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{
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"results": [
{
"id": "mp-557794",
"created_at": "2022-09-04T14:44:08.398455Z",
"structure_string": "Yb12 Si4 O4\n1.0\n6.574347 0.000000 0.000000\n0.000000 6.589533 0.000000\n0.000000 0.000000 9.305230\nYb Si O\n12 4 4\ndirect\n0.765319 0.234691 0.016011 Yb\n0.234681 0.765309 0.516011 Yb\n0.998914 0.531394 0.250000 Yb\n0.265319 0.265309 0.016011 Yb\n0.234681 0.765309 0.983989 Yb\n0.265319 0.265309 0.483989 Yb\n0.001086 0.468606 0.750000 Yb\n0.498914 0.968606 0.250000 Yb\n0.501086 0.031394 0.750000 Yb\n0.765319 0.234691 0.483989 Yb\n0.734681 0.734691 0.516011 Yb\n0.734681 0.734691 0.983989 Yb\n0.506248 0.498993 0.250000 Si\n0.993752 0.998993 0.750000 Si\n0.493752 0.501007 0.750000 Si\n0.006248 0.001007 0.250000 Si\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "mp-1215859",
"created_at": "2022-09-04T14:42:55.316053Z",
"structure_string": "Yb3 Y1 Si4 O14\n1.0\n4.862561 0.000000 0.000000\n0.704725 5.707092 0.000000\n2.097361 2.214696 10.884769\nYb Y Si O\n3 1 4 14\ndirect\n0.998490 0.960871 0.346561 Yb\n0.998150 0.039694 0.653285 Yb\n0.000825 0.539893 0.153405 Yb\n0.000640 0.461056 0.846257 Y\n0.399373 0.891097 0.890777 Si\n0.406791 0.391679 0.391968 Si\n0.596327 0.609192 0.610110 Si\n0.600574 0.108525 0.107094 Si\n0.495655 0.997281 0.001140 O\n0.504602 0.496209 0.501282 O\n0.219610 0.107909 0.811504 O\n0.219480 0.599091 0.311467 O\n0.217284 0.661846 0.952551 O\n0.221012 0.166347 0.455032 O\n0.781672 0.401720 0.692755 O\n0.780662 0.899825 0.189781 O\n0.774336 0.837642 0.544736 O\n0.784154 0.334153 0.039656 O\n0.705994 0.810691 0.814479 O\n0.706998 0.313615 0.311610 O\n0.290189 0.683973 0.688440 O\n0.297179 0.187691 0.186110 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.07283221666451763,
"volume": 302.0641277655627,
"volume_molar": 8.268512254322014,
"formula_full": "Yb3 Y1 Si4 O14",
"formula_reduced": "Yb3Y(Si2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -173.43108503,
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"updated_at": "2021-11-28T01:35:59.258000Z",
"spacegroup": 1
},
{
"id": "mp-1020609",
"created_at": "2022-09-04T14:48:08.596871Z",
"structure_string": "Zn8 Si4 O16\n1.0\n4.849697 0.000000 0.000000\n0.000000 6.099106 0.000000\n0.000000 0.000000 10.437847\nZn Si O\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.485002 0.750000 0.779961 Zn\n0.014998 0.750000 0.279961 Zn\n0.514998 0.250000 0.220039 Zn\n0.985002 0.250000 0.720039 Zn\n0.926001 0.750000 0.596060 Si\n0.573999 0.750000 0.096060 Si\n0.073999 0.250000 0.403940 Si\n0.426001 0.250000 0.903940 Si\n0.263886 0.750000 0.593675 O\n0.236114 0.750000 0.093675 O\n0.736114 0.250000 0.406325 O\n0.763886 0.250000 0.906325 O\n0.716133 0.750000 0.948985 O\n0.783867 0.750000 0.448985 O\n0.283867 0.250000 0.051015 O\n0.216133 0.250000 0.551015 O\n0.779833 0.966264 0.664394 O\n0.720167 0.533736 0.164394 O\n0.220167 0.466264 0.335606 O\n0.279833 0.033736 0.835606 O\n0.220167 0.033736 0.335606 O\n0.279833 0.466264 0.835606 O\n0.779833 0.533736 0.664394 O\n0.720167 0.966264 0.164394 O\n",
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"elements": [
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],
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"density": 4.79545242822357,
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"volume": 308.73915658900745,
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"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy": -177.13223832999998,
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"updated_at": "2021-11-28T01:38:33.081000Z",
"spacegroup": 62
},
{
"id": "mp-562182",
"created_at": "2022-09-04T14:41:46.607512Z",
"structure_string": "Zn4 Si4 O12\n1.0\n4.721505 5.013459 0.000000\n-4.721505 5.013459 0.000000\n0.000000 2.068381 4.958823\nZn Si O\n4 4 12\ndirect\n0.116005 0.883995 0.750000 Zn\n0.768526 0.231474 0.750000 Zn\n0.231474 0.768526 0.250000 Zn\n0.883995 0.116005 0.250000 Zn\n0.384907 0.217483 0.232630 Si\n0.615093 0.782517 0.767370 Si\n0.217483 0.384907 0.732630 Si\n0.782517 0.615093 0.267370 Si\n0.328200 0.375608 0.970177 O\n0.375608 0.328200 0.470177 O\n0.624392 0.671800 0.529823 O\n0.855391 0.384281 0.374267 O\n0.384281 0.855391 0.874267 O\n0.965715 0.788431 0.141102 O\n0.788431 0.965715 0.641102 O\n0.671800 0.624392 0.029823 O\n0.144609 0.615719 0.625733 O\n0.615719 0.144609 0.125733 O\n0.034285 0.211569 0.858898 O\n0.211569 0.034285 0.358898 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "O-Si-Zn",
"density": 4.003285823759669,
"density_atomic": 0.08519291363273376,
"volume": 234.7613099162203,
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"formula_full": "Zn4 Si4 O12",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
"energy": -139.0077828,
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"updated_at": "2021-11-28T01:35:26.555000Z",
"spacegroup": 15
},
{
"id": "mp-1020721",
"created_at": "2022-09-04T14:44:15.955437Z",
"structure_string": "Zn8 Si4 O16\n1.0\n8.090057 0.000000 0.000000\n0.000000 5.550753 0.000000\n0.000000 4.701174 7.730984\nZn Si O\n8 4 16\ndirect\n0.881214 0.243238 0.902451 Zn\n0.618786 0.243238 0.402451 Zn\n0.118786 0.756762 0.097549 Zn\n0.381214 0.756762 0.597549 Zn\n0.491688 0.859413 0.190635 Zn\n0.008312 0.859413 0.690635 Zn\n0.508312 0.140587 0.809365 Zn\n0.991688 0.140587 0.309365 Zn\n0.238108 0.364989 0.959696 Si\n0.261892 0.364989 0.459696 Si\n0.761892 0.635011 0.040304 Si\n0.738108 0.635011 0.540304 Si\n0.427247 0.234305 0.995228 O\n0.072753 0.234305 0.495228 O\n0.572753 0.765695 0.004772 O\n0.927247 0.765695 0.504772 O\n0.234900 0.693173 0.791191 O\n0.265100 0.693173 0.291191 O\n0.765100 0.306827 0.208809 O\n0.734900 0.306827 0.708809 O\n0.124575 0.163952 0.915267 O\n0.375425 0.163952 0.415267 O\n0.875425 0.836048 0.084733 O\n0.624575 0.836048 0.584733 O\n0.147327 0.379849 0.119290 O\n0.352673 0.379849 0.619290 O\n0.852673 0.620151 0.880710 O\n0.647327 0.620151 0.380710 O\n",
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"elements": [
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],
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"density": 4.264646541316124,
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"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
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"updated_at": "2021-11-28T01:36:32.681000Z",
"spacegroup": 14
},
{
"id": "mp-1178612",
"created_at": "2022-09-04T14:43:24.826910Z",
"structure_string": "Zn4 Si4 O12\n1.0\n-2.761920 4.738859 5.191699\n2.761920 -4.738859 5.191699\n2.761920 4.738859 -5.191699\nZn Si O\n4 4 12\ndirect\n0.290828 0.540828 0.250000 Zn\n0.709172 0.959172 0.250000 Zn\n0.709172 0.459172 0.750000 Zn\n0.290828 0.040828 0.750000 Zn\n0.138684 0.419071 0.719614 Si\n0.861316 0.580929 0.280386 Si\n0.699457 0.919071 0.780386 Si\n0.300543 0.080929 0.219614 Si\n0.187101 0.250000 0.437101 O\n0.812899 0.250000 0.062899 O\n0.812899 0.750000 0.562899 O\n0.187101 0.750000 0.937101 O\n0.318942 0.205156 0.113786 O\n0.681058 0.794844 0.886214 O\n0.091370 0.705156 0.386214 O\n0.908630 0.294844 0.613786 O\n0.508090 0.121599 0.386491 O\n0.491910 0.878401 0.613509 O\n0.735108 0.621599 0.113509 O\n0.264892 0.378401 0.886491 O\n",
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},
{
"id": "mp-1189355",
"created_at": "2022-09-04T14:41:26.199188Z",
"structure_string": "Zn4 Si2 O10\n1.0\n0.000000 0.000000 -5.195103\n-3.862852 5.652015 -2.597552\n3.862852 5.652015 -2.597552\nZn Si O\n4 2 10\ndirect\n0.184246 0.623202 0.065663 Zn\n0.873111 0.376798 0.934337 Zn\n0.184246 0.065663 0.623202 Zn\n0.873111 0.934337 0.376798 Zn\n0.652253 0.862852 0.862852 Si\n0.377958 0.137148 0.137148 Si\n0.592784 0.626893 0.974863 O\n0.194540 0.373107 0.025137 O\n0.592784 0.974863 0.626893 O\n0.194540 0.025137 0.373107 O\n0.972182 0.857755 0.857755 O\n0.687693 0.142245 0.142245 O\n0.005316 0.654974 0.345026 O\n0.005316 0.345026 0.654974 O\n0.407026 0.000000 0.000000 O\n0.169892 0.500000 0.500000 O\n",
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"formula_full": "Zn4 Si2 O10",
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},
{
"id": "mp-641917",
"created_at": "2022-09-04T14:42:42.895235Z",
"structure_string": "Zn8 Si8 O24\n1.0\n9.312416 0.000000 0.000000\n0.000000 5.299315 0.000000\n0.000000 1.720063 9.270440\nZn Si O\n8 8 24\ndirect\n0.995181 0.970299 0.255192 Zn\n0.495181 0.529701 0.744808 Zn\n0.645999 0.977038 0.250152 Zn\n0.854001 0.477038 0.250152 Zn\n0.354001 0.022962 0.749848 Zn\n0.504819 0.470299 0.255192 Zn\n0.004819 0.029701 0.744808 Zn\n0.145999 0.522962 0.749848 Zn\n0.837096 0.252583 0.953733 Si\n0.833142 0.687101 0.555691 Si\n0.337096 0.247417 0.046267 Si\n0.166858 0.312899 0.444309 Si\n0.666858 0.187101 0.555691 Si\n0.162904 0.747417 0.046267 Si\n0.333142 0.812899 0.444309 Si\n0.662904 0.752583 0.953733 Si\n0.663527 0.697158 0.132015 O\n0.296089 0.123911 0.397761 O\n0.840276 0.748434 0.377342 O\n0.506461 0.778380 0.875754 O\n0.659724 0.248434 0.377342 O\n0.006461 0.721620 0.124246 O\n0.163527 0.802842 0.867985 O\n0.261290 0.492008 0.103233 O\n0.738710 0.507992 0.896767 O\n0.493539 0.221620 0.124246 O\n0.021895 0.246824 0.362123 O\n0.796089 0.376089 0.602239 O\n0.703911 0.876089 0.602239 O\n0.978105 0.753176 0.637877 O\n0.761290 0.007992 0.896767 O\n0.340276 0.751566 0.622658 O\n0.478105 0.746824 0.362123 O\n0.159724 0.251566 0.622658 O\n0.836473 0.197158 0.132015 O\n0.238710 0.992008 0.103233 O\n0.521895 0.253176 0.637877 O\n0.993539 0.278380 0.875754 O\n0.336473 0.302842 0.867985 O\n0.203911 0.623911 0.397761 O\n",
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"formula_full": "Zn8 Si8 O24",
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},
{
"id": "mp-1020594",
"created_at": "2022-09-04T14:48:00.083959Z",
"structure_string": "Zn8 Si4 O16\n1.0\n5.142864 0.000000 0.000000\n0.000000 6.743913 0.000000\n0.000000 0.000000 10.435498\nZn Si O\n8 4 16\ndirect\n0.674034 0.999367 0.655626 Zn\n0.825966 0.500633 0.155626 Zn\n0.325966 0.499367 0.344374 Zn\n0.174034 0.000633 0.844374 Zn\n0.325966 0.000633 0.344374 Zn\n0.174034 0.499367 0.844374 Zn\n0.674034 0.500633 0.655626 Zn\n0.825966 0.999367 0.155626 Zn\n0.176534 0.250000 0.593018 Si\n0.323466 0.250000 0.093018 Si\n0.823466 0.750000 0.406982 Si\n0.676534 0.750000 0.906982 Si\n0.857779 0.250000 0.612045 O\n0.642221 0.250000 0.112045 O\n0.142221 0.750000 0.387955 O\n0.357779 0.750000 0.887955 O\n0.235940 0.250000 0.941418 O\n0.264060 0.250000 0.441418 O\n0.764060 0.750000 0.058582 O\n0.735940 0.750000 0.558582 O\n0.294214 0.050631 0.663964 O\n0.205786 0.449369 0.163964 O\n0.705786 0.550631 0.336036 O\n0.794214 0.949369 0.836036 O\n0.705786 0.949369 0.336036 O\n0.794214 0.550631 0.836036 O\n0.294214 0.449369 0.663964 O\n0.205786 0.050631 0.163964 O\n",
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"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
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"energy": -179.18405183,
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"spacegroup": 62
},
{
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"elements": [
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],
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"density": 4.09570354478328,
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"volume": 917.856103283554,
"volume_molar": 6.909323314248327,
"formula_full": "Zn16 Si16 O48",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:37:43.284000Z",
"spacegroup": 61
},
{
"id": "mp-1020636",
"created_at": "2022-09-04T14:44:00.025308Z",
"structure_string": "Zn16 Si8 O32\n1.0\n6.188389 0.000000 0.000000\n0.000000 9.840289 0.000000\n0.000000 0.000000 11.035856\nZn Si O\n16 8 32\ndirect\n0.846136 0.418829 0.062801 Zn\n0.153864 0.081171 0.562801 Zn\n0.653864 0.918829 0.937199 Zn\n0.346136 0.581171 0.437199 Zn\n0.153864 0.581171 0.937199 Zn\n0.846136 0.918829 0.437199 Zn\n0.346136 0.081171 0.062801 Zn\n0.653864 0.418829 0.562801 Zn\n0.558591 0.684052 0.160478 Zn\n0.441409 0.815948 0.660478 Zn\n0.941409 0.184052 0.839522 Zn\n0.058591 0.315948 0.339522 Zn\n0.441409 0.315948 0.839522 Zn\n0.558591 0.184052 0.339522 Zn\n0.058591 0.815948 0.160478 Zn\n0.941409 0.684052 0.660478 Zn\n0.137191 0.880023 0.876348 Si\n0.862809 0.619977 0.376348 Si\n0.362809 0.380023 0.123652 Si\n0.637191 0.119977 0.623652 Si\n0.862809 0.119977 0.123652 Si\n0.137191 0.380023 0.623652 Si\n0.637191 0.619977 0.876348 Si\n0.362809 0.880023 0.376348 Si\n0.166159 0.785965 0.751784 O\n0.833841 0.714035 0.251784 O\n0.333841 0.285965 0.248216 O\n0.666159 0.214035 0.748216 O\n0.833841 0.214035 0.248216 O\n0.166159 0.285965 0.748216 O\n0.666159 0.714035 0.751784 O\n0.333841 0.785965 0.251784 O\n0.350756 0.975785 0.900552 O\n0.649244 0.524215 0.400552 O\n0.149244 0.475785 0.099448 O\n0.850756 0.024215 0.599448 O\n0.649244 0.024215 0.099448 O\n0.350756 0.475785 0.599448 O\n0.850756 0.524215 0.900552 O\n0.149244 0.975785 0.400552 O\n0.098285 0.769857 0.987462 O\n0.901715 0.730143 0.487462 O\n0.401715 0.269857 0.012538 O\n0.598285 0.230143 0.512538 O\n0.901715 0.230143 0.012538 O\n0.098285 0.269857 0.512538 O\n0.598285 0.730143 0.987462 O\n0.401715 0.769857 0.487462 O\n0.925535 0.981074 0.866087 O\n0.074465 0.518926 0.366087 O\n0.574465 0.481074 0.133913 O\n0.425535 0.018926 0.633913 O\n0.074465 0.018926 0.133913 O\n0.925535 0.481074 0.633913 O\n0.425535 0.518926 0.866087 O\n0.574465 0.981074 0.366087 O\n",
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{
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"structure_string": "Zn4 Si2 O10\n1.0\n-2.570310 3.863868 5.680309\n2.570310 -3.863868 5.680309\n2.570310 3.863868 -5.680309\nZn Si O\n4 2 10\ndirect\n0.881204 0.636013 0.206184 Zn\n0.118796 0.324980 0.754809 Zn\n0.429829 0.636013 0.754809 Zn\n0.570171 0.324980 0.206184 Zn\n0.636051 0.108097 0.472046 Si\n0.363949 0.835995 0.472046 Si\n0.871748 0.046379 0.524380 O\n0.128252 0.652632 0.174631 O\n0.521999 0.046379 0.174631 O\n0.478001 0.652632 0.524380 O\n0.645124 0.433800 0.788676 O\n0.354876 0.143551 0.788676 O\n0.845818 0.448601 0.294419 O\n0.154182 0.448601 0.602783 O\n0.500000 0.864666 0.364666 O\n0.000000 0.283075 0.283075 O\n",
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"volume": 225.65228719675667,
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"formula_full": "Zn4 Si2 O10",
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"updated_at": "2021-11-28T01:36:31.276000Z",
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}
]
}