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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=1734",
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"results": [
{
"id": "mp-1218931",
"created_at": "2022-09-04T14:41:25.131290Z",
"structure_string": "Sn4 Pt4 S4\n1.0\n0.000000 6.207776 0.000000\n0.000000 0.000000 6.207776\n6.207776 0.000000 0.000000\nSn Pt S\n4 4 4\ndirect\n0.117766 0.617766 0.882234 Sn\n0.617766 0.882234 0.117766 Sn\n0.882234 0.117766 0.617766 Sn\n0.382234 0.382234 0.382234 Sn\n0.488877 0.988877 0.511123 Pt\n0.988877 0.511123 0.488877 Pt\n0.511123 0.488877 0.988877 Pt\n0.011123 0.011123 0.011123 Pt\n0.879766 0.379766 0.120234 S\n0.379766 0.120234 0.879766 S\n0.120234 0.879766 0.379766 S\n0.620234 0.620234 0.620234 S\n",
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{
"id": "mp-1199262",
"created_at": "2022-09-04T14:41:27.057065Z",
"structure_string": "Sr32 Ga32\n1.0\n12.591354 0.000000 0.000000\n0.000000 12.591354 0.000000\n0.000000 0.000000 12.591354\nSr Ga\n32 32\ndirect\n0.507855 0.798345 0.939899 Sr\n0.060101 0.007855 0.701655 Sr\n0.298345 0.560101 0.492145 Sr\n0.007855 0.701655 0.060101 Sr\n0.560101 0.492145 0.298345 Sr\n0.798345 0.939899 0.507855 Sr\n0.492145 0.298345 0.560101 Sr\n0.939899 0.507855 0.798345 Sr\n0.701655 0.060101 0.007855 Sr\n0.992145 0.201655 0.439899 Sr\n0.439899 0.992145 0.201655 Sr\n0.201655 0.439899 0.992145 Sr\n0.436516 0.519576 0.791232 Sr\n0.208768 0.936516 0.980424 Sr\n0.019576 0.708768 0.563484 Sr\n0.936516 0.980424 0.208768 Sr\n0.708768 0.563484 0.019576 Sr\n0.519576 0.791232 0.436516 Sr\n0.563484 0.019576 0.708768 Sr\n0.791232 0.436516 0.519576 Sr\n0.980424 0.208768 0.936516 Sr\n0.063484 0.480424 0.291232 Sr\n0.291232 0.063484 0.480424 Sr\n0.480424 0.291232 0.063484 Sr\n0.313472 0.813472 0.686528 Sr\n0.813472 0.686528 0.313472 Sr\n0.686528 0.313472 0.813472 Sr\n0.186528 0.186528 0.186528 Sr\n0.694215 0.194215 0.305785 Sr\n0.194215 0.305785 0.694215 Sr\n0.305785 0.694215 0.194215 Sr\n0.805785 0.805785 0.805785 Sr\n0.073643 0.753244 0.309890 Ga\n0.690110 0.573643 0.746756 Ga\n0.253244 0.190110 0.926357 Ga\n0.573643 0.746756 0.690110 Ga\n0.190110 0.926357 0.253244 Ga\n0.753244 0.309890 0.073643 Ga\n0.926357 0.253244 0.190110 Ga\n0.309890 0.073643 0.753244 Ga\n0.746756 0.690110 0.573643 Ga\n0.426357 0.246756 0.809890 Ga\n0.809890 0.426357 0.246756 Ga\n0.246756 0.809890 0.426357 Ga\n0.081121 0.763359 0.818172 Ga\n0.181828 0.581121 0.736641 Ga\n0.263359 0.681828 0.918879 Ga\n0.581121 0.736641 0.181828 Ga\n0.681828 0.918879 0.263359 Ga\n0.763359 0.818172 0.081121 Ga\n0.918879 0.263359 0.681828 Ga\n0.818172 0.081121 0.763359 Ga\n0.736641 0.181828 0.581121 Ga\n0.418879 0.236641 0.318172 Ga\n0.318172 0.418879 0.236641 Ga\n0.236641 0.318172 0.418879 Ga\n0.934063 0.434063 0.065937 Ga\n0.434063 0.065937 0.934063 Ga\n0.065937 0.934063 0.434063 Ga\n0.565937 0.565937 0.565937 Ga\n0.552589 0.052589 0.447411 Ga\n0.052589 0.447411 0.552589 Ga\n0.447411 0.552589 0.052589 Ga\n0.947411 0.947411 0.947411 Ga\n",
"nsites": 64,
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"elements": [
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"chemical_system": "Ga-Sr",
"density": 4.188217238169371,
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"volume": 1996.260908149028,
"volume_molar": 18.78400653524825,
"formula_full": "Sr32 Ga32",
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"energy": -175.91717167,
"energy_per_atom": -2.74870580734375,
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"updated_at": "2021-11-28T01:35:22.716000Z",
"spacegroup": 198
},
{
"id": "mp-733551",
"created_at": "2022-09-04T14:41:28.353287Z",
"structure_string": "Cd8 S12 N8 O48\n1.0\n10.590621 0.000000 0.000000\n0.000000 10.590621 0.000000\n0.000000 0.000000 10.590621\nCd S N O\n8 12 8 48\ndirect\n0.918894 0.418894 0.081106 Cd\n0.418894 0.081106 0.918894 Cd\n0.081106 0.918894 0.418894 Cd\n0.581106 0.581106 0.581106 Cd\n0.661187 0.161187 0.338813 Cd\n0.161187 0.338813 0.661187 Cd\n0.338813 0.661187 0.161187 Cd\n0.838813 0.838813 0.838813 Cd\n0.239458 0.375153 0.975311 S\n0.024689 0.739458 0.124847 S\n0.875153 0.524689 0.760542 S\n0.739458 0.124847 0.024689 S\n0.524689 0.760542 0.875153 S\n0.375153 0.975311 0.239458 S\n0.760542 0.875153 0.524689 S\n0.975311 0.239458 0.375153 S\n0.124847 0.024689 0.739458 S\n0.260542 0.624847 0.475311 S\n0.475311 0.260542 0.624847 S\n0.624847 0.475311 0.260542 S\n0.434919 0.934919 0.565081 N\n0.934919 0.565081 0.434919 N\n0.565081 0.434919 0.934919 N\n0.065081 0.065081 0.065081 N\n0.198911 0.698911 0.801089 N\n0.698911 0.801089 0.198911 N\n0.801089 0.198911 0.698911 N\n0.301089 0.301089 0.301089 N\n0.105135 0.342898 0.000232 O\n0.999768 0.605135 0.157102 O\n0.842898 0.499768 0.894865 O\n0.605135 0.157102 0.999768 O\n0.499768 0.894865 0.842898 O\n0.342898 0.000232 0.105135 O\n0.894865 0.842898 0.499768 O\n0.000232 0.105135 0.342898 O\n0.157102 0.999768 0.605135 O\n0.394865 0.657102 0.500232 O\n0.500232 0.394865 0.657102 O\n0.657102 0.500232 0.394865 O\n0.315885 0.259545 0.994589 O\n0.005411 0.815885 0.240455 O\n0.759545 0.505411 0.684115 O\n0.815885 0.240455 0.005411 O\n0.505411 0.684115 0.759545 O\n0.259545 0.994589 0.315885 O\n0.684115 0.759545 0.505411 O\n0.994589 0.315885 0.259545 O\n0.240455 0.005411 0.815885 O\n0.184115 0.740455 0.494589 O\n0.494589 0.184115 0.740455 O\n0.740455 0.494589 0.184115 O\n0.252744 0.418521 0.841606 O\n0.158394 0.752744 0.081479 O\n0.918521 0.658394 0.747256 O\n0.752744 0.081479 0.158394 O\n0.658394 0.747256 0.918521 O\n0.418521 0.841606 0.252744 O\n0.747256 0.918521 0.658394 O\n0.841606 0.252744 0.418521 O\n0.081479 0.158394 0.752744 O\n0.247256 0.581479 0.341606 O\n0.341606 0.247256 0.581479 O\n0.581479 0.341606 0.247256 O\n0.284310 0.474249 0.061806 O\n0.938194 0.784310 0.025751 O\n0.974249 0.438194 0.715690 O\n0.784310 0.025751 0.938194 O\n0.438194 0.715690 0.974249 O\n0.474249 0.061806 0.284310 O\n0.715690 0.974249 0.438194 O\n0.061806 0.284310 0.474249 O\n0.025751 0.938194 0.784310 O\n0.215690 0.525751 0.561806 O\n0.561806 0.215690 0.525751 O\n0.525751 0.561806 0.215690 O\n",
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"density": 3.025246019093337,
"density_atomic": 0.06398074795520914,
"volume": 1187.8573231623543,
"volume_molar": 9.412426319579613,
"formula_full": "Cd8 S12 N8 O48",
"formula_reduced": "Cd2S3(NO6)2",
"formula_anonymous": "A2B2C3D12",
"energy": -429.48244209,
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"updated_at": "2021-11-28T01:35:20.952000Z",
"spacegroup": 198
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{
"id": "mp-1217437",
"created_at": "2022-09-04T14:41:29.719943Z",
"structure_string": "Te4 Pt4 Pb4\n1.0\n6.742692 0.000000 0.000000\n0.000000 6.742692 0.000000\n0.000000 0.000000 6.742692\nTe Pt Pb\n4 4 4\ndirect\n0.869530 0.130470 0.630470 Te\n0.130470 0.630470 0.869530 Te\n0.630470 0.869530 0.130470 Te\n0.369530 0.369530 0.369530 Te\n0.491386 0.508614 0.008614 Pt\n0.508614 0.008614 0.491386 Pt\n0.008614 0.491386 0.508614 Pt\n0.991386 0.991386 0.991386 Pt\n0.129938 0.870062 0.370062 Pb\n0.870062 0.370062 0.129938 Pb\n0.370062 0.129938 0.870062 Pb\n0.629938 0.629938 0.629938 Pb\n",
"nsites": 12,
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"density": 11.48126996867173,
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"volume": 306.5490438486986,
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"formula_full": "Te4 Pt4 Pb4",
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{
"id": "mp-1102232",
"created_at": "2022-09-04T14:41:30.736394Z",
"structure_string": "H4 C4 N4\n1.0\n4.027221 0.000000 0.000000\n0.000000 4.027221 0.000000\n0.000000 0.000000 4.027221\nH C N\n4 4 4\ndirect\n0.082260 0.582260 0.917740 H\n0.582260 0.917740 0.082260 H\n0.917740 0.082260 0.582260 H\n0.417740 0.417740 0.417740 H\n0.925209 0.425209 0.074791 C\n0.425209 0.074791 0.925209 C\n0.074791 0.925209 0.425209 C\n0.574791 0.574791 0.574791 C\n0.388173 0.888173 0.611827 N\n0.888173 0.611827 0.388173 N\n0.611827 0.388173 0.888173 N\n0.111827 0.111827 0.111827 N\n",
"nsites": 12,
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"formula_full": "H4 C4 N4",
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"updated_at": "2021-11-28T01:35:25.302000Z",
"spacegroup": 198
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{
"id": "mp-1226036",
"created_at": "2022-09-04T14:41:32.228224Z",
"structure_string": "Co4 As4 Se4\n1.0\n5.772296 0.000000 0.000000\n0.000000 5.772296 0.000000\n0.000000 0.000000 5.772296\nCo As Se\n4 4 4\ndirect\n0.501754 0.498246 0.998246 Co\n0.498246 0.998246 0.501754 Co\n0.998246 0.501754 0.498246 Co\n0.001754 0.001754 0.001754 Co\n0.123954 0.876046 0.376046 As\n0.876046 0.376046 0.123954 As\n0.376046 0.123954 0.876046 As\n0.623954 0.623954 0.623954 As\n0.876871 0.123129 0.623129 Se\n0.123129 0.623129 0.876871 Se\n0.623129 0.876871 0.123129 Se\n0.376871 0.376871 0.376871 Se\n",
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{
"id": "mp-765442",
"created_at": "2022-09-04T14:41:32.431770Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n7.267913 0.000006 -0.000019\n0.000006 7.267846 0.000011\n-0.000019 0.000011 7.267922\nLi Mn P O\n4 4 4 16\ndirect\n0.202613 0.702614 0.797387 Li\n0.297390 0.297391 0.297390 Li\n0.702611 0.797390 0.202613 Li\n0.797389 0.202613 0.702613 Li\n0.256394 0.743599 0.243578 Mn\n0.243598 0.256399 0.743598 Mn\n0.756383 0.756373 0.756395 Mn\n0.743601 0.243585 0.256406 Mn\n0.028806 0.028809 0.028807 P\n0.971194 0.528812 0.471190 P\n0.471193 0.971192 0.528809 P\n0.528810 0.471194 0.971196 P\n0.978803 0.602808 0.674055 O\n0.149036 0.149036 0.149035 O\n0.174059 0.521205 0.397195 O\n0.102801 0.825941 0.021195 O\n0.397197 0.174061 0.521201 O\n0.325946 0.478805 0.897195 O\n0.350968 0.850966 0.649040 O\n0.521205 0.397194 0.174060 O\n0.478797 0.897192 0.325944 O\n0.649040 0.350969 0.850968 O\n0.674058 0.978800 0.602805 O\n0.602805 0.674061 0.978808 O\n0.897200 0.325945 0.478801 O\n0.825944 0.021199 0.102806 O\n0.850964 0.649042 0.350965 O\n0.021195 0.102807 0.825944 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
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{
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{
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{
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}