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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11530",
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"results": [
{
"id": "mp-776119",
"created_at": "2022-09-04T14:46:19.466829Z",
"structure_string": "Ti3 Mn2 Cr3 O16\n1.0\n5.864879 0.000000 0.000000\n-2.925783 5.113718 0.000000\n-0.096701 -0.109528 8.945215\nTi Mn Cr O\n3 2 3 16\ndirect\n0.675843 0.825659 0.704849 Ti\n0.829577 0.164881 0.210556 Ti\n0.830010 0.665260 0.211934 Ti\n0.663694 0.333757 0.483064 Mn\n0.333860 0.664027 0.981784 Mn\n0.331612 0.165125 0.200121 Cr\n0.165354 0.331188 0.699758 Cr\n0.181390 0.835409 0.716352 Cr\n0.826073 0.174064 0.608082 O\n0.949064 0.473869 0.347001 O\n0.674047 0.336576 0.096005 O\n0.000474 0.000769 0.313288 O\n0.005976 0.997915 0.811386 O\n0.825652 0.658041 0.602014 O\n0.520595 0.051555 0.341402 O\n0.519399 0.470030 0.340805 O\n0.653834 0.826104 0.104937 O\n0.338851 0.178649 0.605841 O\n0.473433 0.525276 0.839013 O\n0.469958 0.952332 0.845421 O\n0.326261 0.673285 0.598470 O\n0.177770 0.343058 0.106415 O\n0.050283 0.521001 0.839889 O\n0.176992 0.831973 0.107334 O\n",
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"elements": [
"Ti",
"Mn",
"Cr",
"O"
],
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"density": 4.118904198969382,
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"volume": 268.27896037656296,
"volume_molar": 6.731723593058853,
"formula_full": "Ti3 Mn2 Cr3 O16",
"formula_reduced": "Ti3Mn2Cr3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -208.48390546,
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"updated_at": "2021-11-28T01:37:23.662000Z",
"spacegroup": 1
},
{
"id": "mp-759745",
"created_at": "2022-09-04T14:46:19.475437Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n-9.748748 -0.030567 0.040212\n-4.847874 8.428074 0.065631\n0.057335 -0.074508 -14.176475\nLi V P O\n8 6 16 58\ndirect\n0.915334 0.311289 0.564337 Li\n0.769717 0.329225 0.054897 Li\n0.327215 0.907656 0.058813 Li\n0.686499 0.225605 0.448351 Li\n0.317640 0.773289 0.558132 Li\n0.231236 0.670061 0.939433 Li\n0.083617 0.690209 0.437054 Li\n0.946371 0.015009 0.990677 Li\n0.569098 0.433404 0.248419 V\n0.432710 0.567678 0.749369 V\n0.567682 0.998962 0.751182 V\n0.435485 0.001845 0.249583 V\n0.994336 0.569150 0.246535 V\n0.008331 0.431917 0.754861 V\n0.916269 0.781706 0.835579 P\n0.770935 0.918034 0.339866 P\n0.912529 0.319489 0.345952 P\n0.662351 0.667121 0.129829 P\n0.669929 0.664183 0.631957 P\n0.775102 0.315791 0.842063 P\n0.680427 0.227004 0.662740 P\n0.313076 0.915686 0.845538 P\n0.693995 0.082202 0.155129 P\n0.320348 0.773529 0.339350 P\n0.227396 0.683119 0.159666 P\n0.335756 0.336821 0.366933 P\n0.335769 0.332375 0.870588 P\n0.087735 0.681017 0.652852 P\n0.226907 0.084466 0.662755 P\n0.083184 0.219998 0.163394 P\n0.010894 0.745288 0.560990 O\n0.916407 0.749200 0.337867 O\n0.791334 0.006056 0.070333 O\n0.742816 0.917263 0.834178 O\n0.922040 0.618963 0.828708 O\n0.806012 0.675338 0.172494 O\n0.905804 0.478396 0.322468 O\n0.990240 0.204043 0.084678 O\n0.916534 0.345926 0.829674 O\n0.662805 0.815340 0.679985 O\n0.619072 0.906480 0.319022 O\n0.819396 0.517402 0.673898 O\n0.651968 0.655293 0.025455 O\n0.668867 0.664620 0.527127 O\n0.672795 0.510954 0.173363 O\n0.470923 0.913094 0.828331 O\n0.507683 0.813850 0.170102 O\n0.743536 0.339017 0.335824 O\n0.792402 0.205085 0.751740 O\n0.756520 0.241208 0.574764 O\n0.793977 0.227443 0.930700 O\n0.617817 0.470272 0.830612 O\n0.515703 0.666395 0.670718 O\n0.657607 0.258615 0.162721 O\n0.480032 0.620346 0.320224 O\n0.343113 0.918613 0.333973 O\n0.795033 0.001340 0.248824 O\n0.758046 0.011774 0.425545 O\n0.228079 0.990685 0.579324 O\n0.658388 0.081381 0.665571 O\n0.519548 0.379881 0.680942 O\n0.339249 0.743654 0.834997 O\n0.485990 0.336223 0.323208 O\n0.383679 0.525428 0.174628 O\n0.230232 0.764500 0.071019 O\n0.244785 0.760977 0.428216 O\n0.207373 0.793504 0.250380 O\n0.255169 0.663625 0.660506 O\n0.482520 0.187012 0.824006 O\n0.538414 0.076935 0.167517 O\n0.324513 0.489185 0.833825 O\n0.329074 0.329123 0.975053 O\n0.352363 0.325181 0.471158 O\n0.184533 0.486861 0.330843 O\n0.381822 0.089561 0.678679 O\n0.340298 0.187394 0.317091 O\n0.085892 0.654801 0.165879 O\n0.989284 0.800480 0.737962 O\n0.007035 0.798204 0.916295 O\n0.098021 0.521394 0.678709 O\n0.187996 0.328411 0.822954 O\n0.084256 0.377802 0.171783 O\n0.256488 0.078486 0.162913 O\n0.234878 0.985588 0.937102 O\n0.200278 0.010699 0.758787 O\n0.083179 0.255733 0.662544 O\n0.980734 0.253412 0.439206 O\n0.013162 0.199280 0.262642 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5398693495577858,
"density_atomic": 0.07541787289623762,
"volume": 1166.8321661772836,
"volume_molar": 7.985031304562856,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -669.8475522900001,
"energy_per_atom": -7.6119040032954555,
"energy_above_hull": null,
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"energy_uncorrected": -619.80155229,
"band_gap": 0.7093,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.704000Z",
"spacegroup": 1
},
{
"id": "mp-1220702",
"created_at": "2022-09-04T14:46:19.510868Z",
"structure_string": "Nb5 V1 Fe2 Se20\n1.0\n6.959512 0.000000 0.000000\n3.437193 9.671422 0.000000\n3.362164 4.135509 9.438608\nNb V Fe Se\n5 1 2 20\ndirect\n0.085832 0.716500 0.363450 Nb\n0.581147 0.719886 0.364884 Nb\n0.412847 0.282852 0.634702 Nb\n0.923284 0.279741 0.632122 Nb\n0.486119 0.448451 0.913288 Nb\n0.008519 0.551851 0.092915 V\n0.563057 0.553030 0.102223 Fe\n0.932833 0.448688 0.899785 Fe\n0.212927 0.731527 0.092060 Se\n0.693769 0.754099 0.087127 Se\n0.280775 0.264550 0.908561 Se\n0.815572 0.242141 0.911033 Se\n0.277324 0.947029 0.243921 Se\n0.783596 0.943657 0.240717 Se\n0.225443 0.050436 0.753913 Se\n0.717116 0.057629 0.757899 Se\n0.440037 0.514019 0.358706 Se\n0.933940 0.511531 0.362045 Se\n0.060590 0.486614 0.639957 Se\n0.568416 0.488431 0.632456 Se\n0.212655 0.829919 0.495810 Se\n0.716408 0.831805 0.492008 Se\n0.289710 0.167936 0.502091 Se\n0.784078 0.167425 0.506592 Se\n0.362325 0.364379 0.170345 Se\n0.862844 0.345354 0.153000 Se\n0.127156 0.636294 0.841005 Se\n0.641681 0.664229 0.847388 Se\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nb",
"V",
"Fe",
"Se"
],
"chemical_system": "Fe-Nb-Se-V",
"density": 5.766988308753128,
"density_atomic": 0.044073847051689215,
"volume": 635.2973900182114,
"volume_molar": 13.663751096965315,
"formula_full": "Nb5 V1 Fe2 Se20",
"formula_reduced": "Nb5V(FeSe10)2",
"formula_anonymous": "AB2C5D20",
"energy": -172.31705674,
"energy_per_atom": -6.154180597857143,
"energy_above_hull": null,
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"energy_uncorrected": -162.87705674,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.274000Z",
"spacegroup": 1
},
{
"id": "mp-695209",
"created_at": "2022-09-04T14:46:19.545636Z",
"structure_string": "K4 Nb16 As4 O52\n1.0\n7.498781 0.000000 0.000000\n-0.000638 10.164270 0.000000\n-0.203375 -0.001394 14.994766\nK Nb As O\n4 16 4 52\ndirect\n0.948194 0.093590 0.974120 K\n0.946974 0.061753 0.473423 K\n0.054271 0.567009 0.027080 K\n0.053313 0.561884 0.526715 K\n0.944460 0.747731 0.300756 Nb\n0.943429 0.748404 0.800762 Nb\n0.677856 0.998249 0.164010 Nb\n0.672688 0.498900 0.161656 Nb\n0.676462 0.998540 0.664191 Nb\n0.671785 0.499032 0.661765 Nb\n0.601544 0.747815 0.472122 Nb\n0.601359 0.748344 0.971871 Nb\n0.399905 0.248318 0.028329 Nb\n0.399448 0.247940 0.528129 Nb\n0.329152 0.998395 0.338523 Nb\n0.323913 0.498908 0.336111 Nb\n0.327343 0.998435 0.838681 Nb\n0.323032 0.498981 0.836167 Nb\n0.056582 0.248137 0.200444 Nb\n0.056399 0.248104 0.699177 Nb\n0.663352 0.250969 0.331795 As\n0.661958 0.251724 0.830937 As\n0.337254 0.751110 0.168393 As\n0.336362 0.751147 0.668331 As\n0.887878 0.247401 0.316010 O\n0.886574 0.248381 0.815203 O\n0.862860 0.387089 0.147844 O\n0.861610 0.117922 0.148661 O\n0.861807 0.386900 0.648286 O\n0.860819 0.117101 0.647742 O\n0.837632 0.749772 0.418733 O\n0.836808 0.748044 0.918463 O\n0.809761 0.891437 0.254810 O\n0.808432 0.609769 0.253783 O\n0.808882 0.891969 0.754935 O\n0.807466 0.610449 0.753296 O\n0.704423 0.887521 0.068553 O\n0.704919 0.617857 0.069880 O\n0.703497 0.886773 0.569088 O\n0.704877 0.617081 0.569404 O\n0.631223 0.246710 0.443946 O\n0.631156 0.249066 0.943212 O\n0.567612 0.390447 0.283658 O\n0.567244 0.111519 0.283529 O\n0.565903 0.391059 0.783089 O\n0.566137 0.111947 0.783143 O\n0.510204 0.891711 0.404804 O\n0.507725 0.609983 0.403873 O\n0.509356 0.891765 0.904484 O\n0.506508 0.610199 0.904035 O\n0.491558 0.392409 0.095176 O\n0.494519 0.110688 0.096164 O\n0.490405 0.391893 0.595249 O\n0.492909 0.109991 0.596169 O\n0.433328 0.890736 0.216182 O\n0.433777 0.611702 0.216802 O\n0.431990 0.890677 0.716500 O\n0.432937 0.611734 0.716567 O\n0.369436 0.746909 0.056340 O\n0.369057 0.746760 0.556226 O\n0.297153 0.386754 0.431044 O\n0.295647 0.116926 0.430564 O\n0.295155 0.387296 0.931253 O\n0.297197 0.118076 0.930624 O\n0.190524 0.392423 0.245713 O\n0.192973 0.110396 0.246869 O\n0.190255 0.391809 0.745302 O\n0.191604 0.110312 0.746882 O\n0.164197 0.250975 0.082221 O\n0.162759 0.249828 0.581270 O\n0.138527 0.886753 0.351634 O\n0.139507 0.617206 0.352788 O\n0.136656 0.887508 0.852362 O\n0.139025 0.617781 0.852107 O\n0.112953 0.746445 0.184735 O\n0.112002 0.747224 0.684501 O\n",
"nsites": 76,
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"elements": [
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"Nb",
"As",
"O"
],
"chemical_system": "As-K-Nb-O",
"density": 4.031207674311595,
"density_atomic": 0.06649776306276986,
"volume": 1142.895587754743,
"volume_molar": 9.056155399265782,
"formula_full": "K4 Nb16 As4 O52",
"formula_reduced": "KNb4AsO13",
"formula_anonymous": "ABC4D13",
"energy": -653.27336247,
"energy_per_atom": -8.595702137763158,
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"total_magnetization": 3.96e-05,
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"updated_at": "2021-11-28T01:37:22.687000Z",
"spacegroup": 1
},
{
"id": "mp-720655",
"created_at": "2022-09-04T14:46:19.591691Z",
"structure_string": "Na4 Al2 Si6 Cl1 O24\n1.0\n8.403703 0.000000 0.000000\n-4.105380 8.223264 0.000000\n-2.399193 -3.732720 8.915497\nNa Al Si Cl O\n4 2 6 1 24\ndirect\n0.077810 0.933947 0.374056 Na\n0.426573 0.021299 0.044462 Na\n0.974597 0.661857 0.038184 Na\n0.963465 0.118973 0.713206 Na\n0.847483 0.597631 0.581436 Al\n0.405935 0.478368 0.580450 Al\n0.611469 0.359223 0.720691 Si\n0.033348 0.042784 0.086707 Si\n0.307980 0.551619 0.024421 Si\n0.814671 0.456258 0.256756 Si\n0.206585 0.583357 0.783213 Si\n0.107719 0.312472 0.261911 Si\n0.752483 0.891821 0.925334 Cl\n0.648628 0.514297 0.646008 O\n0.652454 0.097877 0.666901 O\n0.709171 0.412687 0.890639 O\n0.146285 0.945654 0.072934 O\n0.874993 0.821464 0.624372 O\n0.959430 0.375587 0.263746 O\n0.977958 0.802692 0.537482 O\n0.389410 0.968106 0.658361 O\n0.923893 0.644964 0.244343 O\n0.378804 0.943063 0.772748 O\n0.018107 0.102863 0.254482 O\n0.337816 0.595281 0.687513 O\n0.755287 0.450254 0.400235 O\n0.200894 0.132614 0.620213 O\n0.604700 0.312501 0.116009 O\n0.160977 0.412596 0.841311 O\n0.583814 0.988492 0.310610 O\n0.638506 0.212143 0.601434 O\n0.021580 0.592293 0.713079 O\n0.369620 0.288434 0.634408 O\n0.120449 0.250750 0.094111 O\n0.335460 0.722574 0.966184 O\n0.436152 0.885596 0.322659 O\n0.318491 0.442609 0.395392 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Na-O-Si",
"density": 1.9779256706518382,
"density_atomic": 0.060053902897172336,
"volume": 616.113161926436,
"volume_molar": 10.027892392458568,
"formula_full": "Na4 Al2 Si6 Cl1 O24",
"formula_reduced": "Na4Al2Si6ClO24",
"formula_anonymous": "AB2C4D6E24",
"energy": -230.67382949,
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"updated_at": "2021-11-28T01:37:26.729000Z",
"spacegroup": 1
},
{
"id": "mp-1233959",
"created_at": "2022-09-04T14:46:19.550317Z",
"structure_string": "Mg1 Fe10 O9 F11\n1.0\n4.902600 -0.239889 0.001804\n-0.239572 4.897955 -0.009668\n0.007043 -0.031763 15.300754\nMg Fe O F\n1 10 9 11\ndirect\n0.493490 0.996454 0.290346 Mg\n0.991345 0.990301 0.997178 Fe\n0.995380 0.997454 0.186181 Fe\n0.994933 0.990468 0.410118 Fe\n0.030855 0.017846 0.605262 Fe\n0.040296 0.012676 0.791343 Fe\n0.493472 0.496674 0.100818 Fe\n0.494060 0.483355 0.492512 Fe\n0.499766 0.496937 0.298277 Fe\n0.446891 0.529536 0.699912 Fe\n0.505209 0.468120 0.907326 Fe\n0.201698 0.807813 0.703794 O\n0.302214 0.280780 0.000950 O\n0.340241 0.251800 0.198828 O\n0.332136 0.240997 0.397191 O\n0.330402 0.322348 0.595899 O\n0.318383 0.319428 0.802975 O\n0.687140 0.699191 0.997672 O\n0.650092 0.742639 0.198342 O\n0.661991 0.742910 0.399931 O\n0.174827 0.765643 0.088992 F\n0.146162 0.772917 0.304668 F\n0.177922 0.767420 0.496536 F\n0.178535 0.812316 0.896940 F\n0.696505 0.720811 0.597155 F\n0.703779 0.711456 0.799735 F\n0.812493 0.222040 0.088257 F\n0.826161 0.231196 0.496864 F\n0.844864 0.212392 0.306041 F\n0.813898 0.190561 0.896956 F\n0.814862 0.205517 0.707167 F\n",
"nsites": 31,
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"elements": [
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"O",
"F"
],
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"density": 4.239249669635464,
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"volume": 366.5317500519709,
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"formula_full": "Mg1 Fe10 O9 F11",
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"energy": -216.59157455,
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},
{
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