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{
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"results": [
{
"id": "mp-675242",
"created_at": "2022-09-04T14:39:07.294083Z",
"structure_string": "Ag6 Hg3 I12\n1.0\n2.599666 3.862904 0.000000\n-2.599666 3.862904 0.000000\n0.000000 1.960581 50.270323\nAg Hg I\n6 3 12\ndirect\n0.746398 0.746398 0.251005 Ag\n0.344560 0.344560 0.326623 Ag\n0.936716 0.936716 0.400651 Ag\n0.244311 0.244311 0.767483 Ag\n0.427643 0.427643 0.914939 Ag\n0.837320 0.837320 0.840993 Ag\n0.558218 0.558218 0.479668 Hg\n0.073151 0.073151 0.578613 Hg\n0.616800 0.616800 0.679739 Hg\n0.687311 0.687311 0.055406 I\n0.181788 0.181788 0.076395 I\n0.801366 0.801366 0.197394 I\n0.390497 0.390497 0.271005 I\n0.982640 0.982640 0.344937 I\n0.573076 0.573076 0.418930 I\n0.146464 0.146464 0.497036 I\n0.745369 0.745369 0.629253 I\n0.288970 0.288970 0.708206 I\n0.880382 0.880382 0.780572 I\n0.472257 0.472257 0.853924 I\n0.064073 0.064073 0.927227 I\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"Hg",
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],
"chemical_system": "Ag-Hg-I",
"density": 4.558720777962089,
"density_atomic": 0.020799177147282265,
"volume": 1009.6553268091174,
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"formula_full": "Ag6 Hg3 I12",
"formula_reduced": "Ag2HgI4",
"formula_anonymous": "AB2C4",
"energy": -43.35620766,
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"is_stable": null,
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"energy_uncorrected": -38.80820766,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.108000Z",
"spacegroup": 8
},
{
"id": "mp-1229141",
"created_at": "2022-09-04T14:40:00.059388Z",
"structure_string": "Ag4 Hg2 Ge2 S8\n1.0\n-0.006798 0.000000 -6.712016\n0.000000 -7.021165 0.000000\n-8.154697 0.000000 -0.008302\nAg Hg Ge S\n4 2 2 8\ndirect\n0.973209 0.188216 0.245304 Ag\n0.473209 0.811784 0.745304 Ag\n0.954776 0.652710 0.499948 Ag\n0.454776 0.347290 0.999948 Ag\n0.971575 0.188752 0.755133 Hg\n0.471575 0.811248 0.255133 Hg\n0.457467 0.317702 0.499674 Ge\n0.957467 0.682298 0.999674 Ge\n0.337670 0.618542 0.503119 S\n0.837670 0.381458 0.003119 S\n0.350700 0.169039 0.269801 S\n0.354823 0.166410 0.730186 S\n0.854823 0.833590 0.230186 S\n0.850700 0.830961 0.769801 S\n0.793780 0.321484 0.496835 S\n0.293780 0.678516 0.996835 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"Ge",
"S"
],
"chemical_system": "Ag-Ge-Hg-S",
"density": 5.334012673413459,
"density_atomic": 0.04163422063090043,
"volume": 384.2992556974872,
"volume_molar": 14.464401323584374,
"formula_full": "Ag4 Hg2 Ge2 S8",
"formula_reduced": "Ag2HgGeS4",
"formula_anonymous": "ABC2D4",
"energy": -61.76027702,
"energy_per_atom": -3.86001731375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -57.73627702,
"band_gap": 0.4441000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.133000Z",
"spacegroup": 7
},
{
"id": "mp-1095946",
"created_at": "2022-09-04T14:41:19.489468Z",
"structure_string": "Ag2 Hg1 Au1\n1.0\n-5.347192 5.751045 8.130341\n5.347192 -5.751045 8.130341\n5.347192 5.751045 -8.130341\nAg Hg Au\n2 1 1\ndirect\n0.000000 0.246712 0.246712 Ag\n0.000000 0.753288 0.753288 Ag\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Hg",
"Au"
],
"chemical_system": "Ag-Au-Hg",
"density": 1.0183001005818622,
"density_atomic": 0.0039996196621946535,
"volume": 1000.0950934932492,
"volume_molar": 150.56783566004268,
"formula_full": "Ag2 Hg1 Au1",
"formula_reduced": "Ag2HgAu",
"formula_anonymous": "ABC2",
"energy": -5.44299483,
"energy_per_atom": -1.3607487075,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -5.44299483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.117000Z",
"spacegroup": 71
},
{
"id": "mp-672339",
"created_at": "2022-09-04T14:46:54.391862Z",
"structure_string": "Ag2 Hg7 P8 I6\n1.0\n5.615503 6.718143 0.000000\n-5.615503 6.718143 0.000000\n0.000000 1.874693 8.325103\nAg Hg P I\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.364502 0.729593 0.234506 Hg\n0.727963 0.727963 0.867762 Hg\n0.635498 0.270407 0.765494 Hg\n0.272037 0.272037 0.132238 Hg\n0.270407 0.635498 0.765494 Hg\n0.000000 0.000000 0.000000 Hg\n0.729593 0.364502 0.234506 Hg\n0.236402 0.921504 0.421023 P\n0.438412 0.438412 0.934327 P\n0.561588 0.561588 0.065673 P\n0.085273 0.085273 0.257768 P\n0.078496 0.763598 0.578977 P\n0.921504 0.236402 0.421023 P\n0.763598 0.078496 0.578977 P\n0.914727 0.914727 0.742232 P\n0.962415 0.359922 0.851739 I\n0.646234 0.646234 0.535070 I\n0.037585 0.640078 0.148261 I\n0.359922 0.962415 0.851739 I\n0.640078 0.037585 0.148261 I\n0.353766 0.353766 0.464930 I\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"I"
],
"chemical_system": "Ag-Hg-I-P",
"density": 6.950178012052023,
"density_atomic": 0.03661595093901025,
"volume": 628.1415451509151,
"volume_molar": 16.446768704794376,
"formula_full": "Ag2 Hg7 P8 I6",
"formula_reduced": "Ag2Hg7(P4I3)2",
"formula_anonymous": "A2B6C7D8",
"energy": -65.55432918,
"energy_per_atom": -2.850188225217391,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.28032918,
"band_gap": 0.6607999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046204,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.778000Z",
"spacegroup": 12
},
{
"id": "mp-571425",
"created_at": "2022-09-04T14:47:10.769011Z",
"structure_string": "Ag2 Hg7 P8 Br6\n1.0\n5.555512 6.559642 0.000000\n-5.555512 6.559642 0.000000\n0.000000 1.646565 8.111740\nAg Hg P Br\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.367021 0.732828 0.235348 Hg\n0.273598 0.273598 0.133293 Hg\n0.732828 0.367021 0.235348 Hg\n0.632979 0.267172 0.764652 Hg\n0.000000 0.000000 0.000000 Hg\n0.726402 0.726402 0.866707 Hg\n0.267172 0.632979 0.764652 Hg\n0.075714 0.762602 0.575216 P\n0.913439 0.913439 0.744096 P\n0.562618 0.562618 0.067792 P\n0.924286 0.237398 0.424784 P\n0.086561 0.086561 0.255904 P\n0.762602 0.075714 0.575216 P\n0.237398 0.924286 0.424784 P\n0.437382 0.437382 0.932208 P\n0.049860 0.638154 0.146820 Br\n0.354716 0.354716 0.456952 Br\n0.645284 0.645284 0.543048 Br\n0.638154 0.049860 0.146820 Br\n0.361846 0.950140 0.853180 Br\n0.950140 0.361846 0.853180 Br\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"Br"
],
"chemical_system": "Ag-Br-Hg-P",
"density": 6.592176645910806,
"density_atomic": 0.038902686227856996,
"volume": 591.2188136646055,
"volume_molar": 15.480012677602025,
"formula_full": "Ag2 Hg7 P8 Br6",
"formula_reduced": "Ag2Hg7(P4Br3)2",
"formula_anonymous": "A2B6C7D8",
"energy": -69.20244878999999,
"energy_per_atom": -3.0088021213043477,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -65.99844879,
"band_gap": 0.7716000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.545000Z",
"spacegroup": 12
},
{
"id": "mp-23592",
"created_at": "2022-09-04T14:40:32.274502Z",
"structure_string": "Ag8 Hg28 As16 I24\n1.0\n13.581816 0.000000 0.000000\n0.000000 13.581816 0.000000\n0.000000 0.000000 13.581816\nAg Hg As I\n8 28 16 24\ndirect\n0.220630 0.220630 0.220630 Ag\n0.279370 0.779370 0.720630 Ag\n0.720630 0.279370 0.779370 Ag\n0.779370 0.720630 0.279370 Ag\n0.779370 0.779370 0.779370 Ag\n0.720630 0.220630 0.279370 Ag\n0.279370 0.720630 0.220630 Ag\n0.220630 0.279370 0.720630 Ag\n0.210542 0.419016 0.447392 Hg\n0.447392 0.210542 0.419016 Hg\n0.419016 0.447392 0.210542 Hg\n0.080984 0.552608 0.710542 Hg\n0.947392 0.289458 0.580984 Hg\n0.580984 0.947392 0.289458 Hg\n0.052608 0.789458 0.919016 Hg\n0.552608 0.710542 0.080984 Hg\n0.919016 0.052608 0.789458 Hg\n0.710542 0.080984 0.552608 Hg\n0.789458 0.919016 0.052608 Hg\n0.289458 0.580984 0.947392 Hg\n0.789458 0.580984 0.552608 Hg\n0.552608 0.789458 0.580984 Hg\n0.580984 0.552608 0.789458 Hg\n0.919016 0.447392 0.289458 Hg\n0.052608 0.710542 0.419016 Hg\n0.419016 0.052608 0.710542 Hg\n0.947392 0.210542 0.080984 Hg\n0.447392 0.289458 0.919016 Hg\n0.080984 0.947392 0.210542 Hg\n0.289458 0.919016 0.447392 Hg\n0.210542 0.080984 0.947392 Hg\n0.710542 0.419016 0.052608 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 Hg\n0.052350 0.052350 0.052350 As\n0.447650 0.947650 0.552350 As\n0.552350 0.447650 0.947650 As\n0.947650 0.552350 0.447650 As\n0.947650 0.947650 0.947650 As\n0.552350 0.052350 0.447650 As\n0.447650 0.552350 0.052350 As\n0.052350 0.447650 0.552350 As\n0.390372 0.390372 0.390372 As\n0.109628 0.609628 0.890372 As\n0.890372 0.109628 0.609628 As\n0.609628 0.890372 0.109628 As\n0.609628 0.609628 0.609628 As\n0.890372 0.390372 0.109628 As\n0.109628 0.890372 0.390372 As\n0.390372 0.109628 0.890372 As\n0.164009 0.557425 0.253827 I\n0.253827 0.164009 0.557425 I\n0.557425 0.253827 0.164009 I\n0.942575 0.746173 0.664009 I\n0.753827 0.335991 0.442575 I\n0.442575 0.753827 0.335991 I\n0.246173 0.835991 0.057425 I\n0.746173 0.664009 0.942575 I\n0.057425 0.246173 0.835991 I\n0.664009 0.942575 0.746173 I\n0.835991 0.057425 0.246173 I\n0.335991 0.442575 0.753827 I\n0.835991 0.442575 0.746173 I\n0.746173 0.835991 0.442575 I\n0.442575 0.746173 0.835991 I\n0.057425 0.253827 0.335991 I\n0.246173 0.664009 0.557425 I\n0.557425 0.246173 0.664009 I\n0.753827 0.164009 0.942575 I\n0.253827 0.335991 0.057425 I\n0.942575 0.753827 0.164009 I\n0.335991 0.057425 0.253827 I\n0.164009 0.942575 0.753827 I\n0.664009 0.557425 0.246173 I\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"As",
"I"
],
"chemical_system": "Ag-As-Hg-I",
"density": 7.107699751541366,
"density_atomic": 0.0303347251692063,
"volume": 2505.3795469078423,
"volume_molar": 19.852300379873746,
"formula_full": "Ag8 Hg28 As16 I24",
"formula_reduced": "Ag2Hg7(As2I3)2",
"formula_anonymous": "A2B4C6D7",
"energy": -164.29621397,
"energy_per_atom": -2.161792289078947,
"energy_above_hull": null,
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"energy_uncorrected": -155.20021397,
"band_gap": 0.6403999999999999,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.717000Z",
"spacegroup": 205
},
{
"id": "mp-759790",
"created_at": "2022-09-04T14:40:27.268309Z",
"structure_string": "Ag4 Hg10\n1.0\n10.263058 0.000000 0.000000\n0.000000 10.263058 0.000000\n0.000000 0.000000 3.090419\nAg Hg\n4 10\ndirect\n0.680868 0.180868 0.500000 Ag\n0.180868 0.319132 0.500000 Ag\n0.819132 0.680868 0.500000 Ag\n0.319132 0.819132 0.500000 Ag\n0.500000 0.000000 0.000000 Hg\n0.201301 0.062914 0.000000 Hg\n0.937086 0.201301 0.000000 Hg\n0.437086 0.298699 0.000000 Hg\n0.701301 0.437086 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.298699 0.562914 0.000000 Hg\n0.562914 0.701301 0.000000 Hg\n0.062914 0.798699 0.000000 Hg\n0.798699 0.937086 0.000000 Hg\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.433692600006895,
"density_atomic": 0.04300877807513201,
"volume": 325.51494431074997,
"volume_molar": 14.00212010087784,
"formula_full": "Ag4 Hg10",
"formula_reduced": "Ag2Hg5",
"formula_anonymous": "A2B5",
"energy": -13.24999215,
"energy_per_atom": -0.9464280107142857,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -13.24999215,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.817000Z",
"spacegroup": 127
},
{
"id": "mp-1229184",
"created_at": "2022-09-04T14:42:24.708946Z",
"structure_string": "Ag4 Hg6 P8 Br6\n1.0\n-5.769889 3.331247 5.953456\n-0.177134 -6.226304 5.530314\n5.303570 3.266554 5.530314\nAg Hg P Br\n4 6 8 6\ndirect\n0.512522 0.508485 0.988305 Ag\n0.487478 0.011695 0.491515 Ag\n0.681230 0.658648 0.647775 Ag\n0.318770 0.352225 0.341352 Ag\n0.770032 0.765609 0.133991 Hg\n0.768473 0.129949 0.764669 Hg\n0.118226 0.751696 0.752558 Hg\n0.231527 0.235331 0.870051 Hg\n0.229968 0.866009 0.234391 Hg\n0.881774 0.247442 0.248304 Hg\n0.936468 0.936031 0.935401 P\n0.063532 0.064599 0.063969 P\n0.577960 0.580654 0.253637 P\n0.578685 0.254006 0.580683 P\n0.281872 0.562511 0.561943 P\n0.421315 0.419317 0.745994 P\n0.422040 0.746363 0.419346 P\n0.718128 0.438057 0.437489 P\n0.461104 0.857978 0.851680 Br\n0.857915 0.868930 0.455359 Br\n0.857277 0.460017 0.863313 Br\n0.538896 0.148320 0.142022 Br\n0.142723 0.136687 0.539983 Br\n0.142085 0.544641 0.131070 Br\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"Br"
],
"chemical_system": "Ag-Br-Hg-P",
"density": 6.570153484316474,
"density_atomic": 0.040199074029371194,
"volume": 597.0286773885526,
"volume_molar": 14.980794720793721,
"formula_full": "Ag4 Hg6 P8 Br6",
"formula_reduced": "Ag2Hg3P4Br3",
"formula_anonymous": "A2B3C3D4",
"energy": -74.57998504999999,
"energy_per_atom": -3.107499377083333,
"energy_above_hull": null,
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"energy_uncorrected": -71.37598505,
"band_gap": 0.8896000000000002,
"is_gap_direct": false,
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"total_magnetization": 0.0004591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.166000Z",
"spacegroup": 5
},
{
"id": "mp-770023",
"created_at": "2022-09-04T14:42:05.254715Z",
"structure_string": "Ag20 Hg30\n1.0\n8.932206 0.000000 0.000000\n-3.033333 8.426501 0.000000\n-0.141173 -0.148128 14.602694\nAg Hg\n20 30\ndirect\n0.004005 0.668697 0.999826 Ag\n0.813385 0.181484 0.825894 Ag\n0.645817 0.640958 0.002216 Ag\n0.357190 0.358162 0.999421 Ag\n0.682961 0.325873 0.675605 Ag\n0.663724 0.991955 0.001791 Ag\n0.171441 0.169435 0.834157 Ag\n0.496164 0.163098 0.504147 Ag\n0.666171 0.669420 0.670642 Ag\n0.855180 0.854352 0.500498 Ag\n0.141332 0.144404 0.498558 Ag\n0.179293 0.821084 0.822702 Ag\n0.327888 0.678346 0.678300 Ag\n0.667450 0.306721 0.320922 Ag\n0.825144 0.182831 0.174338 Ag\n0.165158 0.502350 0.501779 Ag\n0.665408 0.671291 0.332752 Ag\n0.166802 0.165505 0.170421 Ag\n0.318957 0.678019 0.320546 Ag\n0.179169 0.824548 0.176386 Ag\n0.000176 0.230875 0.999223 Hg\n0.791663 0.520915 0.839011 Hg\n0.878478 0.880163 0.880607 Hg\n0.373333 0.073789 0.703914 Hg\n0.982072 0.611683 0.653767 Hg\n0.448762 0.475442 0.816451 Hg\n0.352286 0.718111 0.983394 Hg\n0.825949 0.188110 0.465701 Hg\n0.998047 0.949740 0.683347 Hg\n0.542089 0.878078 0.817989 Hg\n0.114430 0.479979 0.845389 Hg\n0.731574 0.497363 0.497214 Hg\n0.256355 0.014762 0.993009 Hg\n0.383912 0.387683 0.613859 Hg\n0.020546 0.288847 0.659786 Hg\n0.000571 0.679264 0.367308 Hg\n0.673685 0.000927 0.633247 Hg\n0.316872 0.020896 0.338459 Hg\n0.506074 0.749880 0.490184 Hg\n0.380816 0.380832 0.382768 Hg\n0.852407 0.539235 0.180092 Hg\n0.483582 0.113043 0.158596 Hg\n0.923841 0.987239 0.316219 Hg\n0.491873 0.452801 0.182971 Hg\n0.221793 0.854584 0.526409 Hg\n0.685161 0.322641 0.004569 Hg\n0.048614 0.358430 0.317464 Hg\n0.889967 0.883375 0.115189 Hg\n0.545549 0.810057 0.177480 Hg\n0.174800 0.501745 0.132389 Hg\n",
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"elements": [
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],
"chemical_system": "Ag-Hg",
"density": 12.350975691893154,
"density_atomic": 0.045491579127467915,
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"formula_full": "Ag20 Hg30",
"formula_reduced": "Ag2Hg3",
"formula_anonymous": "A2B3",
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"updated_at": "2021-11-28T01:35:36.262000Z",
"spacegroup": 1
},
{
"id": "mp-553949",
"created_at": "2022-09-04T14:44:02.447495Z",
"structure_string": "Ag4 Hg4 Te6 O24\n1.0\n6.306474 0.000000 0.000000\n0.000000 6.580431 0.000000\n0.000000 5.639676 13.387833\nAg Hg Te O\n4 4 6 24\ndirect\n0.867339 0.894627 0.789794 Ag\n0.632661 0.894627 0.289794 Ag\n0.367339 0.105373 0.710206 Ag\n0.132661 0.105373 0.210206 Ag\n0.542032 0.293522 0.400638 Hg\n0.957968 0.293522 0.900638 Hg\n0.042032 0.706478 0.099362 Hg\n0.457968 0.706478 0.599362 Hg\n0.593911 0.409753 0.106696 Te\n0.093911 0.590247 0.393304 Te\n0.406089 0.590247 0.893304 Te\n0.500000 0.000000 0.000000 Te\n0.906089 0.409753 0.606696 Te\n0.000000 0.000000 0.500000 Te\n0.217565 0.000737 0.055763 O\n0.871165 0.117460 0.595000 O\n0.782435 0.999263 0.944237 O\n0.884628 0.399530 0.148126 O\n0.282435 0.000737 0.555763 O\n0.060483 0.290703 0.390952 O\n0.371165 0.882540 0.905000 O\n0.313694 0.451383 0.037624 O\n0.032095 0.263793 0.732749 O\n0.439517 0.290703 0.890952 O\n0.717565 0.999263 0.444237 O\n0.628835 0.117460 0.095000 O\n0.560483 0.709297 0.109048 O\n0.467905 0.263793 0.232749 O\n0.939517 0.709297 0.609048 O\n0.532095 0.736207 0.767251 O\n0.186306 0.451383 0.537624 O\n0.384628 0.600470 0.351874 O\n0.115372 0.600470 0.851874 O\n0.128835 0.882540 0.405000 O\n0.813694 0.548617 0.462376 O\n0.686306 0.548617 0.962376 O\n0.967905 0.736207 0.267251 O\n0.615372 0.399530 0.648126 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
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"Te",
"O"
],
"chemical_system": "Ag-Hg-O-Te",
"density": 7.123577437505668,
"density_atomic": 0.06839626102631761,
"volume": 555.5859257478754,
"volume_molar": 8.804780655601617,
"formula_full": "Ag4 Hg4 Te6 O24",
"formula_reduced": "Ag2Hg2(TeO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -192.21270341,
"energy_per_atom": -5.058229037105263,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.72470341,
"band_gap": 0.1358000000000001,
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"is_magnetic": false,
"total_magnetization": 0.003324,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.168000Z",
"spacegroup": 14
},
{
"id": "mp-1229093",
"created_at": "2022-09-04T14:45:21.496545Z",
"structure_string": "Ag2 Hg1\n1.0\n1.545755 -2.677327 0.000000\n1.545755 2.677327 0.000000\n0.000000 0.000000 7.243981\nAg Hg\n2 1\ndirect\n0.333333 0.666667 0.657450 Ag\n0.666667 0.333333 0.342550 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Ag-Hg",
"density": 11.530115896660353,
"density_atomic": 0.0500347666634625,
"volume": 59.9583089929892,
"volume_molar": 12.035912549578494,
"formula_full": "Ag2 Hg1",
"formula_reduced": "Ag2Hg",
"formula_anonymous": "AB2",
"energy": -5.81519363,
"energy_per_atom": -1.9383978766666665,
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"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.81519363,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.251000Z",
"spacegroup": 164
},
{
"id": "mp-1215002",
"created_at": "2022-09-04T14:41:31.744183Z",
"structure_string": "Ag4 H16 C4 S4 N10 Cl2 O6\n1.0\n6.534733 0.000000 0.000000\n1.720797 7.699589 0.000000\n1.522594 1.281215 11.926373\nAg H C S N Cl O\n4 16 4 4 10 2 6\ndirect\n0.575046 0.667328 0.064846 Ag\n0.424954 0.332672 0.935154 Ag\n0.011761 0.627591 0.845067 Ag\n0.988239 0.372409 0.154933 Ag\n0.267277 0.583870 0.260617 H\n0.732723 0.416130 0.739383 H\n0.512228 0.025899 0.645244 H\n0.487772 0.974101 0.354756 H\n0.230533 0.007312 0.314498 H\n0.769467 0.992688 0.685502 H\n0.754356 0.299430 0.428942 H\n0.245644 0.700570 0.571058 H\n0.762474 0.023929 0.226078 H\n0.237526 0.976071 0.773922 H\n0.714401 0.116653 0.088883 H\n0.285599 0.883347 0.911117 H\n0.498332 0.254478 0.459826 H\n0.501668 0.745522 0.540174 H\n0.221107 0.424915 0.372026 H\n0.778893 0.575085 0.627974 H\n0.453110 0.074884 0.192250 C\n0.546890 0.925116 0.807750 C\n0.528994 0.450197 0.333960 C\n0.471006 0.549803 0.666040 C\n0.298642 0.428732 0.745765 S\n0.701358 0.571268 0.254235 S\n0.277526 0.138639 0.089732 S\n0.722474 0.861361 0.910268 S\n0.120411 0.167967 0.559183 N\n0.879589 0.832033 0.440817 N\n0.658232 0.072915 0.167462 N\n0.341768 0.927085 0.832538 N\n0.382963 0.019899 0.295652 N\n0.617037 0.980101 0.704348 N\n0.600792 0.323853 0.412160 N\n0.399208 0.676147 0.587840 N\n0.324322 0.488997 0.321032 N\n0.675678 0.511003 0.678968 N\n0.183316 0.659995 0.057492 Cl\n0.816684 0.340005 0.942508 Cl\n0.319709 0.114892 0.541577 O\n0.680291 0.885108 0.458423 O\n0.026183 0.281219 0.488223 O\n0.973817 0.718781 0.511777 O\n0.021791 0.106711 0.646613 O\n0.978209 0.893289 0.353387 O\n",
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"elements": [
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"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-C-Cl-H-N-O-S",
"density": 2.575937398817746,
"density_atomic": 0.07665739429229394,
"volume": 600.0725751856686,
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"formula_full": "Ag4 H16 C4 S4 N10 Cl2 O6",
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"updated_at": "2021-11-28T01:35:23.693000Z",
"spacegroup": 2
}
]
}