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{
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"results": [
{
"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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"formula_full": "Zn16 Si8 O32",
"formula_reduced": "Zn2SiO4",
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"updated_at": "2021-11-28T01:36:21.745000Z",
"spacegroup": 61
},
{
"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",
"nsites": 20,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Si-Zn",
"density": 3.4577114196668006,
"density_atomic": 0.07358268265390663,
"volume": 271.8030829899101,
"volume_molar": 8.184182123836,
"formula_full": "Zn4 Si4 O12",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
"energy": -139.24517337,
"energy_per_atom": -6.9622586685000005,
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"energy_uncorrected": -131.00117337,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.057000Z",
"spacegroup": 72
},
{
"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",
"nsites": 40,
"nelements": 3,
"elements": [
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"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.108569777960076,
"density_atomic": 0.0874334348475503,
"volume": 457.4908908673707,
"volume_molar": 6.887686353052762,
"formula_full": "Zn8 Si8 O24",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
"energy": -277.67122544,
"energy_per_atom": -6.941780636,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:35:54.696000Z",
"spacegroup": 14
},
{
"id": "mp-558096",
"created_at": "2022-09-04T14:43:12.380989Z",
"structure_string": "Zn4 Si2 O8\n1.0\n0.000000 4.126853 4.126853\n4.126853 0.000000 4.126853\n4.126853 4.126853 0.000000\nZn Si O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.625000 Zn\n0.125000 0.625000 0.625000 Zn\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.898179 0.367274 0.367274 O\n0.367274 0.898179 0.367274 O\n0.882726 0.882726 0.351821 O\n0.367274 0.367274 0.367274 O\n0.351821 0.882726 0.882726 O\n0.367274 0.367274 0.898179 O\n0.882726 0.351821 0.882726 O\n0.882726 0.882726 0.882726 O\n",
"nsites": 14,
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"elements": [
"Zn",
"Si",
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],
"chemical_system": "O-Si-Zn",
"density": 5.266284422734016,
"density_atomic": 0.09959580397226196,
"volume": 140.56817096329766,
"volume_molar": 6.0465807994051675,
"formula_full": "Zn4 Si2 O8",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy": -87.70954117,
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"updated_at": "2021-11-28T01:35:58.598000Z",
"spacegroup": 227
},
{
"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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],
"chemical_system": "O-Si-Zn",
"density": 4.264646541316124,
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"volume": 347.1668575130117,
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"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
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"energy": -176.36859578,
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"updated_at": "2021-11-28T01:36:32.681000Z",
"spacegroup": 14
},
{
"id": "mp-1105595",
"created_at": "2022-09-04T14:44:10.965799Z",
"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",
"nsites": 16,
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"density": 3.516061088575354,
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"formula_full": "Zn4 Si2 O10",
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},
{
"id": "mp-1020717",
"created_at": "2022-09-04T14:46:36.114374Z",
"structure_string": "Zn8 Si4 O16\n1.0\n-2.908899 4.260562 5.819938\n2.908899 -4.260562 5.819938\n2.908899 4.260562 -5.819938\nZn Si O\n8 4 16\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.781729 0.750000 0.031729 Zn\n0.218271 0.250000 0.968271 Zn\n0.375472 0.375472 0.500000 Zn\n0.624528 0.124528 0.000000 Zn\n0.375472 0.875472 0.000000 Zn\n0.624528 0.624528 0.500000 Zn\n0.003720 0.620750 0.382970 Si\n0.996280 0.379250 0.617030 Si\n0.737780 0.120750 0.617030 Si\n0.262220 0.879250 0.382970 Si\n0.537613 0.750000 0.787613 O\n0.462387 0.250000 0.212387 O\n0.036239 0.750000 0.286239 O\n0.963761 0.250000 0.713761 O\n0.244208 0.987333 0.256875 O\n0.755792 0.012667 0.743125 O\n0.230459 0.487333 0.743125 O\n0.769541 0.512667 0.256875 O\n0.631562 0.358572 0.744097 O\n0.368438 0.112534 0.727010 O\n0.114475 0.858572 0.727010 O\n0.885525 0.612534 0.744097 O\n0.368438 0.641428 0.255903 O\n0.631562 0.887466 0.272990 O\n0.885525 0.141428 0.272990 O\n0.114475 0.387466 0.255903 O\n",
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"elements": [
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],
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"density": 5.131536461944891,
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"volume": 288.51864332097443,
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"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
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"energy": -176.04842003,
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"updated_at": "2021-11-28T01:37:37.927000Z",
"spacegroup": 74
},
{
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