\n",
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"volume": 158.82612559824477,
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"formula_full": "Ho2 Au6",
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"spacegroup": 59
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{
"id": "jvasp-12062",
"created_at": "2022-09-04T14:37:07.092805Z",
"updated_at": "2022-09-04T14:37:07.092823Z",
"structure_string": "Tl2 S2\n1.0\n-2.027469 -3.511680 0.000000\n-4.054939 -0.000000 0.000000\n-2.027469 -1.170560 -7.167771\nTl S\n2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.737693 0.737693 0.786921 S\n0.262307 0.262307 0.213079 S\n",
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"formula_full": "Tl2 S2",
"formula_reduced": "TlS",
"formula_anonymous": "AB",
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"spacegroup": 166
},
{
"id": "jvasp-52281",
"created_at": "2022-09-04T14:36:57.592539Z",
"updated_at": "2022-09-04T14:36:57.592562Z",
"structure_string": "Mg3 Zn1 O4\n1.0\n0.000000 2.130036 2.130036\n-4.254379 2.126179 -2.126179\n-4.254379 -2.126179 2.126179\nMg Zn O\n3 1 4\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500001 -0.000000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n-0.000000 0.746684 0.746684 O\n0.500001 0.256149 0.743851 O\n0.500001 0.743851 0.256149 O\n-0.000000 0.253316 0.253316 O\n",
"nsites": 8,
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],
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"density": 4.359216239325104,
"density_atomic": 0.10380231791589503,
"volume": 77.06956993467077,
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"formula_full": "Mg3 Zn1 O4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 65
},
{
"id": "jvasp-41003",
"created_at": "2022-09-04T14:37:35.308222Z",
"updated_at": "2022-09-04T14:37:35.308244Z",
"structure_string": "Nd2 Mg1 Tl1\n1.0\n0.000000 3.873145 3.873145\n3.873145 0.000000 3.873145\n3.873145 3.873145 0.000000\nNd Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.499999 Nd\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Tl\n",
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"volume": 116.20404983481505,
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"formula_full": "Nd2 Mg1 Tl1",
"formula_reduced": "Nd2MgTl",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-94078",
"created_at": "2022-09-04T14:36:13.541946Z",
"updated_at": "2022-09-04T14:36:13.541975Z",
"structure_string": "Mg6 Ti1 V1\n1.0\n6.296592 -0.104258 0.000000\n-3.238586 5.400879 0.000000\n0.000000 0.000000 4.835742\nMg Ti V\n6 1 1\ndirect\n0.178443 0.838365 0.250000 Mg\n0.661634 0.321556 0.250000 Mg\n0.671036 0.828963 0.250000 Mg\n0.319974 0.662238 0.750000 Mg\n0.837761 0.180025 0.750000 Mg\n0.831627 0.668372 0.750000 Mg\n0.312499 0.187501 0.750000 Ti\n0.187020 0.312980 0.250000 V\n",
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"spacegroup": 38
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{
"id": "jvasp-58032",
"created_at": "2022-09-04T14:37:31.543125Z",
"updated_at": "2022-09-04T14:37:31.543152Z",
"structure_string": "Mg4 Cu4 O8\n1.0\n3.129482 0.170523 0.024566\n-0.785193 7.976847 0.284457\n-1.443005 -2.588947 7.522462\nMg Cu O\n4 4 8\ndirect\n0.627502 0.752676 0.140833 Mg\n0.533801 0.226294 0.862554 Mg\n0.964978 0.828298 0.780250 Mg\n0.072790 0.091849 0.181483 Mg\n0.368195 0.424971 0.252054 Cu\n0.197377 0.822606 0.477537 Cu\n0.814346 0.146769 0.516519 Cu\n0.216530 0.478319 0.653741 Cu\n0.736443 0.346154 0.693510 O\n0.633081 0.236399 0.318861 O\n0.395492 0.705646 0.649094 O\n0.185881 0.642874 0.258137 O\n0.111248 0.245942 0.020588 O\n0.909838 0.955808 0.344271 O\n0.088358 0.847483 0.024741 O\n0.115570 0.025364 0.683677 O\n",
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