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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10119",
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"results": [
{
"id": "mp-1220007",
"created_at": "2022-09-04T14:41:51.371376Z",
"structure_string": "Pr4 Si4 Pb2 S16\n1.0\n4.561005 7.853193 0.000000\n-4.561005 7.853193 0.000000\n0.000000 4.979303 8.996036\nPr Si Pb S\n4 4 2 16\ndirect\n0.061243 0.251953 0.748178 Pr\n0.440046 0.557024 0.753231 Pr\n0.251953 0.061243 0.248178 Pr\n0.557024 0.440046 0.253231 Pr\n0.652419 0.169507 0.021221 Si\n0.169507 0.652419 0.521221 Si\n0.332912 0.845998 0.978017 Si\n0.845998 0.332912 0.478017 Si\n0.749913 0.929298 0.749520 Pb\n0.929298 0.749913 0.249520 Pb\n0.884922 0.975957 0.926833 S\n0.712846 0.397434 0.946270 S\n0.438543 0.225683 0.947494 S\n0.397434 0.712846 0.446270 S\n0.975957 0.884922 0.426833 S\n0.225683 0.438543 0.447494 S\n0.111099 0.066773 0.045747 S\n0.281028 0.613317 0.064828 S\n0.533857 0.790320 0.068916 S\n0.613317 0.281028 0.564828 S\n0.066773 0.111099 0.545747 S\n0.790320 0.533857 0.568916 S\n0.567730 0.097695 0.258150 S\n0.097695 0.567730 0.758150 S\n0.400527 0.911956 0.741595 S\n0.911956 0.400527 0.241595 S\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Pb",
"S"
],
"chemical_system": "Pb-Pr-S-Si",
"density": 4.131486994863277,
"density_atomic": 0.040344593913888956,
"volume": 644.4481770096411,
"volume_molar": 14.926760132605596,
"formula_full": "Pr4 Si4 Pb2 S16",
"formula_reduced": "Pr2Si2PbS8",
"formula_anonymous": "AB2C2D8",
"energy": -154.44061871,
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"band_gap": 2.4126000000000003,
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"updated_at": "2021-11-28T01:35:33.212000Z",
"spacegroup": 9
},
{
"id": "mp-1220047",
"created_at": "2022-09-04T14:40:19.534892Z",
"structure_string": "Pr4 Si4 Pb2 Se16\n1.0\n4.747060 8.165245 0.000000\n-4.747060 8.165245 0.000000\n0.000000 5.154254 9.421802\nPr Si Pb Se\n4 4 2 16\ndirect\n0.246704 0.440028 0.252449 Pr\n0.944824 0.057813 0.244691 Pr\n0.440028 0.246704 0.752449 Pr\n0.057813 0.944824 0.744691 Pr\n0.329036 0.848905 0.978950 Si\n0.848905 0.329036 0.478950 Si\n0.651958 0.168619 0.022108 Si\n0.168619 0.651958 0.522108 Si\n0.574332 0.750038 0.250175 Pb\n0.750038 0.574332 0.750175 Pb\n0.405402 0.931965 0.735662 Se\n0.931965 0.405402 0.235662 Se\n0.585114 0.097652 0.264719 Se\n0.097652 0.585114 0.764719 Se\n0.528064 0.608652 0.076935 Se\n0.092379 0.789183 0.057137 Se\n0.273175 0.071383 0.051372 Se\n0.789183 0.092379 0.557137 Se\n0.608652 0.528064 0.576935 Se\n0.071383 0.273175 0.551372 Se\n0.424663 0.397876 0.953583 Se\n0.892543 0.221572 0.931459 Se\n0.709097 0.959022 0.930759 Se\n0.221572 0.892543 0.431459 Se\n0.397876 0.424663 0.453583 Se\n0.959022 0.709097 0.430759 Se\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Pb",
"Se"
],
"chemical_system": "Pb-Pr-Se-Si",
"density": 5.351164597185186,
"density_atomic": 0.03559716713691999,
"volume": 730.3951997077266,
"volume_molar": 16.91747193487785,
"formula_full": "Pr4 Si4 Pb2 Se16",
"formula_reduced": "Pr2Si2PbSe8",
"formula_anonymous": "AB2C2D8",
"energy": -138.74843267,
"energy_per_atom": -5.336478179615384,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -131.19643267,
"band_gap": 1.8305,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.918000Z",
"spacegroup": 9
},
{
"id": "mp-1205551",
"created_at": "2022-09-04T14:41:00.682720Z",
"structure_string": "Pr2 Si2 Ru4 C2\n1.0\n1.976922 -5.582924 0.000000\n1.976922 5.582924 0.000000\n0.000000 0.000000 7.253217\nPr Si Ru C\n2 2 4 2\ndirect\n0.549838 0.450162 0.250000 Pr\n0.450162 0.549838 0.750000 Pr\n0.271270 0.728730 0.250000 Si\n0.728730 0.271270 0.750000 Si\n0.835315 0.164685 0.059305 Ru\n0.164685 0.835315 0.940695 Ru\n0.164685 0.835315 0.559305 Ru\n0.835315 0.164685 0.440695 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Ru",
"C"
],
"chemical_system": "C-Pr-Ru-Si",
"density": 7.947472526610267,
"density_atomic": 0.06245800142429474,
"volume": 160.10758865092708,
"volume_molar": 9.641904356000614,
"formula_full": "Pr2 Si2 Ru4 C2",
"formula_reduced": "PrSiRu2C",
"formula_anonymous": "ABCD2",
"energy": -81.33190052,
"energy_per_atom": -8.133190052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -81.47390052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.508000Z",
"spacegroup": 63
},
{
"id": "mp-560468",
"created_at": "2022-09-04T14:41:47.482032Z",
"structure_string": "Pr6 Si4 S16 Br2\n1.0\n3.903988 7.944106 0.000000\n-3.903988 7.944106 0.000000\n0.000000 1.455116 10.908652\nPr Si S Br\n6 4 16 2\ndirect\n0.318119 0.074239 0.316079 Pr\n0.925761 0.681881 0.183921 Pr\n0.610226 0.389774 0.250000 Pr\n0.074239 0.318119 0.816079 Pr\n0.681881 0.925761 0.683921 Pr\n0.389774 0.610226 0.750000 Pr\n0.305874 0.374486 0.529698 Si\n0.694126 0.625514 0.470302 Si\n0.374486 0.305874 0.029698 Si\n0.625514 0.694126 0.970302 Si\n0.722288 0.411060 0.952701 S\n0.711582 0.854478 0.414707 S\n0.106688 0.601995 0.644808 S\n0.554455 0.742401 0.160314 S\n0.893312 0.398005 0.355192 S\n0.588940 0.277712 0.547299 S\n0.445545 0.257599 0.839686 S\n0.411060 0.722288 0.452701 S\n0.398005 0.893312 0.855192 S\n0.277712 0.588940 0.047299 S\n0.257599 0.445545 0.339686 S\n0.145522 0.288418 0.085293 S\n0.601995 0.106688 0.144808 S\n0.742401 0.554455 0.660314 S\n0.288418 0.145522 0.585293 S\n0.854478 0.711582 0.914707 S\n0.004577 0.995423 0.250000 Br\n0.995423 0.004577 0.750000 Br\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"Br"
],
"chemical_system": "Br-Pr-S-Si",
"density": 4.0017643355390575,
"density_atomic": 0.041381234615782886,
"volume": 676.6352009546072,
"volume_molar": 14.552830083284038,
"formula_full": "Pr6 Si4 S16 Br2",
"formula_reduced": "Pr3Si2S8Br",
"formula_anonymous": "AB2C3D8",
"energy": -170.75627966000002,
"energy_per_atom": -6.098438559285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.64027966,
"band_gap": 2.6881,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001921,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.907000Z",
"spacegroup": 15
},
{
"id": "mp-703875",
"created_at": "2022-09-04T14:41:25.590392Z",
"structure_string": "Pr6 Si4 S16 Br2\n1.0\n3.903988 7.944106 0.000000\n-3.903988 7.944106 0.000000\n0.000000 1.455116 10.908652\nPr Si S Br\n6 4 16 2\ndirect\n0.074251 0.314155 0.313192 Pr\n0.682389 0.931123 0.183174 Pr\n0.392609 0.604227 0.247916 Pr\n0.323507 0.074694 0.815834 Pr\n0.931806 0.680595 0.681955 Pr\n0.605685 0.388195 0.749985 Pr\n0.379023 0.298899 0.530891 Si\n0.631991 0.690269 0.468131 Si\n0.305975 0.371584 0.026030 Si\n0.693638 0.623655 0.966333 Si\n0.410005 0.717879 0.955207 S\n0.859435 0.707230 0.417740 S\n0.599547 0.102826 0.645482 S\n0.741460 0.560591 0.160542 S\n0.394035 0.891136 0.356726 S\n0.270915 0.593329 0.546141 S\n0.258957 0.450150 0.840172 S\n0.720229 0.412765 0.448400 S\n0.895063 0.391766 0.857135 S\n0.590524 0.274860 0.051584 S\n0.444322 0.252823 0.341050 S\n0.293752 0.140169 0.087799 S\n0.107464 0.607073 0.143374 S\n0.553851 0.748429 0.659574 S\n0.139057 0.289997 0.586284 S\n0.705208 0.860723 0.913947 S\n0.988824 0.006619 0.251218 Br\n0.999112 0.000707 0.752484 Br\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"Br"
],
"chemical_system": "Br-Pr-S-Si",
"density": 4.0017643355390575,
"density_atomic": 0.041381234615782886,
"volume": 676.6352009546072,
"volume_molar": 14.552830083284038,
"formula_full": "Pr6 Si4 S16 Br2",
"formula_reduced": "Pr3Si2S8Br",
"formula_anonymous": "AB2C3D8",
"energy": -170.44887728999998,
"energy_per_atom": -6.0874599032142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -161.33287729,
"band_gap": 2.6796,
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"is_magnetic": false,
"total_magnetization": 0.0005264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.672000Z",
"spacegroup": 1
},
{
"id": "mp-556179",
"created_at": "2022-09-04T14:43:56.361302Z",
"structure_string": "Pr6 Si4 S16 Cl2\n1.0\n3.869322 7.910434 0.000000\n-3.869322 7.910434 0.000000\n0.000000 1.474172 10.952331\nPr Si S Cl\n6 4 16 2\ndirect\n0.926956 0.681872 0.185504 Pr\n0.621970 0.378030 0.250000 Pr\n0.681872 0.926956 0.685504 Pr\n0.318128 0.073044 0.314496 Pr\n0.378030 0.621970 0.750000 Pr\n0.073044 0.318128 0.814496 Pr\n0.627451 0.692124 0.970767 Si\n0.307876 0.372549 0.529233 Si\n0.372549 0.307876 0.029233 Si\n0.692124 0.627451 0.470767 Si\n0.591578 0.276653 0.548965 S\n0.103789 0.603714 0.642081 S\n0.143392 0.288947 0.085419 S\n0.557859 0.736975 0.160558 S\n0.396286 0.896211 0.857919 S\n0.856608 0.711053 0.914581 S\n0.723348 0.408422 0.951035 S\n0.442141 0.263025 0.839442 S\n0.288947 0.143392 0.585419 S\n0.263025 0.442141 0.339442 S\n0.603714 0.103789 0.142081 S\n0.711053 0.856608 0.414581 S\n0.896211 0.396286 0.357919 S\n0.736975 0.557859 0.660558 S\n0.276653 0.591578 0.048965 S\n0.408422 0.723348 0.451035 S\n0.993247 0.006753 0.250000 Cl\n0.006753 0.993247 0.750000 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"Cl"
],
"chemical_system": "Cl-Pr-S-Si",
"density": 3.818447106710663,
"density_atomic": 0.04176248100511019,
"volume": 670.4582516678986,
"volume_molar": 14.419978447312822,
"formula_full": "Pr6 Si4 S16 Cl2",
"formula_reduced": "Pr3Si2S8Cl",
"formula_anonymous": "AB2C3D8",
"energy": -171.99197381000002,
"energy_per_atom": -6.142570493214286,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -162.71597381,
"band_gap": 2.7409000000000003,
"is_gap_direct": false,
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"total_magnetization": 0.0029446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.519000Z",
"spacegroup": 15
},
{
"id": "mp-558259",
"created_at": "2022-09-04T14:40:28.258379Z",
"structure_string": "Pr6 Si4 S16 I2\n1.0\n3.957365 8.050777 0.000000\n-3.957365 8.050777 0.000000\n0.000000 1.533045 10.828040\nPr Si S I\n6 4 16 2\ndirect\n0.923759 0.678530 0.181389 Pr\n0.597859 0.402141 0.250000 Pr\n0.076241 0.321470 0.818611 Pr\n0.321470 0.076241 0.318611 Pr\n0.678530 0.923759 0.681389 Pr\n0.402141 0.597859 0.750000 Pr\n0.696677 0.622748 0.470596 Si\n0.377252 0.303323 0.029404 Si\n0.303323 0.377252 0.529404 Si\n0.622748 0.696677 0.970596 Si\n0.149569 0.287835 0.085827 S\n0.721961 0.415083 0.957257 S\n0.712165 0.850431 0.414173 S\n0.550723 0.748491 0.161314 S\n0.110523 0.599502 0.647406 S\n0.400498 0.889477 0.852594 S\n0.278039 0.584917 0.042743 S\n0.850431 0.712165 0.914173 S\n0.748491 0.550723 0.661314 S\n0.251509 0.449277 0.338686 S\n0.889477 0.400498 0.352594 S\n0.415083 0.721961 0.457257 S\n0.449277 0.251509 0.838686 S\n0.599502 0.110523 0.147406 S\n0.584917 0.278039 0.542743 S\n0.287835 0.149569 0.585827 S\n0.986616 0.013384 0.750000 I\n0.013384 0.986616 0.250000 I\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"I"
],
"chemical_system": "I-Pr-S-Si",
"density": 4.150715851246244,
"density_atomic": 0.04058207775203128,
"volume": 689.9597445721837,
"volume_molar": 14.839409644811916,
"formula_full": "Pr6 Si4 S16 I2",
"formula_reduced": "Pr3Si2S8I",
"formula_anonymous": "AB2C3D8",
"energy": -169.12502631,
"energy_per_atom": -6.040179511071429,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -160.31902631,
"band_gap": 2.5715,
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"total_magnetization": 0.0001709,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.675000Z",
"spacegroup": 15
},
{
"id": "mp-16159",
"created_at": "2022-09-04T14:47:09.623806Z",
"structure_string": "Pr16 Si8 S12 O28\n1.0\n-6.054098 6.054098 7.166619\n6.054098 -6.054098 7.166619\n6.054098 6.054098 -7.166619\nPr Si S O\n16 8 12 28\ndirect\n0.421323 0.921323 0.842647 Pr\n0.671323 0.328677 0.000000 Pr\n0.328677 0.671323 0.000000 Pr\n0.078677 0.578677 0.157353 Pr\n0.328677 0.328677 0.657353 Pr\n0.078677 0.921323 0.500000 Pr\n0.421323 0.578677 0.500000 Pr\n0.671323 0.671323 0.342647 Pr\n0.031674 0.794683 0.763009 Pr\n0.031674 0.268666 0.236991 Pr\n0.205317 0.968326 0.236991 Pr\n0.018666 0.281674 0.736991 Pr\n0.544683 0.281674 0.263009 Pr\n0.718326 0.981334 0.263009 Pr\n0.718326 0.455317 0.736991 Pr\n0.731334 0.968326 0.763009 Pr\n0.277282 0.401299 0.124017 Si\n0.277282 0.153265 0.875983 Si\n0.598701 0.722718 0.875983 Si\n0.903265 0.527282 0.375983 Si\n0.151299 0.527282 0.624017 Si\n0.472718 0.096735 0.624017 Si\n0.472718 0.848701 0.375983 Si\n0.846735 0.722718 0.124017 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 0.975974 0.600974 S\n0.725974 0.625000 0.600974 S\n0.024026 0.125000 0.399026 S\n0.375000 0.274026 0.399026 S\n0.875000 0.274026 0.899026 S\n0.024026 0.625000 0.899026 S\n0.725974 0.125000 0.100974 S\n0.375000 0.975974 0.100974 S\n0.770763 0.770763 0.000000 O\n0.520763 0.020763 0.500000 O\n0.979237 0.479237 0.500000 O\n0.229237 0.229237 0.000000 O\n0.200300 0.974143 0.773843 O\n0.200300 0.426457 0.226157 O\n0.025857 0.799700 0.226157 O\n0.176457 0.450300 0.726157 O\n0.724143 0.450300 0.273843 O\n0.549700 0.823543 0.273843 O\n0.549700 0.275857 0.726157 O\n0.573543 0.799700 0.773843 O\n0.300269 0.059358 0.522034 O\n0.537323 0.778234 0.477966 O\n0.940642 0.699731 0.477966 O\n0.528234 0.550269 0.740911 O\n0.809358 0.787323 0.259089 O\n0.449731 0.471766 0.259089 O\n0.212677 0.190642 0.740911 O\n0.221766 0.462677 0.522034 O\n0.449731 0.190642 0.977966 O\n0.212677 0.471766 0.022034 O\n0.809358 0.550269 0.022034 O\n0.221766 0.699731 0.759089 O\n0.940642 0.462677 0.240911 O\n0.300269 0.778234 0.240911 O\n0.537323 0.059358 0.759089 O\n0.528234 0.787323 0.977966 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"O"
],
"chemical_system": "O-Pr-S-Si",
"density": 5.234343720488872,
"density_atomic": 0.06091254882416679,
"volume": 1050.6866193490869,
"volume_molar": 9.886535494326159,
"formula_full": "Pr16 Si8 S12 O28",
"formula_reduced": "Pr4Si2S3O7",
"formula_anonymous": "A2B3C4D7",
"energy": -515.36748773,
"energy_per_atom": -8.05261699578125,
"energy_above_hull": null,
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"energy_uncorrected": -490.09548773,
"band_gap": 2.5915,
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"is_magnetic": false,
"total_magnetization": 0.0036306,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.617000Z",
"spacegroup": 141
},
{
"id": "mp-568883",
"created_at": "2022-09-04T14:47:20.134134Z",
"structure_string": "Pr18 Si6 Se12 N18\n1.0\n6.539808 -9.569501 0.000000\n6.539808 9.569501 0.000000\n-7.462950 0.000000 8.868416\nPr Si Se N\n18 6 12 18\ndirect\n0.129574 0.968437 0.249214 Pr\n0.342929 0.714451 0.397690 Pr\n0.870426 0.031563 0.750786 Pr\n0.285549 0.602310 0.657071 Pr\n0.830895 0.556865 0.041834 Pr\n0.657071 0.285549 0.602310 Pr\n0.968437 0.249214 0.129574 Pr\n0.031563 0.750786 0.870426 Pr\n0.443135 0.958166 0.169105 Pr\n0.397690 0.342929 0.714451 Pr\n0.556865 0.041834 0.830895 Pr\n0.249214 0.129574 0.968437 Pr\n0.041834 0.830895 0.556865 Pr\n0.602310 0.657071 0.285549 Pr\n0.169105 0.443135 0.958166 Pr\n0.750786 0.870426 0.031563 Pr\n0.958166 0.169105 0.443135 Pr\n0.714451 0.397690 0.342929 Pr\n0.289539 0.390732 0.211218 Si\n0.609268 0.788782 0.710461 Si\n0.390732 0.211218 0.289539 Si\n0.788782 0.710461 0.609268 Si\n0.211218 0.289539 0.390732 Si\n0.710461 0.609268 0.788782 Si\n0.292738 0.877270 0.834670 Se\n0.834670 0.292738 0.877270 Se\n0.974275 0.440754 0.646967 Se\n0.646967 0.974275 0.440754 Se\n0.559246 0.353033 0.025725 Se\n0.353033 0.025725 0.559246 Se\n0.122730 0.165330 0.707262 Se\n0.165330 0.707262 0.122730 Se\n0.707262 0.122730 0.165330 Se\n0.440754 0.646967 0.974275 Se\n0.025725 0.559246 0.353033 Se\n0.877270 0.834670 0.292738 Se\n0.448812 0.789095 0.646695 N\n0.749471 0.977767 0.878222 N\n0.238355 0.415568 0.338017 N\n0.250529 0.022233 0.121778 N\n0.121778 0.250529 0.022233 N\n0.761645 0.584432 0.661983 N\n0.022233 0.121778 0.250529 N\n0.977767 0.878222 0.749471 N\n0.415568 0.338017 0.238355 N\n0.878222 0.749471 0.977767 N\n0.584432 0.661983 0.761645 N\n0.210905 0.353305 0.551188 N\n0.789095 0.646695 0.448812 N\n0.661983 0.761645 0.584432 N\n0.551188 0.210905 0.353305 N\n0.338017 0.238355 0.415568 N\n0.353305 0.551188 0.210905 N\n0.646695 0.448812 0.789095 N\n",
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"elements": [
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],
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"density": 5.840946308163941,
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"formula_full": "Pr18 Si6 Se12 N18",
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"updated_at": "2021-11-28T01:38:07.537000Z",
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},
{
"id": "mp-14836",
"created_at": "2022-09-04T14:39:11.967655Z",
"structure_string": "Pr16 Si8 Se12 O28\n1.0\n-6.131574 6.131574 7.328695\n6.131574 -6.131574 7.328695\n6.131574 6.131574 -7.328695\nPr Si Se O\n16 8 12 28\ndirect\n0.922370 0.422370 0.844740 Pr\n0.172370 0.827630 0.000000 Pr\n0.827630 0.172370 0.000000 Pr\n0.577630 0.077630 0.155260 Pr\n0.827630 0.827630 0.655260 Pr\n0.577630 0.422370 0.500000 Pr\n0.922370 0.077630 0.500000 Pr\n0.172370 0.172370 0.344740 Pr\n0.540778 0.301014 0.760236 Pr\n0.540778 0.780542 0.239764 Pr\n0.698986 0.459222 0.239764 Pr\n0.530542 0.790778 0.739764 Pr\n0.051014 0.790778 0.260236 Pr\n0.209222 0.469458 0.260236 Pr\n0.209222 0.948986 0.739764 Pr\n0.219458 0.459222 0.760236 Pr\n0.781101 0.904906 0.123805 Si\n0.781101 0.657296 0.876195 Si\n0.095094 0.218899 0.876195 Si\n0.407296 0.031101 0.376195 Si\n0.654906 0.031101 0.623805 Si\n0.968899 0.592704 0.623805 Si\n0.968899 0.345094 0.376195 Si\n0.342704 0.218899 0.123805 Si\n0.000000 0.000000 0.000000 Se\n0.750000 0.250000 0.500000 Se\n0.250000 0.750000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n0.375000 0.478654 0.603654 Se\n0.228654 0.125000 0.603654 Se\n0.521346 0.625000 0.396346 Se\n0.875000 0.771346 0.396346 Se\n0.375000 0.771346 0.896346 Se\n0.521346 0.125000 0.896346 Se\n0.228654 0.625000 0.103654 Se\n0.875000 0.478654 0.103654 Se\n0.264609 0.264609 0.000000 O\n0.014609 0.514609 0.500000 O\n0.485391 0.985391 0.500000 O\n0.735391 0.735391 0.000000 O\n0.705363 0.480326 0.774963 O\n0.705363 0.930400 0.225037 O\n0.519674 0.294637 0.225037 O\n0.680400 0.955363 0.725037 O\n0.230326 0.955363 0.274963 O\n0.044637 0.319600 0.274963 O\n0.044637 0.769674 0.725037 O\n0.069600 0.294637 0.774963 O\n0.798921 0.557138 0.522929 O\n0.034208 0.275992 0.477071 O\n0.442862 0.201079 0.477071 O\n0.025992 0.048921 0.741784 O\n0.307138 0.284208 0.258216 O\n0.951079 0.974008 0.258216 O\n0.715792 0.692862 0.741784 O\n0.724008 0.965792 0.522929 O\n0.951079 0.692862 0.977071 O\n0.715792 0.974008 0.022929 O\n0.307138 0.048921 0.022929 O\n0.724008 0.201079 0.758216 O\n0.442862 0.965792 0.241784 O\n0.798921 0.275992 0.241784 O\n0.034208 0.557138 0.758216 O\n0.025992 0.284208 0.977071 O\n",
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"elements": [
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],
"chemical_system": "O-Pr-Se-Si",
"density": 5.837913677272693,
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"formula_full": "Pr16 Si8 Se12 O28",
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"updated_at": "2021-11-28T01:34:36.009000Z",
"spacegroup": 141
},
{
"id": "mp-541996",
"created_at": "2022-09-04T14:47:16.649847Z",
"structure_string": "Pr8 Si4 Te4 O16\n1.0\n6.525532 0.000000 0.000000\n0.000000 8.835881 0.000000\n0.000000 0.838849 9.982943\nPr Si Te O\n8 4 4 16\ndirect\n0.695339 0.665355 0.847393 Pr\n0.195339 0.834645 0.152607 Pr\n0.304661 0.334645 0.152607 Pr\n0.804661 0.165355 0.847393 Pr\n0.152099 0.805967 0.605094 Pr\n0.652099 0.694033 0.394906 Pr\n0.847901 0.194033 0.394906 Pr\n0.347901 0.305967 0.605094 Pr\n0.690266 0.943462 0.626163 Si\n0.190266 0.556538 0.373837 Si\n0.309734 0.056538 0.373837 Si\n0.809734 0.443462 0.626163 Si\n0.212889 0.615778 0.906107 Te\n0.712889 0.884222 0.093893 Te\n0.787111 0.384222 0.093893 Te\n0.287111 0.115778 0.906107 Te\n0.306476 0.578361 0.517148 O\n0.806476 0.921639 0.482852 O\n0.693524 0.421639 0.482852 O\n0.193524 0.078361 0.517148 O\n0.866725 0.623853 0.626127 O\n0.366725 0.876147 0.373873 O\n0.133275 0.376147 0.373873 O\n0.633275 0.123853 0.626127 O\n0.510322 0.817175 0.655572 O\n0.010322 0.682825 0.344428 O\n0.489678 0.182825 0.344428 O\n0.989678 0.317175 0.655572 O\n0.858723 0.909830 0.749028 O\n0.358723 0.590170 0.250972 O\n0.141277 0.090170 0.250972 O\n0.641277 0.409830 0.749028 O\n",
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"formula_full": "Pr8 Si4 Te4 O16",
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},
{
"id": "mp-17750",
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"structure_string": "Pr8 Si4 Te4 O16\n1.0\n6.401562 0.000000 0.000000\n0.000000 7.321515 0.000000\n0.000000 0.000000 11.355933\nPr Si Te O\n8 4 4 16\ndirect\n0.387999 0.750000 0.500000 Pr\n0.387999 0.750000 0.000000 Pr\n0.612001 0.250000 0.500000 Pr\n0.612001 0.250000 0.000000 Pr\n0.887078 0.540372 0.750000 Pr\n0.887078 0.959628 0.250000 Pr\n0.112922 0.040372 0.750000 Pr\n0.112922 0.459628 0.250000 Pr\n0.114265 0.250000 0.000000 Si\n0.885735 0.750000 0.000000 Si\n0.885735 0.750000 0.500000 Si\n0.114265 0.250000 0.500000 Si\n0.596595 0.924397 0.750000 Te\n0.596595 0.575603 0.250000 Te\n0.403405 0.424397 0.750000 Te\n0.403405 0.075603 0.250000 Te\n0.268515 0.421516 0.035819 O\n0.268515 0.078484 0.964181 O\n0.731485 0.921516 0.464181 O\n0.731485 0.578484 0.535819 O\n0.731485 0.578484 0.964181 O\n0.731485 0.921516 0.035819 O\n0.268515 0.078484 0.535819 O\n0.268515 0.421516 0.464181 O\n0.046647 0.729431 0.114557 O\n0.046647 0.729431 0.385443 O\n0.953353 0.229431 0.385443 O\n0.953353 0.270569 0.614557 O\n0.953353 0.270569 0.885443 O\n0.953353 0.229431 0.114557 O\n0.046647 0.770569 0.614557 O\n0.046647 0.770569 0.885443 O\n",
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],
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"volume": 532.2427251043613,
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"formula_full": "Pr8 Si4 Te4 O16",
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"updated_at": "2021-11-28T01:37:19.672000Z",
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}
]
}