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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=10251",
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"results": [
{
"id": "mp-760013",
"created_at": "2022-09-04T14:39:09.533198Z",
"structure_string": "Li9 V6 O12 F6\n1.0\n4.359393 2.521825 0.000000\n-4.359393 2.521825 0.000000\n0.000000 0.047999 14.890490\nLi V O F\n9 6 12 6\ndirect\n0.673837 0.326163 0.000000 Li\n0.665483 0.334517 0.500000 Li\n0.330753 0.669247 0.500000 Li\n0.332862 0.667138 0.000000 Li\n0.004555 0.667547 0.141624 Li\n0.668127 0.671107 0.856909 Li\n0.989564 0.010436 0.000000 Li\n0.332453 0.995445 0.858376 Li\n0.328893 0.331873 0.143091 Li\n0.680613 0.004809 0.667318 V\n0.995191 0.319387 0.332682 V\n0.001917 0.668369 0.668201 V\n0.671506 0.678472 0.332899 V\n0.331631 0.998083 0.331799 V\n0.321528 0.328494 0.667101 V\n0.656758 0.001334 0.408233 O\n0.660987 0.331991 0.734858 O\n0.668009 0.339013 0.265142 O\n0.998666 0.343242 0.591767 O\n0.343798 0.674695 0.735511 O\n0.325305 0.656202 0.264489 O\n0.999072 0.657284 0.405861 O\n0.658500 0.658296 0.593941 O\n0.006255 0.001510 0.261909 O\n0.998490 0.993745 0.738091 O\n0.342716 0.000928 0.594139 O\n0.341704 0.341500 0.406059 O\n0.649088 0.984886 0.921940 F\n0.015114 0.350912 0.078060 F\n0.000332 0.691349 0.920592 F\n0.669148 0.647857 0.080472 F\n0.308651 0.999668 0.079408 F\n0.352143 0.330852 0.919528 F\n",
"nsites": 33,
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"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.4189618662208936,
"density_atomic": 0.10079383897557015,
"volume": 327.4009635449877,
"volume_molar": 5.974711174022862,
"formula_full": "Li9 V6 O12 F6",
"formula_reduced": "Li3V2(O2F)2",
"formula_anonymous": "A2B2C3D4",
"energy": -230.2405822,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.0004842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.755000Z",
"spacegroup": 5
},
{
"id": "mp-1218541",
"created_at": "2022-09-04T14:39:09.649143Z",
"structure_string": "Sr3 Ca1 Sn16\n1.0\n-2.379727 7.063954 8.697994\n2.379727 -7.063954 8.697994\n2.379727 7.063954 -8.697994\nSr Ca Sn\n3 1 16\ndirect\n0.111894 0.611894 0.500000 Sr\n0.137614 0.387905 0.749709 Sr\n0.638196 0.387905 0.250291 Sr\n0.612108 0.612108 0.000000 Ca\n0.909995 0.409995 0.500000 Sn\n0.411540 0.411540 0.000000 Sn\n0.838727 0.590104 0.248623 Sn\n0.341482 0.590104 0.751377 Sn\n0.907086 0.802988 0.104098 Sn\n0.408794 0.804101 0.604693 Sn\n0.838350 0.194877 0.643473 Sn\n0.341760 0.195954 0.145806 Sn\n0.698889 0.802988 0.895902 Sn\n0.199408 0.804101 0.395307 Sn\n0.050148 0.195954 0.854194 Sn\n0.551405 0.194877 0.356527 Sn\n0.624738 0.001346 0.623392 Sn\n0.124806 0.999956 0.124850 Sn\n0.875106 0.999956 0.875150 Sn\n0.377955 0.001346 0.376608 Sn\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn-Sr",
"density": 6.252750307271153,
"density_atomic": 0.03419604658455203,
"volume": 584.8629300041644,
"volume_molar": 17.61063444895553,
"formula_full": "Sr3 Ca1 Sn16",
"formula_reduced": "Sr3CaSn16",
"formula_anonymous": "AB3C16",
"energy": -77.39679671,
"energy_per_atom": -3.8698398355,
"energy_above_hull": null,
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"energy_uncorrected": -77.39679671,
"band_gap": 0.0,
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"total_magnetization": 0.0039583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.728000Z",
"spacegroup": 44
},
{
"id": "mp-1178195",
"created_at": "2022-09-04T14:39:13.111829Z",
"structure_string": "K2 Fe22 O34\n1.0\n5.989815 -0.000942 0.006501\n-2.995721 5.189170 0.004178\n0.026033 0.034321 24.059021\nK Fe O\n2 22 34\ndirect\n0.332904 0.666205 0.750771 K\n0.665619 0.333751 0.250079 K\n0.167979 0.832127 0.606002 Fe\n0.168301 0.832584 0.893969 Fe\n0.334561 0.665461 0.175103 Fe\n0.335179 0.667458 0.026192 Fe\n0.999949 0.000121 0.000376 Fe\n0.333443 0.663278 0.324674 Fe\n0.999662 0.999794 0.499517 Fe\n0.167753 0.335944 0.605845 Fe\n0.168521 0.335541 0.893923 Fe\n0.331746 0.665203 0.473501 Fe\n0.664018 0.832255 0.605947 Fe\n0.665196 0.832312 0.893846 Fe\n0.332998 0.165736 0.102353 Fe\n0.336594 0.171167 0.392283 Fe\n0.830144 0.664175 0.107430 Fe\n0.665403 0.332701 0.675010 Fe\n0.834559 0.668049 0.397855 Fe\n0.667145 0.333603 0.824936 Fe\n0.664883 0.332263 0.975505 Fe\n0.667858 0.335430 0.524374 Fe\n0.829310 0.164954 0.107617 Fe\n0.834462 0.170613 0.392104 Fe\n0.163000 0.850093 0.051986 O\n0.148551 0.836822 0.448012 O\n0.007503 0.503421 0.646994 O\n0.008058 0.504029 0.853863 O\n0.334281 0.667397 0.250236 O\n0.009677 0.004571 0.142397 O\n0.163096 0.312517 0.051899 O\n0.995550 0.989936 0.357375 O\n0.999833 0.000102 0.643456 O\n0.156104 0.312135 0.448891 O\n0.000210 0.000155 0.856507 O\n0.497443 0.993464 0.852534 O\n0.495378 0.991246 0.646932 O\n0.333274 0.667008 0.554554 O\n0.334286 0.666980 0.945326 O\n0.313885 0.156003 0.550180 O\n0.313489 0.156660 0.949245 O\n0.494945 0.503806 0.646754 O\n0.497226 0.504209 0.852296 O\n0.514304 0.505636 0.353917 O\n0.494054 0.486824 0.145412 O\n0.688149 0.844386 0.051337 O\n0.687318 0.837845 0.448421 O\n0.661268 0.330638 0.056212 O\n0.668775 0.339373 0.443864 O\n0.503442 0.006930 0.353201 O\n0.495717 0.007369 0.146294 O\n0.843380 0.686780 0.550894 O\n0.843522 0.686262 0.949969 O\n0.663563 0.333036 0.750586 O\n0.992429 0.496160 0.147103 O\n0.994215 0.503821 0.353898 O\n0.842407 0.156660 0.550325 O\n0.843482 0.157202 0.949914 O\n",
"nsites": 58,
"nelements": 3,
"elements": [
"K",
"Fe",
"O"
],
"chemical_system": "Fe-K-O",
"density": 4.110098470276678,
"density_atomic": 0.07756745876238641,
"volume": 747.7362404983808,
"volume_molar": 7.7637463648870035,
"formula_full": "K2 Fe22 O34",
"formula_reduced": "KFe11O17",
"formula_anonymous": "AB11C17",
"energy": -451.26715388,
"energy_per_atom": -7.780468170344828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -378.27715388,
"band_gap": 1.1288,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 109.9999502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.739000Z",
"spacegroup": 5
},
{
"id": "mp-1046321",
"created_at": "2022-09-04T14:39:13.123127Z",
"structure_string": "Ca4 Cr4 O8\n1.0\n3.112151 0.000000 0.000000\n0.000000 8.269311 0.000000\n0.000000 0.979260 8.445495\nCa Cr O\n4 4 8\ndirect\n0.750000 0.426156 0.180350 Ca\n0.250000 0.573844 0.819650 Ca\n0.750000 0.686066 0.458807 Ca\n0.250000 0.313934 0.541193 Ca\n0.750000 0.214447 0.895074 Cr\n0.250000 0.056019 0.297803 Cr\n0.750000 0.943981 0.702197 Cr\n0.250000 0.785553 0.104926 Cr\n0.750000 0.674713 0.995467 O\n0.250000 0.103009 0.767202 O\n0.750000 0.896991 0.232798 O\n0.250000 0.325287 0.004533 O\n0.750000 0.461565 0.665334 O\n0.750000 0.191416 0.375481 O\n0.250000 0.538435 0.334666 O\n0.250000 0.808584 0.624519 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 3.791673442839296,
"density_atomic": 0.07361475776458193,
"volume": 217.34772328080712,
"volume_molar": 8.180616146640935,
"formula_full": "Ca4 Cr4 O8",
"formula_reduced": "CaCrO2",
"formula_anonymous": "ABC2",
"energy": -127.30806812,
"energy_per_atom": -7.9567542575,
"energy_above_hull": null,
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"band_gap": 1.6415999999999995,
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"updated_at": "2021-11-28T01:34:32.154000Z",
"spacegroup": 11
},
{
"id": "mp-758719",
"created_at": "2022-09-04T14:39:13.135030Z",
"structure_string": "Li8 V4 Fe6 O20\n1.0\n6.061755 -5.021501 0.067068\n4.260879 5.083161 -0.067706\n-1.453039 -3.027115 7.237402\nLi V Fe O\n8 4 6 20\ndirect\n0.153100 0.060778 0.406535 Li\n0.048126 0.345410 0.783970 Li\n0.996892 0.495061 0.491408 Li\n0.503108 0.004939 0.508592 Li\n0.451874 0.154590 0.216030 Li\n0.346900 0.439222 0.593465 Li\n0.655710 0.562201 0.402723 Li\n0.844290 0.937799 0.597277 Li\n0.285664 0.602987 0.303358 V\n0.214336 0.897013 0.696642 V\n0.800355 0.088059 0.313058 V\n0.699645 0.411941 0.686942 V\n0.091789 0.217492 0.109223 Fe\n0.408211 0.282508 0.890777 Fe\n0.250000 0.750000 0.000000 Fe\n0.750000 0.250000 0.000000 Fe\n0.606898 0.708544 0.096830 Fe\n0.893102 0.791456 0.903170 Fe\n0.311134 0.024120 0.942433 O\n0.277638 0.165316 0.666604 O\n0.222362 0.334684 0.333396 O\n0.135611 0.645138 0.766483 O\n0.188866 0.475880 0.057567 O\n0.100473 0.775882 0.461270 O\n0.631950 0.162174 0.750828 O\n0.027463 0.937906 0.143426 O\n0.592361 0.278554 0.460299 O\n0.472537 0.562094 0.856574 O\n0.506500 0.440829 0.155762 O\n0.399527 0.724118 0.538730 O\n0.993500 0.059171 0.844238 O\n0.364389 0.854862 0.233517 O\n0.907639 0.221446 0.539701 O\n0.814610 0.510697 0.926447 O\n0.868050 0.337826 0.249172 O\n0.777909 0.656809 0.659918 O\n0.722091 0.843191 0.340082 O\n0.685390 0.989303 0.073553 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.0407578622755675,
"density_atomic": 0.10113090801137417,
"volume": 375.7506062906718,
"volume_molar": 5.954797478257281,
"formula_full": "Li8 V4 Fe6 O20",
"formula_reduced": "Li4V2Fe3O10",
"formula_anonymous": "A2B3C4D10",
"energy": -281.85443565,
"energy_per_atom": -7.417221990789474,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:33.100000Z",
"spacegroup": 2
},
{
"id": "mp-669345",
"created_at": "2022-09-04T14:39:13.138871Z",
"structure_string": "Ta4 Te4 Cl36\n1.0\n3.340280 11.325723 0.000000\n-3.340280 11.325723 0.000000\n0.000000 5.865950 19.213926\nTa Te Cl\n4 4 36\ndirect\n0.442394 0.848071 0.625739 Ta\n0.151929 0.557606 0.874261 Ta\n0.557606 0.151929 0.374261 Ta\n0.848071 0.442394 0.125739 Ta\n0.278967 0.884770 0.839855 Te\n0.721033 0.115230 0.160145 Te\n0.115230 0.721033 0.660145 Te\n0.884770 0.278967 0.339855 Te\n0.778306 0.867297 0.173870 Cl\n0.896907 0.049401 0.596909 Cl\n0.051989 0.121050 0.205499 Cl\n0.102162 0.365895 0.128025 Cl\n0.985986 0.739386 0.969593 Cl\n0.403724 0.504932 0.860263 Cl\n0.479923 0.696645 0.936135 Cl\n0.365895 0.102162 0.628025 Cl\n0.596276 0.495068 0.139737 Cl\n0.303355 0.520077 0.563865 Cl\n0.867297 0.778306 0.673870 Cl\n0.634105 0.897838 0.371975 Cl\n0.260614 0.014014 0.530407 Cl\n0.221694 0.132703 0.826130 Cl\n0.897838 0.634105 0.871975 Cl\n0.624724 0.765720 0.066096 Cl\n0.696645 0.479923 0.436135 Cl\n0.950599 0.103093 0.903091 Cl\n0.670034 0.620809 0.235422 Cl\n0.620809 0.670034 0.735422 Cl\n0.103093 0.950599 0.403091 Cl\n0.495068 0.596276 0.639737 Cl\n0.379191 0.329966 0.264578 Cl\n0.739386 0.985986 0.469593 Cl\n0.049401 0.896907 0.096909 Cl\n0.014014 0.260614 0.030407 Cl\n0.948011 0.878950 0.794501 Cl\n0.878950 0.948011 0.294501 Cl\n0.504932 0.403724 0.360263 Cl\n0.765720 0.624724 0.566096 Cl\n0.329966 0.379191 0.764578 Cl\n0.234280 0.375276 0.433904 Cl\n0.121050 0.051989 0.705499 Cl\n0.520077 0.303355 0.063865 Cl\n0.375276 0.234280 0.933904 Cl\n0.132703 0.221694 0.326130 Cl\n",
"nsites": 44,
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"elements": [
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"Te",
"Cl"
],
"chemical_system": "Cl-Ta-Te",
"density": 2.867571939140547,
"density_atomic": 0.030266190290589072,
"volume": 1453.767374669593,
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"formula_full": "Ta4 Te4 Cl36",
"formula_reduced": "TaTeCl9",
"formula_anonymous": "ABC9",
"energy": -193.08105022,
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"updated_at": "2021-11-28T01:34:39.748000Z",
"spacegroup": 15
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{
"id": "mp-1216468",
"created_at": "2022-09-04T14:39:13.159865Z",
"structure_string": "V3 Si2 Mo3\n1.0\n-0.004594 4.809521 -0.004594\n0.004594 -0.004594 4.809521\n4.809521 -0.004594 0.004594\nV Si Mo\n3 2 3\ndirect\n0.499292 0.250000 0.999292 V\n0.750000 0.999292 0.500708 V\n0.000708 0.500708 0.250000 V\n0.505503 0.494497 0.494497 Si\n0.994497 0.005503 0.005503 Si\n0.500146 0.750000 0.000146 Mo\n0.250000 0.000146 0.499854 Mo\n0.999854 0.499854 0.750000 Mo\n",
"nsites": 8,
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"elements": [
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"Si",
"Mo"
],
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"density": 7.415491581318798,
"density_atomic": 0.07190940560063741,
"volume": 111.25109341647914,
"volume_molar": 8.374621803224333,
"formula_full": "V3 Si2 Mo3",
"formula_reduced": "V3Si2Mo3",
"formula_anonymous": "A2B3C3",
"energy": -74.47226201,
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"updated_at": "2021-11-28T01:34:41.277000Z",
"spacegroup": 155
},
{
"id": "mp-1206982",
"created_at": "2022-09-04T14:39:13.491488Z",
"structure_string": "Sb1 Pb1\n1.0\n0.000000 3.179510 3.179510\n3.179510 0.000000 3.179510\n3.179510 3.179510 0.000000\nSb Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Pb-Sb",
"density": 8.497312867052623,
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"volume": 64.2851381248727,
"volume_molar": 19.356707528201294,
"formula_full": "Sb1 Pb1",
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"energy": -7.87155297,
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{
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