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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10419",
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"results": [
{
"id": "mp-758285",
"created_at": "2022-09-04T14:47:34.179262Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n9.795982 0.000000 0.000000\n0.000000 4.709564 0.000000\n0.000000 0.040405 6.695368\nLi Ni P O\n4 4 4 16\ndirect\n0.305370 0.757441 0.735501 Li\n0.742168 0.293844 0.724479 Li\n0.242168 0.706156 0.275521 Li\n0.805370 0.242559 0.264499 Li\n0.015374 0.783596 0.966722 Ni\n0.087846 0.240501 0.533093 Ni\n0.587846 0.759499 0.466907 Ni\n0.515374 0.216404 0.033278 Ni\n0.199939 0.207319 0.976410 P\n0.905886 0.722738 0.529956 P\n0.405886 0.277262 0.470044 P\n0.699939 0.792681 0.023590 P\n0.343988 0.090949 0.923205 O\n0.190824 0.534598 0.975753 O\n0.639343 0.932991 0.833213 O\n0.108483 0.077617 0.800733 O\n0.908558 0.609802 0.748634 O\n0.275443 0.412681 0.561353 O\n0.899554 0.051865 0.511897 O\n0.536144 0.387627 0.579516 O\n0.036144 0.612373 0.420484 O\n0.399554 0.948135 0.488103 O\n0.775443 0.587319 0.438647 O\n0.408558 0.390198 0.251366 O\n0.608483 0.922383 0.199267 O\n0.139343 0.067009 0.166787 O\n0.690824 0.465402 0.024247 O\n0.843988 0.909051 0.076795 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.4535605700766654,
"density_atomic": 0.0906473051593402,
"volume": 308.8894915384576,
"volume_molar": 6.643485704747931,
"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
"energy": -195.34547003,
"energy_per_atom": -6.976623929642857,
"energy_above_hull": null,
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"band_gap": 3.4640000000000004,
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"is_magnetic": true,
"total_magnetization": 7.9997759,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.182000Z",
"spacegroup": 4
},
{
"id": "mp-26008",
"created_at": "2022-09-04T14:47:34.326086Z",
"structure_string": "Ni2 P4 O14\n1.0\n8.124409 0.000000 0.000000\n0.000000 4.939090 0.000000\n0.000000 2.062084 6.770436\nNi P O\n2 4 14\ndirect\n0.505664 0.784705 0.725315 Ni\n0.005664 0.215295 0.274685 Ni\n0.683835 0.391327 0.484151 P\n0.183835 0.608673 0.515849 P\n0.774922 0.773484 0.099518 P\n0.274922 0.226516 0.900482 P\n0.358473 0.728543 0.507673 O\n0.321008 0.966585 0.836590 O\n0.821008 0.033415 0.163410 O\n0.179819 0.133419 0.093002 O\n0.926058 0.594310 0.086182 O\n0.648040 0.586110 0.262006 O\n0.180373 0.422991 0.376454 O\n0.858473 0.271457 0.492327 O\n0.426058 0.405690 0.913818 O\n0.051408 0.835083 0.474797 O\n0.679819 0.866581 0.906998 O\n0.680373 0.577009 0.623546 O\n0.148040 0.413890 0.737994 O\n0.551408 0.164917 0.525203 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 2.8438193894189694,
"density_atomic": 0.07361641090259088,
"volume": 271.67855312131377,
"volume_molar": 8.180432441848444,
"formula_full": "Ni2 P4 O14",
"formula_reduced": "NiP2O7",
"formula_anonymous": "AB2C7",
"energy": -139.90123719,
"energy_per_atom": -6.9950618595,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -125.20123719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002558,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.055000Z",
"spacegroup": 4
},
{
"id": "mp-1192807",
"created_at": "2022-09-04T14:47:34.257091Z",
"structure_string": "Cu4 Te4 Pb2 Cl4 O12\n1.0\n7.342280 0.000000 0.000000\n0.000000 7.329504 0.000000\n0.000000 0.926318 8.353399\nCu Te Pb Cl O\n4 4 2 4 12\ndirect\n0.909456 0.361856 0.911830 Cu\n0.409456 0.638144 0.088170 Cu\n0.391585 0.319072 0.412497 Cu\n0.891585 0.680928 0.587503 Cu\n0.541579 0.872180 0.388007 Te\n0.041579 0.127820 0.611993 Te\n0.770792 0.353376 0.233290 Te\n0.270792 0.646624 0.766710 Te\n0.400037 0.126407 0.938992 Pb\n0.900037 0.873593 0.061008 Pb\n0.175718 0.550814 0.378595 Cl\n0.675718 0.449186 0.621405 Cl\n0.158217 0.107978 0.228254 Cl\n0.658217 0.892022 0.771746 Cl\n0.529007 0.460179 0.242201 O\n0.029007 0.539821 0.757799 O\n0.525207 0.854348 0.163108 O\n0.025207 0.145652 0.836892 O\n0.582247 0.131722 0.376333 O\n0.082247 0.868278 0.623667 O\n0.745047 0.204141 0.057881 O\n0.245047 0.795859 0.942119 O\n0.791304 0.808513 0.391625 O\n0.291304 0.191487 0.608375 O\n0.849104 0.537141 0.063481 O\n0.349104 0.462859 0.936519 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Cu",
"Te",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Pb-Te",
"density": 5.588028898500582,
"density_atomic": 0.05783684489487485,
"volume": 449.54042785802034,
"volume_molar": 10.412291284121629,
"formula_full": "Cu4 Te4 Pb2 Cl4 O12",
"formula_reduced": "Cu2Te2Pb(ClO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy": -137.38743528,
"energy_per_atom": -5.284132126153846,
"energy_above_hull": null,
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"energy_uncorrected": -126.68743528000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0003884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.169000Z",
"spacegroup": 4
},
{
"id": "mp-600208",
"created_at": "2022-09-04T14:47:35.065901Z",
"structure_string": "Zr2 H72 C32 N8 O32\n1.0\n10.179875 0.000000 0.000000\n0.000000 12.006897 0.000000\n0.000000 4.501411 11.654006\nZr H C N O\n2 72 32 8 32\ndirect\n0.200017 0.940748 0.266865 Zr\n0.700017 0.059252 0.733135 Zr\n0.074428 0.581313 0.437002 H\n0.275202 0.643265 0.079804 H\n0.248013 0.583449 0.424892 H\n0.595864 0.436154 0.068082 H\n0.514611 0.656113 0.136949 H\n0.835776 0.622313 0.626646 H\n0.651096 0.272528 0.996483 H\n0.748013 0.416551 0.575108 H\n0.425811 0.547316 0.208386 H\n0.741116 0.711397 0.068648 H\n0.993051 0.569227 0.107049 H\n0.405099 0.487784 0.389630 H\n0.151096 0.727472 0.003517 H\n0.757748 0.375122 0.105995 H\n0.576072 0.898196 0.020392 H\n0.158392 0.276124 0.482308 H\n0.734473 0.717747 0.192395 H\n0.289254 0.504477 0.696330 H\n0.960363 0.973838 0.502997 H\n0.078342 0.635095 0.194375 H\n0.460363 0.026162 0.497003 H\n0.088775 0.612790 0.610203 H\n0.095864 0.563846 0.931918 H\n0.814023 0.891875 0.554418 H\n0.510579 0.788672 0.935885 H\n0.014611 0.343887 0.863051 H\n0.588775 0.387210 0.389797 H\n0.234473 0.282253 0.807605 H\n0.076072 0.101804 0.979608 H\n0.626993 0.508637 0.805343 H\n0.658392 0.723876 0.517692 H\n0.574428 0.418687 0.562998 H\n0.366480 0.835381 0.853184 H\n0.236168 0.485829 0.009342 H\n0.178420 0.719558 0.515330 H\n0.140157 0.285096 0.353248 H\n0.930292 0.019357 0.983609 H\n0.799311 0.341632 0.314600 H\n0.812211 0.937055 0.141263 H\n0.578342 0.364905 0.805625 H\n0.257748 0.624878 0.894005 H\n0.052900 0.005178 0.759868 H\n0.358723 0.217799 0.283936 H\n0.126993 0.491363 0.194657 H\n0.430292 0.980643 0.016391 H\n0.858723 0.782201 0.716064 H\n0.866480 0.164619 0.146816 H\n0.168961 0.462269 0.537028 H\n0.012673 0.814277 0.763707 H\n0.381381 0.611752 0.583451 H\n0.335776 0.377687 0.373354 H\n0.775202 0.356735 0.920196 H\n0.905099 0.512216 0.610370 H\n0.881381 0.388248 0.416549 H\n0.241116 0.288603 0.931352 H\n0.010579 0.211328 0.064115 H\n0.836739 0.977485 0.263112 H\n0.299311 0.658368 0.685400 H\n0.586681 0.962734 0.387325 H\n0.336739 0.022515 0.736888 H\n0.668961 0.537731 0.462972 H\n0.736168 0.514171 0.990658 H\n0.314023 0.108125 0.445582 H\n0.552900 0.994822 0.240132 H\n0.640157 0.714904 0.646752 H\n0.925811 0.452684 0.791614 H\n0.312211 0.062945 0.858737 H\n0.678420 0.280442 0.484670 H\n0.789254 0.495523 0.303670 H\n0.086681 0.037266 0.612675 H\n0.493051 0.430773 0.892951 H\n0.512673 0.185723 0.236293 H\n0.845336 0.822415 0.867331 C\n0.588738 0.420699 0.857673 C\n0.783005 0.077685 0.481623 C\n0.021507 0.020741 0.030349 C\n0.510236 0.958396 0.326937 C\n0.088738 0.579301 0.142327 C\n0.972445 0.170664 0.653082 C\n0.368843 0.027753 0.449493 C\n0.472445 0.829336 0.346918 C\n0.521507 0.979259 0.969651 C\n0.868843 0.972247 0.550507 C\n0.010236 0.041604 0.673063 C\n0.909182 0.842277 0.751142 C\n0.294039 0.597621 0.638018 C\n0.430920 0.183762 0.721409 C\n0.930920 0.816238 0.278591 C\n0.166134 0.557818 0.485659 C\n0.885896 0.941569 0.203872 C\n0.040349 0.169412 0.242589 C\n0.794039 0.402379 0.361982 C\n0.409182 0.157723 0.248858 C\n0.385896 0.058431 0.796128 C\n0.471936 0.853950 0.855924 C\n0.971936 0.146050 0.144076 C\n0.283005 0.922315 0.518377 C\n0.693063 0.425935 0.035203 C\n0.540349 0.830588 0.757411 C\n0.193063 0.574065 0.964797 C\n0.608443 0.084137 0.964455 C\n0.345336 0.177585 0.132669 C\n0.666134 0.442182 0.514341 C\n0.108443 0.915863 0.035545 C\n0.894717 0.966909 0.669255 N\n0.180920 0.638299 0.046194 N\n0.680920 0.361701 0.953806 N\n0.495555 0.976688 0.853713 N\n0.675749 0.372790 0.437168 N\n0.995555 0.023312 0.146287 N\n0.175749 0.627210 0.562832 N\n0.394717 0.033091 0.330745 N\n0.179812 0.294676 0.867896 O\n0.529941 0.731362 0.747845 O\n0.916228 0.568584 0.649598 O\n0.044102 0.256241 0.597995 O\n0.361306 0.272875 0.707753 O\n0.109477 0.879936 0.952649 O\n0.609477 0.120064 0.047351 O\n0.042742 0.812765 0.330719 O\n0.929438 0.383712 0.864403 O\n0.773755 0.107704 0.376046 O\n0.680755 0.129634 0.873930 O\n0.779829 0.912836 0.875017 O\n0.861306 0.727125 0.292247 O\n0.206082 0.294610 0.408662 O\n0.679812 0.705324 0.132104 O\n0.111757 0.082387 0.310538 O\n0.352460 0.276659 0.054011 O\n0.217940 0.871034 0.457842 O\n0.029941 0.268638 0.252155 O\n0.863053 0.181847 0.702459 O\n0.273755 0.892296 0.623954 O\n0.416228 0.431416 0.350402 O\n0.544102 0.743759 0.402005 O\n0.363053 0.818153 0.297541 O\n0.852460 0.723341 0.945989 O\n0.279829 0.087164 0.124983 O\n0.542742 0.187235 0.669281 O\n0.429438 0.616288 0.135597 O\n0.706082 0.705390 0.591338 O\n0.611757 0.917613 0.689462 O\n0.717940 0.128966 0.542158 O\n0.180755 0.870366 0.126070 O\n",
"nsites": 146,
"nelements": 5,
"elements": [
"Zr",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Zr",
"density": 1.472788187665075,
"density_atomic": 0.10249540316211875,
"volume": 1424.4541266798988,
"volume_molar": 5.875522778787138,
"formula_full": "Zr2 H72 C32 N8 O32",
"formula_reduced": "ZrH36C16(NO4)4",
"formula_anonymous": "AB4C16D16E36",
"energy": -900.57258791,
"energy_per_atom": -6.168305396643836,
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"total_magnetization": 6.62e-05,
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"updated_at": "2021-11-28T01:38:11.767000Z",
"spacegroup": 4
},
{
"id": "mp-1220030",
"created_at": "2022-09-04T14:47:36.083512Z",
"structure_string": "Sb4 C12 Br18 N6\n1.0\n0.000000 -7.951181 0.000000\n-9.943074 0.000000 0.693023\n-0.319667 0.000000 -15.196617\nSb C Br N\n4 12 18 6\ndirect\n0.505235 0.844932 0.146687 Sb\n0.005235 0.155068 0.353313 Sb\n0.461347 0.176685 0.854957 Sb\n0.961347 0.823315 0.645043 Sb\n0.005654 0.872746 0.053597 C\n0.505654 0.127254 0.446403 C\n0.915237 0.058853 0.957722 C\n0.415237 0.941147 0.542278 C\n0.282446 0.605335 0.371719 C\n0.782446 0.394665 0.128281 C\n0.711167 0.374167 0.627411 C\n0.211167 0.625833 0.872589 C\n0.018493 0.669421 0.293238 C\n0.518493 0.330579 0.206762 C\n0.984981 0.340560 0.705376 C\n0.484981 0.659440 0.794624 C\n0.335512 0.650806 0.081156 Br\n0.835512 0.349194 0.418844 Br\n0.678619 0.358797 0.921562 Br\n0.178619 0.641203 0.578438 Br\n0.860759 0.716129 0.052056 Br\n0.360759 0.283871 0.447944 Br\n0.215062 0.315271 0.921135 Br\n0.715062 0.684729 0.578865 Br\n0.494565 0.676937 0.334638 Br\n0.994565 0.323063 0.165362 Br\n0.500221 0.326585 0.681695 Br\n0.000221 0.673415 0.818305 Br\n0.795359 0.009648 0.262358 Br\n0.295359 0.990352 0.237642 Br\n0.226511 0.011685 0.758169 Br\n0.726511 0.988315 0.741831 Br\n0.498249 0.995723 0.008858 Br\n0.998249 0.004277 0.491142 Br\n0.154539 0.654679 0.326822 N\n0.654539 0.345321 0.173178 N\n0.843416 0.351406 0.677180 N\n0.343416 0.648594 0.822820 N\n0.946028 0.961438 0.999659 N\n0.446028 0.038562 0.500341 N\n",
"nsites": 40,
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"elements": [
"Sb",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-N-Sb",
"density": 2.9720393684766315,
"density_atomic": 0.033244858444349046,
"volume": 1203.1935725326932,
"volume_molar": 18.11450263829787,
"formula_full": "Sb4 C12 Br18 N6",
"formula_reduced": "Sb2C6(Br3N)3",
"formula_anonymous": "A2B3C6D9",
"energy": -193.46567528000003,
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"updated_at": "2021-11-28T01:38:11.185000Z",
"spacegroup": 4
},
{
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