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{
"id": "jvasp-110215",
"created_at": "2022-09-04T14:38:27.310529Z",
"updated_at": "2022-09-04T14:38:27.310554Z",
"structure_string": "Mg3 Zn1 O4\n1.0\n2.972654 0.000599 9.497819\n1.452107 2.593850 9.497819\n0.001021 0.000599 9.952147\nMg Zn O\n3 1 4\ndirect\n0.249483 0.249484 0.249483 Mg\n0.499999 0.500001 0.500000 Mg\n0.750516 0.750518 0.750517 Mg\n0.000000 0.000000 0.000000 Zn\n0.125286 0.125286 0.125286 O\n0.376823 0.376823 0.376823 O\n0.623176 0.623178 0.623177 O\n0.874713 0.874715 0.874715 O\n",
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{
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"created_at": "2022-09-04T14:38:18.545099Z",
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"structure_string": "Mg1 Zn3 O4\n1.0\n5.497900 0.001310 2.826043\n4.520247 3.129580 2.826043\n-0.000246 -0.000077 5.652666\nMg Zn O\n1 3 4\ndirect\n0.748522 0.748521 0.582773 Mg\n0.249944 0.249944 0.084738 Zn\n0.500841 0.500841 0.168679 Zn\n0.000976 0.000975 0.663570 Zn\n0.937455 0.937454 0.395294 O\n0.441445 0.441444 0.891757 O\n0.191578 0.191577 0.477947 O\n0.691281 0.691280 0.973245 O\n",
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{
"id": "jvasp-115221",
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"updated_at": "2022-09-04T14:38:45.395423Z",
"structure_string": "Mg1 Zr1 O3\n1.0\n4.097090 0.000000 0.000000\n-0.000000 4.097090 0.000000\n0.000000 -0.000000 4.097090\nMg Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 3.94832219957241,
"density_atomic": 0.07270152017485414,
"volume": 68.77435283298782,
"volume_molar": 8.283376668763148,
"formula_full": "Mg1 Zr1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-115223",
"created_at": "2022-09-04T14:38:45.404968Z",
"updated_at": "2022-09-04T14:38:45.404998Z",
"structure_string": "Mg1 Zr1 O1\n1.0\n3.131081 0.000000 -0.000000\n0.000000 3.131081 0.000000\n0.000000 -0.000000 6.950261\nMg Zr O\n1 1 1\ndirect\n0.000000 0.000000 0.276144 Mg\n0.000000 0.000000 0.739251 Zr\n0.000000 0.000000 0.004552 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"chemical_system": "Mg-O-Zr",
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"density_atomic": 0.04402826130622837,
"volume": 68.13805294590661,
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"formula_full": "Mg1 Zr1 O1",
"formula_reduced": "MgZrO",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-91912",
"created_at": "2022-09-04T14:36:14.412383Z",
"updated_at": "2022-09-04T14:36:14.412408Z",
"structure_string": "Mg3 Zr1 O4\n1.0\n4.421218 -0.000000 -0.000000\n0.000000 4.421218 -0.000000\n0.000000 0.000000 4.421218\nMg Zr O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
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"density_atomic": 0.09256870721020849,
"volume": 86.42229367893515,
"volume_molar": 6.505590216707572,
"formula_full": "Mg3 Zr1 O4",
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"spacegroup": 221
},
{
"id": "jvasp-36637",
"created_at": "2022-09-04T14:37:18.671266Z",
"updated_at": "2022-09-04T14:37:18.671298Z",
"structure_string": "Mg1 Zr1 O3\n1.0\n4.104790 -0.000000 0.000000\n0.000000 4.104790 0.000000\n-0.000000 0.000000 4.104790\nMg Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-20775",
"created_at": "2022-09-04T14:37:41.987962Z",
"updated_at": "2022-09-04T14:37:41.987985Z",
"structure_string": "Mg24 P16\n1.0\n9.841071 0.000000 -3.479344\n-4.920535 8.522617 -3.479344\n-0.000000 0.000000 10.438031\nMg P\n24 16\ndirect\n0.525932 0.766449 0.533262 Mg\n0.025932 0.492671 0.759484 Mg\n0.233187 0.266449 0.740516 Mg\n0.266813 0.007329 0.033262 Mg\n0.233551 0.466739 0.474068 Mg\n0.759484 0.025932 0.492671 Mg\n0.266448 0.740517 0.233187 Mg\n0.033261 0.266813 0.007329 Mg\n0.492671 0.759484 0.025933 Mg\n0.740516 0.233187 0.266449 Mg\n0.007329 0.033261 0.266813 Mg\n0.474068 0.233552 0.466739 Mg\n0.466738 0.474068 0.233552 Mg\n0.766813 0.733552 0.259484 Mg\n0.974068 0.507329 0.240517 Mg\n0.992670 0.966739 0.733188 Mg\n0.259483 0.766813 0.733552 Mg\n0.966738 0.733187 0.992671 Mg\n0.507329 0.240516 0.974068 Mg\n0.240516 0.974068 0.507330 Mg\n0.533261 0.525932 0.766449 Mg\n0.766448 0.533262 0.525933 Mg\n0.733187 0.992671 0.966739 Mg\n0.733551 0.259484 0.766813 Mg\n0.773558 0.023558 0.750000 P\n0.976442 0.250000 0.226443 P\n0.476442 0.250000 0.726443 P\n0.726442 0.476443 0.250000 P\n0.750000 0.773558 0.023558 P\n0.750000 0.273558 0.523558 P\n0.226442 0.976443 0.250000 P\n0.500000 0.000000 0.000000 P\n0.273557 0.523558 0.750000 P\n0.250000 0.226442 0.976442 P\n-0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.023557 0.750000 0.773558 P\n0.523557 0.750000 0.273558 P\n0.250000 0.726443 0.476443 P\n",
"nsites": 40,
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"elements": [
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"chemical_system": "Mg-P",
"density": 2.0464279012186046,
"density_atomic": 0.04569051696151216,
"volume": 875.4551854533486,
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"formula_full": "Mg24 P16",
"formula_reduced": "Mg3P2",
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"spacegroup": 206
},
{
"id": "jvasp-37203",
"created_at": "2022-09-04T14:38:07.334063Z",
"updated_at": "2022-09-04T14:38:07.334092Z",
"structure_string": "Mg3 P3\n1.0\n-4.586266 1.247521 -1.207418\n-1.212748 -4.595584 1.207418\n-0.614201 1.063827 4.741029\nMg P\n3 3\ndirect\n0.205809 0.166501 0.372707 Mg\n0.833171 0.539142 0.627293 Mg\n0.460864 0.794196 1.000000 Mg\n0.709809 0.290390 0.123417 P\n0.333296 0.666627 0.500001 P\n0.957055 0.043142 0.876583 P\n",
"nsites": 6,
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"Mg",
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"volume": 117.02912558809285,
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"formula_full": "Mg3 P3",
"formula_reduced": "MgP",
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},
{
"id": "jvasp-10204",
"created_at": "2022-09-04T14:38:15.130004Z",
"updated_at": "2022-09-04T14:38:15.130019Z",
"structure_string": "Mg6 P4\n1.0\n6.014290 0.000000 -0.000000\n-0.000000 6.014290 0.000000\n0.000000 -0.000000 6.014290\nMg P\n6 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.250000 0.250000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.250000 0.750000 0.750000 P\n",
"nsites": 10,
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},
{
"id": "jvasp-9150",
"created_at": "2022-09-04T14:37:07.101593Z",
"updated_at": "2022-09-04T14:37:07.101612Z",
"structure_string": "Mg2 P8\n1.0\n0.000000 5.177277 0.016382\n5.123506 0.000000 0.000000\n0.000000 -1.152457 -7.514633\nMg P\n2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.249894 0.294698 0.253453 P\n0.750107 0.794698 0.246547 P\n0.750106 0.705303 0.746547 P\n0.249893 0.205303 0.753453 P\n0.395410 0.888365 0.598242 P\n0.604589 0.388365 0.901757 P\n0.604590 0.111636 0.401758 P\n0.395411 0.611636 0.098242 P\n",
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"spacegroup": 14
},
{
"id": "jvasp-79096",
"created_at": "2022-09-04T14:37:12.131245Z",
"updated_at": "2022-09-04T14:37:12.131263Z",
"structure_string": "Mg3 Pa1\n1.0\n0.000089 3.613453 3.613487\n3.613571 0.000066 3.613510\n3.613546 3.613451 0.000090\nMg Pa\n3 1\ndirect\n-0.000000 0.999998 0.999997 Mg\n0.250000 0.249999 0.249998 Mg\n0.500002 0.500002 0.500005 Mg\n0.749999 0.750004 0.750002 Pa\n",
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},
{
"id": "jvasp-79046",
"created_at": "2022-09-04T14:36:42.873305Z",
"updated_at": "2022-09-04T14:36:42.873337Z",
"structure_string": "Mg1 Pa3\n1.0\n-2.305802 2.305802 4.594735\n2.305802 -2.305802 4.594735\n2.305802 2.305802 -4.594735\nMg Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.000000 Pa\n0.749998 0.250000 0.499999 Pa\n0.250000 0.749998 0.499999 Pa\n",
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}
]
}