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{
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{
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"updated_at": "2021-11-28T01:36:11.896000Z",
"spacegroup": 166
},
{
"id": "mp-1522630",
"created_at": "2022-09-04T14:43:03.906813Z",
"structure_string": "Sr2 Ce1 Ti1 O6\n1.0\n0.000000 -4.182348 -4.182348\n4.182348 0.000000 -4.182348\n4.182348 -4.182348 0.000000\nSr Ce Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.735534 0.264466 0.264466 O\n0.264466 0.735534 0.735534 O\n0.735534 0.264466 0.735534 O\n0.264466 0.735534 0.264466 O\n0.735534 0.735534 0.264466 O\n0.264466 0.264466 0.735534 O\n",
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"formula_full": "Sr2 Ce1 Ti1 O6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:01.900000Z",
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{
"id": "mp-1520912",
"created_at": "2022-09-04T14:43:51.880456Z",
"structure_string": "Sr2 Ce1 V1 O6\n1.0\n0.000000 -4.157783 -4.157783\n4.157783 0.000000 -4.157783\n4.157783 -4.157783 0.000000\nSr Ce V O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 V\n0.733943 0.266057 0.266057 O\n0.266057 0.733943 0.733943 O\n0.733943 0.266057 0.733943 O\n0.266057 0.733943 0.266057 O\n0.733943 0.733943 0.266057 O\n0.266057 0.266057 0.733943 O\n",
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"density": 5.340129723432433,
"density_atomic": 0.06956400004906717,
"volume": 143.75251556762797,
"volume_molar": 8.65697883352347,
"formula_full": "Sr2 Ce1 V1 O6",
"formula_reduced": "Sr2CeVO6",
"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:48:20.190478Z",
"structure_string": "Sr1 Ce1 V1 O4\n1.0\n-1.962551 1.962551 6.269544\n1.962551 -1.962551 6.269544\n1.962551 1.962551 -6.269544\nSr Ce V O\n1 1 1 4\ndirect\n0.644079 0.644079 0.000000 Sr\n0.357322 0.357322 0.000000 Ce\n0.001257 0.001257 0.000000 V\n0.992446 0.492446 0.500000 O\n0.492446 0.992446 0.500000 O\n0.833305 0.833305 0.000000 O\n0.179144 0.179144 0.000000 O\n",
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"formula_full": "Sr1 Ce1 V1 O4",
"formula_reduced": "SrCeVO4",
"formula_anonymous": "ABCD4",
"energy": -57.70324412,
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"updated_at": "2021-11-28T01:38:50.069000Z",
"spacegroup": 107
},
{
"id": "mp-1218593",
"created_at": "2022-09-04T14:45:27.246269Z",
"structure_string": "Sr1 Ce3 V4 O16\n1.0\n7.415598 0.000000 0.000000\n0.000000 7.415598 0.000000\n0.000000 0.000000 6.519584\nSr Ce V O\n1 3 4 16\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.748142 Ce\n0.500000 0.000000 0.251858 Ce\n0.500000 0.000000 0.752572 V\n0.000000 0.500000 0.247428 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.683151 0.000000 0.926137 O\n0.173035 0.500000 0.423576 O\n0.000000 0.819903 0.673340 O\n0.500000 0.311587 0.160993 O\n0.000000 0.180097 0.673340 O\n0.500000 0.688413 0.160993 O\n0.316849 0.000000 0.926137 O\n0.826965 0.500000 0.423576 O\n0.819903 0.000000 0.326660 O\n0.311587 0.500000 0.839007 O\n0.500000 0.173035 0.576424 O\n0.000000 0.683151 0.073863 O\n0.500000 0.826965 0.576424 O\n0.000000 0.316849 0.073863 O\n0.180097 0.000000 0.326660 O\n0.688413 0.500000 0.839007 O\n",
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},
{
"id": "mp-1519555",
"created_at": "2022-09-04T14:47:24.159451Z",
"structure_string": "Sr8 Ce4 Zr4 O24\n1.0\n8.533818 0.000000 0.000000\n0.000000 8.533818 0.000000\n0.000000 0.000000 8.533818\nSr Ce Zr O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.750000 0.250000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.250000 0.250000 Zr\n0.250000 0.750000 0.750000 Zr\n0.750000 0.250000 0.750000 Zr\n0.750000 0.750000 0.250000 Zr\n0.212983 0.294331 0.492568 O\n0.212983 0.705669 0.507432 O\n0.787017 0.294331 0.507432 O\n0.787017 0.705669 0.492568 O\n0.294331 0.492568 0.212983 O\n0.705669 0.507432 0.212983 O\n0.294331 0.507432 0.787017 O\n0.705669 0.492568 0.787017 O\n0.492568 0.212983 0.294331 O\n0.507432 0.212983 0.705669 O\n0.507432 0.787017 0.294331 O\n0.492568 0.787017 0.705669 O\n0.287017 0.205669 0.007432 O\n0.287017 0.794331 0.992568 O\n0.712983 0.205669 0.992568 O\n0.712983 0.794331 0.007432 O\n0.205669 0.007432 0.287017 O\n0.794331 0.992568 0.287017 O\n0.205669 0.992568 0.712983 O\n0.794331 0.007432 0.712983 O\n0.007432 0.287017 0.205669 O\n0.992568 0.287017 0.794331 O\n0.992568 0.712983 0.205669 O\n0.007432 0.712983 0.794331 O\n",
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"spacegroup": 201
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{
"id": "mp-1519666",
"created_at": "2022-09-04T14:47:22.545341Z",
"structure_string": "Sr2 Ce1 Zr1 O6\n1.0\n-0.000000 -4.313970 -4.313970\n4.313970 -0.000000 -4.313970\n4.313970 -4.313970 0.000000\nSr Ce Zr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Zr\n0.743338 0.256662 0.256662 O\n0.256662 0.743338 0.743338 O\n0.743338 0.256662 0.743338 O\n0.256662 0.743338 0.256662 O\n0.743338 0.743338 0.256662 O\n0.256662 0.256662 0.743338 O\n",
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"formula_full": "Sr2 Ce1 Zr1 O6",
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"spacegroup": 225
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{
"id": "mp-18086",
"created_at": "2022-09-04T14:40:37.851223Z",
"structure_string": "Sr4 Co4 As8 O28\n1.0\n5.609236 0.000000 -0.100581\n0.000000 8.502764 0.000000\n-0.028826 0.000000 13.339021\nSr Co As O\n4 4 8 28\ndirect\n0.791264 0.173669 0.779759 Sr\n0.708736 0.673669 0.720241 Sr\n0.208735 0.826331 0.220241 Sr\n0.291265 0.326331 0.279759 Sr\n0.331808 0.358009 0.607170 Co\n0.168192 0.858009 0.892830 Co\n0.668193 0.641992 0.392830 Co\n0.831808 0.141991 0.107170 Co\n0.676069 0.803890 0.015015 As\n0.823932 0.303890 0.484985 As\n0.176069 0.696110 0.515015 As\n0.323930 0.196110 0.984985 As\n0.745731 0.522579 0.164948 As\n0.254270 0.477420 0.835051 As\n0.754270 0.022580 0.335052 As\n0.245731 0.977420 0.664948 As\n0.693755 0.322882 0.598926 O\n0.806245 0.822882 0.901075 O\n0.306244 0.677117 0.401074 O\n0.193755 0.177117 0.098926 O\n0.622244 0.156412 0.974673 O\n0.877756 0.656412 0.525327 O\n0.377757 0.843588 0.025326 O\n0.122243 0.343588 0.474673 O\n0.969558 0.454346 0.793866 O\n0.530441 0.954347 0.706134 O\n0.030441 0.545654 0.206134 O\n0.469558 0.045654 0.293866 O\n0.276312 0.401100 0.960021 O\n0.223688 0.901100 0.539979 O\n0.723687 0.598899 0.039979 O\n0.776313 0.098900 0.460021 O\n0.653382 0.331998 0.154796 O\n0.846618 0.831998 0.345204 O\n0.346619 0.668001 0.845204 O\n0.153381 0.168001 0.654796 O\n0.665145 0.402550 0.392671 O\n0.834855 0.902550 0.107329 O\n0.460631 0.384483 0.763174 O\n0.165144 0.097450 0.892671 O\n0.960630 0.115517 0.263174 O\n0.539370 0.615517 0.236826 O\n0.039371 0.884483 0.736826 O\n0.334856 0.597450 0.607328 O\n",
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"formula_full": "Sr4 Co4 As8 O28",
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{
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"structure_string": "Sr2 Co4 As4 O16\n1.0\n5.568957 0.000000 0.000000\n-0.786343 7.238062 0.000000\n-1.545021 -3.417112 8.955072\nSr Co As O\n2 4 4 16\ndirect\n0.671033 0.779769 0.524614 Sr\n0.328967 0.220231 0.475386 Sr\n0.528489 0.645199 0.878861 Co\n0.135334 0.875564 0.063273 Co\n0.471511 0.354801 0.121139 Co\n0.864666 0.124436 0.936727 Co\n0.928925 0.416652 0.749520 As\n0.071075 0.583348 0.250480 As\n0.228898 0.870412 0.716022 As\n0.771102 0.129588 0.283978 As\n0.612903 0.262779 0.972343 O\n0.772074 0.537308 0.274794 O\n0.729802 0.433177 0.602571 O\n0.538114 0.835382 0.779487 O\n0.121911 0.818362 0.241533 O\n0.387097 0.737221 0.027657 O\n0.461886 0.164618 0.220513 O\n0.270198 0.566823 0.397429 O\n0.137288 0.406050 0.094699 O\n0.853513 0.000926 0.083932 O\n0.146487 0.999074 0.916068 O\n0.878089 0.181638 0.758467 O\n0.317683 0.022167 0.624405 O\n0.682317 0.977833 0.375595 O\n0.862712 0.593950 0.905301 O\n0.227926 0.462692 0.725206 O\n",
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"formula_full": "Sr2 Co4 As4 O16",
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{
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"created_at": "2022-09-04T14:42:52.996145Z",
"structure_string": "Sr2 Co4 As4 O16\n1.0\n5.782922 0.000000 0.000000\n-1.134330 6.940612 0.000000\n-1.930714 -3.721419 8.585883\nSr Co As O\n2 4 4 16\ndirect\n0.802827 0.759551 0.446397 Sr\n0.197173 0.240449 0.553603 Sr\n0.921912 0.199427 0.939834 Co\n0.078088 0.800573 0.060166 Co\n0.662073 0.749144 0.852674 Co\n0.337927 0.250856 0.147326 Co\n0.539928 0.224865 0.797632 As\n0.460072 0.775135 0.202368 As\n0.155485 0.682622 0.741067 As\n0.844515 0.317378 0.258933 As\n0.959287 0.682736 0.917530 O\n0.040713 0.317264 0.082470 O\n0.580709 0.360051 0.920178 O\n0.419291 0.639949 0.079822 O\n0.235228 0.073523 0.864329 O\n0.764772 0.926477 0.135671 O\n0.745055 0.066272 0.813987 O\n0.254945 0.933728 0.186013 O\n0.100543 0.437779 0.738359 O\n0.899457 0.562221 0.261641 O\n0.470025 0.777394 0.701596 O\n0.529975 0.222606 0.298404 O\n0.618406 0.369926 0.607678 O\n0.381594 0.630074 0.392322 O\n0.039363 0.838603 0.618543 O\n0.960637 0.161397 0.381457 O\n",
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"formula_full": "Sr2 Co4 As4 O16",
"formula_reduced": "SrCo2(AsO4)2",
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},
{
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"structure_string": "Sr2 Co4 As4 O16\n1.0\n5.631571 -0.001146 -1.140493\n-1.642822 6.539877 -2.557726\n0.014417 -0.147574 9.573629\nSr Co As O\n2 4 4 16\ndirect\n0.254570 0.203281 0.450997 Sr\n0.752741 0.797542 0.551359 Sr\n0.520295 0.618658 0.847451 Co\n0.478670 0.387081 0.160748 Co\n0.855785 0.140119 0.942512 Co\n0.139197 0.859206 0.056033 Co\n0.343063 0.022353 0.801141 As\n0.656751 0.979790 0.201320 As\n0.895507 0.420599 0.740649 As\n0.104040 0.577620 0.255098 As\n0.870188 0.599327 0.916491 O\n0.125753 0.396785 0.079329 O\n0.526190 0.260663 0.939749 O\n0.475213 0.738173 0.066234 O\n0.100028 0.939754 0.865017 O\n0.895981 0.058463 0.133155 O\n0.559382 0.873764 0.801288 O\n0.436786 0.124518 0.198318 O\n0.828202 0.178671 0.735605 O\n0.161429 0.820251 0.261036 O\n0.176741 0.471342 0.704707 O\n0.830035 0.524977 0.297993 O\n0.229592 0.990776 0.614492 O\n0.771569 0.014555 0.388427 O\n0.665532 0.457380 0.615089 O\n0.346760 0.544352 0.375763 O\n",
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"elements": [
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"As",
"O"
],
"chemical_system": "As-Co-O-Sr",
"density": 4.582476750081595,
"density_atomic": 0.07422589690949231,
"volume": 350.2820589922035,
"volume_molar": 8.11326101905259,
"formula_full": "Sr2 Co4 As4 O16",
"formula_reduced": "SrCo2(AsO4)2",
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"total_magnetization": 9.42e-05,
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"updated_at": "2021-11-28T01:37:25.209000Z",
"spacegroup": 1
}
]
}