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{
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"results": [
{
"id": "mp-1220935",
"created_at": "2022-09-04T14:44:26.412568Z",
"structure_string": "Na1 Ti2 P4 O14\n1.0\n4.914458 0.000000 0.000000\n-1.921175 6.821408 0.000000\n-0.537065 -0.274346 8.089104\nNa Ti P O\n1 2 4 14\ndirect\n0.935696 0.992792 0.008909 Na\n0.498100 0.497143 0.999706 Ti\n0.000201 0.999828 0.500818 Ti\n0.010229 0.625687 0.756318 P\n0.989401 0.375229 0.244391 P\n0.622360 0.236659 0.697931 P\n0.378580 0.764435 0.301625 P\n0.268209 0.555010 0.810404 O\n0.731221 0.445671 0.190537 O\n0.794741 0.453057 0.643552 O\n0.206764 0.547406 0.355721 O\n0.818670 0.101534 0.691599 O\n0.179674 0.897517 0.308419 O\n0.853253 0.668119 0.905023 O\n0.142949 0.330838 0.094618 O\n0.367348 0.180328 0.571862 O\n0.632406 0.821161 0.428609 O\n0.089472 0.801273 0.647102 O\n0.909983 0.198009 0.351956 O\n0.541891 0.256103 0.876477 O\n0.465152 0.745301 0.124224 O\n",
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},
{
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"structure_string": "Zr1 Ti4 Pb5 O15\n1.0\n2.787381 -13.952911 0.000000\n2.787381 13.952911 0.000000\n0.000000 0.000000 4.480422\nZr Ti Pb O\n1 4 5 15\ndirect\n0.500000 0.500000 0.535843 Zr\n0.102554 0.897446 0.529719 Ti\n0.897446 0.102554 0.529719 Ti\n0.299001 0.700999 0.529068 Ti\n0.700999 0.299001 0.529068 Ti\n0.603504 0.396496 0.978759 Pb\n0.000000 0.000000 0.978597 Pb\n0.396496 0.603504 0.978759 Pb\n0.799293 0.200707 0.977278 Pb\n0.200707 0.799293 0.977278 Pb\n0.402706 0.099197 0.629448 O\n0.597294 0.900803 0.629448 O\n0.000000 0.500000 0.626002 O\n0.812801 0.706526 0.628195 O\n0.187199 0.293474 0.628195 O\n0.500000 0.000000 0.626002 O\n0.706526 0.812801 0.628195 O\n0.099197 0.402706 0.629448 O\n0.900803 0.597294 0.629448 O\n0.293474 0.187199 0.628195 O\n0.700276 0.299724 0.135481 O\n0.896674 0.103326 0.136297 O\n0.299724 0.700276 0.135481 O\n0.103326 0.896674 0.136297 O\n0.500000 0.500000 0.091283 O\n",
"nsites": 25,
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"elements": [
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],
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"density": 7.426716057754098,
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"volume": 348.5058528988649,
"volume_molar": 8.395005207363274,
"formula_full": "Zr1 Ti4 Pb5 O15",
"formula_reduced": "ZrTi4(PbO3)5",
"formula_anonymous": "AB4C5D15",
"energy": -201.41651119,
"energy_per_atom": -8.0566604476,
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"updated_at": "2021-11-28T01:37:05.154000Z",
"spacegroup": 35
},
{
"id": "mp-1516843",
"created_at": "2022-09-04T14:39:47.174807Z",
"structure_string": "Sr1 Tb1 Eu1 Sb1 O6\n1.0\n-0.000000 -4.208861 -4.208861\n4.208861 -0.000000 -4.208861\n4.208861 -4.208861 0.000000\nSr Tb Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Sb\n0.763230 0.236770 0.236770 O\n0.236770 0.763230 0.763230 O\n0.763230 0.236770 0.763230 O\n0.236770 0.763230 0.236770 O\n0.763230 0.763230 0.236770 O\n0.236770 0.236770 0.763230 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.862674239005242,
"density_atomic": 0.06706196194027905,
"volume": 149.11582826797311,
"volume_molar": 8.97996507373721,
"formula_full": "Sr1 Tb1 Eu1 Sb1 O6",
"formula_reduced": "SrTbEuSbO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:34:40.889000Z",
"spacegroup": 216
},
{
"id": "mp-1218597",
"created_at": "2022-09-04T14:43:07.463525Z",
"structure_string": "Sr4 Y2 Mn4 O14\n1.0\n5.530498 0.000003 -0.000003\n0.000007 2.765502 -9.679434\n0.000003 5.667999 0.038023\nSr Y Mn O\n4 2 4 14\ndirect\n0.249997 0.999523 0.253068 Sr\n0.749999 0.000471 0.746926 Sr\n0.249998 0.369366 0.078448 Sr\n0.749999 0.630655 0.921573 Sr\n0.750000 0.358640 0.542402 Y\n0.250001 0.641335 0.457567 Y\n0.750005 0.196551 0.149015 Mn\n0.250004 0.201120 0.652052 Mn\n0.250005 0.803453 0.851046 Mn\n0.750001 0.798927 0.347972 Mn\n0.249998 0.609317 0.876778 O\n0.749997 0.390674 0.123194 O\n0.750004 0.589430 0.491665 O\n0.250007 0.410569 0.508365 O\n0.749999 0.997840 0.199047 O\n0.249999 0.002131 0.800956 O\n0.991706 0.227166 0.868198 O\n0.508289 0.227165 0.868195 O\n0.008315 0.772830 0.131793 O\n0.491680 0.772830 0.131791 O\n0.500728 0.185761 0.418283 O\n0.999270 0.185763 0.418277 O\n0.499294 0.814242 0.581696 O\n0.000703 0.814243 0.581694 O\n",
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"density": 5.309524848409321,
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"volume": 304.001381431495,
"volume_molar": 7.628079625895472,
"formula_full": "Sr4 Y2 Mn4 O14",
"formula_reduced": "Sr2YMn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -193.36566633,
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"spacegroup": 11
},
{
"id": "mp-38972",
"created_at": "2022-09-04T14:44:41.759884Z",
"structure_string": "Ba3 Re2 O9\n1.0\n7.226799 -2.888866 0.000000\n7.226799 2.888866 0.000000\n6.071993 0.000000 4.868579\nBa Re O\n3 2 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.211165 0.211165 0.211165 Ba\n0.788835 0.788835 0.788835 Ba\n0.391293 0.391293 0.391293 Re\n0.608707 0.608707 0.608707 Re\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.279379 0.753317 0.279379 O\n0.753317 0.279379 0.279379 O\n0.279379 0.279379 0.753317 O\n0.720621 0.720621 0.246683 O\n0.246683 0.720621 0.720621 O\n0.720621 0.246683 0.720621 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ba-O-Re",
"density": 7.583571289621311,
"density_atomic": 0.06886878881401434,
"volume": 203.28512002451671,
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"formula_full": "Ba3 Re2 O9",
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"formula_anonymous": "A2B3C9",
"energy": -112.79702646000004,
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"spacegroup": 166
},
{
"id": "mp-14835",
"created_at": "2022-09-04T14:41:09.734280Z",
"structure_string": "Nd16 Si8 S12 O28\n1.0\n-6.019106 6.019106 7.110165\n6.019106 -6.019106 7.110165\n6.019106 6.019106 -7.110165\nNd Si S O\n16 8 12 28\ndirect\n0.421477 0.921477 0.842954 Nd\n0.671477 0.328523 0.000000 Nd\n0.328523 0.671477 0.000000 Nd\n0.078523 0.578523 0.157046 Nd\n0.328523 0.328523 0.657046 Nd\n0.078523 0.921477 0.500000 Nd\n0.421477 0.578523 0.500000 Nd\n0.671477 0.671477 0.342954 Nd\n0.031890 0.795139 0.763248 Nd\n0.031890 0.268642 0.236752 Nd\n0.204861 0.968110 0.236752 Nd\n0.018642 0.281890 0.736752 Nd\n0.545139 0.281890 0.263248 Nd\n0.718110 0.981358 0.263248 Nd\n0.718110 0.454861 0.736752 Nd\n0.731358 0.968110 0.763248 Nd\n0.277505 0.401747 0.124242 Si\n0.277505 0.153263 0.875758 Si\n0.598253 0.722495 0.875758 Si\n0.903263 0.527505 0.375758 Si\n0.151747 0.527505 0.624242 Si\n0.472495 0.096737 0.624242 Si\n0.472495 0.848253 0.375758 Si\n0.846737 0.722495 0.124242 Si\n0.500000 0.500000 0.000000 S\n0.250000 0.750000 0.500000 S\n0.750000 0.250000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.875000 0.976434 0.601434 S\n0.726434 0.625000 0.601434 S\n0.023566 0.125000 0.398566 S\n0.375000 0.273566 0.398566 S\n0.875000 0.273566 0.898566 S\n0.023566 0.625000 0.898566 S\n0.726434 0.125000 0.101434 S\n0.375000 0.976434 0.101434 S\n0.771451 0.771451 0.000000 O\n0.521451 0.021451 0.500000 O\n0.978549 0.478549 0.500000 O\n0.228549 0.228549 0.000000 O\n0.200347 0.972980 0.772633 O\n0.200347 0.427713 0.227367 O\n0.027020 0.799653 0.227367 O\n0.177713 0.450347 0.727367 O\n0.722980 0.450347 0.272633 O\n0.549653 0.822287 0.272633 O\n0.549653 0.277020 0.727367 O\n0.572287 0.799653 0.772633 O\n0.299079 0.059163 0.521319 O\n0.537844 0.777759 0.478681 O\n0.940837 0.700921 0.478681 O\n0.527759 0.549079 0.739915 O\n0.809163 0.787844 0.260085 O\n0.450921 0.472241 0.260085 O\n0.212156 0.190837 0.739915 O\n0.222241 0.462156 0.521319 O\n0.450921 0.190837 0.978681 O\n0.212156 0.472241 0.021319 O\n0.809163 0.549079 0.021319 O\n0.222241 0.700921 0.760085 O\n0.940837 0.462156 0.239915 O\n0.299079 0.777759 0.239915 O\n0.537844 0.059163 0.760085 O\n0.527759 0.787844 0.978681 O\n",
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"formula_full": "Nd16 Si8 S12 O28",
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{
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"created_at": "2022-09-04T14:41:45.341860Z",
"structure_string": "Ba1 Mn2 P2 O9\n1.0\n2.543474 4.574302 0.000000\n-2.543474 4.574302 0.000000\n0.000000 1.051039 8.333065\nBa Mn P O\n1 2 2 9\ndirect\n0.893979 0.106021 0.000000 Ba\n0.281702 0.429712 0.631502 Mn\n0.570288 0.718298 0.368498 Mn\n0.220289 0.444764 0.261530 P\n0.555236 0.779711 0.738470 P\n0.610052 0.389948 0.500000 O\n0.064693 0.532983 0.433965 O\n0.467017 0.935307 0.566035 O\n0.356597 0.645050 0.200690 O\n0.354950 0.643403 0.799310 O\n0.955986 0.525637 0.160717 O\n0.474363 0.044014 0.839283 O\n0.889975 0.523125 0.752300 O\n0.476875 0.110025 0.247700 O\n",
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"formula_full": "Ba1 Mn2 P2 O9",
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{
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"created_at": "2022-09-04T14:42:08.370341Z",
"structure_string": "V3 Ni1 O8\n1.0\n5.392429 0.000000 0.000000\n0.013414 5.651705 0.000000\n0.091960 0.136154 7.096578\nV Ni O\n3 1 8\ndirect\n0.008464 0.923821 0.877986 V\n0.500020 0.576505 0.371817 V\n0.997459 0.427555 0.628668 V\n0.497528 0.085575 0.124363 Ni\n0.315826 0.946824 0.919166 O\n0.435570 0.866401 0.333664 O\n0.924547 0.622951 0.819264 O\n0.822630 0.534693 0.429110 O\n0.323521 0.462975 0.571060 O\n0.437750 0.418483 0.177329 O\n0.939645 0.117957 0.679899 O\n0.845440 0.016260 0.067678 O\n",
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"formula_full": "V3 Ni1 O8",
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{
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"structure_string": "V2 Fe2 Co2 O8\n1.0\n-3.023973 3.027919 4.291486\n3.023973 -3.027919 4.291486\n3.023973 3.027919 -4.291486\nV Fe Co O\n2 2 2 8\ndirect\n0.877322 0.127322 0.750000 V\n0.122678 0.872678 0.250000 V\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.271209 0.261430 0.009779 O\n0.751651 0.261430 0.490221 O\n0.747347 0.267317 0.019970 O\n0.747347 0.727377 0.480030 O\n0.728791 0.738570 0.990221 O\n0.248349 0.738570 0.509779 O\n0.252653 0.732683 0.980030 O\n0.252653 0.272623 0.519970 O\n",
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{
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