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{
"id": "jvasp-11820",
"created_at": "2022-09-04T14:37:27.035298Z",
"updated_at": "2022-09-04T14:37:27.035323Z",
"structure_string": "Ba2 Ni2 O6\n1.0\n2.841944 -4.922392 0.000000\n2.841944 4.922392 0.000000\n0.000000 0.000000 4.834076\nBa Ni O\n2 2 6\ndirect\n0.666666 0.333332 0.259351 Ba\n0.333332 0.666666 0.759352 Ba\n0.000000 0.000000 0.509533 Ni\n0.000000 0.000000 0.009533 Ni\n0.851787 0.703575 0.759539 O\n0.703575 0.851787 0.259539 O\n0.148211 0.851787 0.259539 O\n0.851787 0.148211 0.759539 O\n0.148211 0.296423 0.259539 O\n0.296423 0.148211 0.759539 O\n",
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{
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"structure_string": "Li1 Al1 Au1\n1.0\n6.937697 -0.977478 0.000000\n-0.191638 2.875023 0.000000\n0.000000 0.000000 2.797902\nLi Al Au\n1 1 1\ndirect\n-0.219765 -0.239983 0.000000 Li\n0.432383 0.086070 0.000000 Al\n0.104538 0.422171 0.000000 Au\n",
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{
"id": "jvasp-118192",
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"structure_string": "Al1 As2\n1.0\n4.085122 0.000000 0.000000\n0.000000 2.809179 0.000000\n0.000000 0.000000 5.854099\nAl As\n1 2\ndirect\n0.466674 0.000000 0.000000 Al\n-0.033337 0.000000 0.721190 As\n-0.033337 0.000000 0.278811 As\n",
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{
"id": "jvasp-11818",
"created_at": "2022-09-04T14:37:27.020958Z",
"updated_at": "2022-09-04T14:37:27.020980Z",
"structure_string": "Mg6 Mn1 O8\n1.0\n5.153003 0.000000 2.975087\n1.717668 4.858298 2.975087\n0.000000 0.000000 5.950176\nMg Mn O\n6 1 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.500000 -0.000000 0.500001 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.229110 0.770890 0.770890 O\n0.229110 0.770890 0.229111 O\n0.770889 0.229110 0.770891 O\n0.229110 0.229110 0.770890 O\n0.770889 0.770890 0.229111 O\n0.770889 0.229110 0.229111 O\n0.750000 0.750000 0.750001 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 15,
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"spacegroup": 225
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{
"id": "jvasp-118179",
"created_at": "2022-09-04T14:38:52.558899Z",
"updated_at": "2022-09-04T14:38:52.558933Z",
"structure_string": "Al2 As1\n1.0\n5.025771 -0.048827 0.340629\n3.525529 -3.579607 0.312439\n0.252826 -0.077600 -3.740801\nAl As\n2 1\ndirect\n0.447384 0.376780 0.335778 Al\n0.171140 0.101281 0.335981 Al\n0.984534 -0.085602 -0.164053 As\n",
"nsites": 3,
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"volume": 66.98721089227296,
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{
"id": "jvasp-118170",
"created_at": "2022-09-04T14:38:50.831076Z",
"updated_at": "2022-09-04T14:38:50.831102Z",
"structure_string": "Al2 As1\n1.0\n3.876043 0.000000 0.000000\n0.000000 2.830966 0.000000\n0.000000 0.000000 6.199574\nAl As\n2 1\ndirect\n-0.033333 0.000000 0.716220 Al\n-0.033333 0.000000 0.283779 Al\n0.466665 0.000000 0.000000 As\n",
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{
"id": "jvasp-11817",
"created_at": "2022-09-04T14:37:27.119722Z",
"updated_at": "2022-09-04T14:37:27.119746Z",
"structure_string": "Co1 Pt3 O6\n1.0\n3.218086 0.000000 0.000000\n0.000000 5.787904 -2.014004\n0.000000 -0.015142 6.128280\nCo Pt O\n1 3 6\ndirect\n0.000000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Pt\n0.500002 0.500000 0.000000 Pt\n0.500002 0.000000 0.499999 Pt\n0.000000 0.911577 0.658322 O\n0.000000 0.088423 0.341680 O\n0.000000 0.658320 0.911578 O\n0.000000 0.341680 0.088424 O\n0.500002 0.355011 0.644988 O\n0.500002 0.644987 0.355012 O\n",
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"density": 10.777136151371526,
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"volume": 114.04703787836813,
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"formula_full": "Co1 Pt3 O6",
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{
"id": "jvasp-118169",
"created_at": "2022-09-04T14:38:49.350028Z",
"updated_at": "2022-09-04T14:38:49.350049Z",
"structure_string": "Al2 As1\n1.0\n4.810166 0.000000 1.156455\n0.000000 2.720014 0.000000\n1.445122 0.000000 4.733378\nAl As\n2 1\ndirect\n0.132843 0.000000 -0.200035 Al\n-0.199514 0.000000 0.466698 Al\n0.466671 0.000000 0.133336 As\n",
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"spacegroup": 191
},
{
"id": "jvasp-11816",
"created_at": "2022-09-04T14:37:28.055718Z",
"updated_at": "2022-09-04T14:37:28.055747Z",
"structure_string": "K3 Na1 Cr2 O8\n1.0\n2.918596 -5.055158 -0.000000\n2.918596 5.055158 0.000000\n0.000000 -0.000000 7.504009\nK Na Cr O\n3 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.666668 0.333334 0.159065 K\n0.333334 0.666668 0.840935 K\n0.000000 0.000000 0.000000 Na\n0.666668 0.333334 0.722048 Cr\n0.333334 0.666668 0.277953 Cr\n0.820870 0.179132 0.801147 O\n0.820870 0.641739 0.801147 O\n0.358263 0.179131 0.801147 O\n0.179131 0.358263 0.198853 O\n0.179132 0.820870 0.198853 O\n0.641739 0.820870 0.198853 O\n0.333334 0.666668 0.496736 O\n0.666668 0.333334 0.503265 O\n",
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"volume": 221.42775605521587,
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"formula_full": "K3 Na1 Cr2 O8",
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{
"id": "jvasp-11815",
"created_at": "2022-09-04T14:38:12.076132Z",
"updated_at": "2022-09-04T14:38:12.076159Z",
"structure_string": "Li6 V2 O8\n1.0\n4.955935 0.000000 0.000000\n0.000000 5.435342 0.000000\n0.000000 0.000000 6.307674\nLi V O\n6 2 8\ndirect\n0.009336 0.667396 0.247741 Li\n0.509336 0.332604 0.252258 Li\n0.509336 0.332604 0.747741 Li\n0.009336 0.667396 0.752258 Li\n0.009746 0.168146 0.500000 Li\n0.509745 0.831854 0.000000 Li\n0.001423 0.169532 0.000000 V\n0.501423 0.830467 0.500000 V\n0.111809 0.320802 0.226835 O\n0.651980 0.172095 0.000000 O\n0.111809 0.320802 0.773164 O\n0.611809 0.679197 0.273165 O\n0.611809 0.679197 0.726835 O\n0.610357 0.134034 0.500000 O\n0.110358 0.865965 0.000000 O\n0.151981 0.827905 0.500000 O\n",
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"volume": 169.91108651054972,
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"formula_full": "Li6 V2 O8",
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{
"id": "jvasp-118140",
"created_at": "2022-09-04T14:38:49.308650Z",
"updated_at": "2022-09-04T14:38:49.308682Z",
"structure_string": "Co1 P1 O4\n1.0\n-2.365411 2.365411 3.817272\n2.365411 -2.365411 3.817272\n2.365411 2.365411 -3.817272\nCo P O\n1 1 4\ndirect\n0.250000 0.749999 0.500000 Co\n0.000000 0.000000 0.000000 P\n0.274961 0.331841 0.379975 O\n0.668159 0.048135 -0.056880 O\n0.951864 0.894984 0.620024 O\n0.105014 0.725038 0.056880 O\n",
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"spacegroup": 82
},
{
"id": "jvasp-11814",
"created_at": "2022-09-04T14:37:31.601066Z",
"updated_at": "2022-09-04T14:37:31.601094Z",
"structure_string": "Sr3 Fe2 O5\n1.0\n3.505572 0.000013 -0.578967\n-0.117338 3.810434 -0.710638\n-0.060309 -0.010035 10.538284\nSr Fe O\n3 2 5\ndirect\n0.314660 0.314656 0.629286 Sr\n0.685339 0.685343 0.370713 Sr\n0.500000 0.499999 -0.000000 Sr\n0.094819 0.094825 0.189674 Fe\n0.905181 0.905174 0.810325 Fe\n0.190339 0.190348 0.380725 O\n0.809661 0.809651 0.619273 O\n0.094721 0.594727 0.189478 O\n0.905278 0.405273 0.810520 O\n0.000000 0.000001 0.999999 O\n",
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