HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10404",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10402",
"results": [
{
"id": "mp-1245152",
"created_at": "2022-09-04T14:39:44.402159Z",
"structure_string": "Al100\n1.0\n12.271583 -0.270045 -0.260587\n-0.260058 12.094109 -0.644981\n-0.253048 -0.661060 11.882502\nAl\n100\ndirect\n0.100790 0.757599 0.283118 Al\n0.365682 0.118487 0.313854 Al\n0.605608 0.532973 0.617310 Al\n0.517286 0.938473 0.903441 Al\n0.797080 0.236834 0.984503 Al\n0.743126 0.851245 0.030550 Al\n0.944013 0.300748 0.377924 Al\n0.487567 0.126633 0.718097 Al\n0.015966 0.499685 0.272669 Al\n0.071995 0.088031 0.983031 Al\n0.201834 0.261276 0.908226 Al\n0.712173 0.549718 0.158679 Al\n0.718209 0.643727 0.862664 Al\n0.309102 0.294013 0.460353 Al\n0.134729 0.076537 0.760537 Al\n0.562313 0.665337 0.026281 Al\n0.150654 0.437885 0.428310 Al\n0.200812 0.379109 0.690213 Al\n0.730540 0.993934 0.263585 Al\n0.989322 0.250982 0.137997 Al\n0.461496 0.710943 0.574266 Al\n0.623443 0.314616 0.714555 Al\n0.199076 0.914392 0.898652 Al\n0.354326 0.350658 0.254956 Al\n0.100358 0.240313 0.526485 Al\n0.710505 0.435661 0.946747 Al\n0.884859 0.041692 0.096273 Al\n0.169727 0.037835 0.426370 Al\n0.974486 0.078864 0.585884 Al\n0.323443 0.552838 0.816156 Al\n0.405383 0.528995 0.417856 Al\n0.407485 0.731330 0.190467 Al\n0.791257 0.142864 0.460899 Al\n0.273699 0.747951 0.734605 Al\n0.373756 0.764854 0.955686 Al\n0.681022 0.762427 0.219667 Al\n0.250883 0.178314 0.108796 Al\n0.567560 0.249109 0.932122 Al\n0.868501 0.669178 0.051229 Al\n0.786713 0.213697 0.221173 Al\n0.179486 0.884197 0.583299 Al\n0.402400 0.363531 0.035800 Al\n0.781772 0.974314 0.626490 Al\n0.073906 0.601726 0.089123 Al\n0.555424 0.912916 0.669609 Al\n0.998635 0.863411 0.002465 Al\n0.241732 0.568257 0.264438 Al\n0.567256 0.386762 0.407273 Al\n0.870035 0.658312 0.325640 Al\n0.971391 0.374422 0.664180 Al\n0.992353 0.901033 0.710624 Al\n0.497438 0.206816 0.518965 Al\n0.098923 0.670119 0.481196 Al\n0.620197 0.342069 0.156720 Al\n0.689053 0.740423 0.607574 Al\n0.519204 0.718649 0.794577 Al\n0.900682 0.438964 0.077135 Al\n0.423909 0.416967 0.624137 Al\n0.297728 0.902761 0.291513 Al\n0.386004 0.968448 0.508154 Al\n0.118599 0.996279 0.186034 Al\n0.474168 0.161371 0.120848 Al\n0.128111 0.693979 0.893049 Al\n0.886303 0.047056 0.855694 Al\n0.305058 0.566572 0.042959 Al\n0.677283 0.087015 0.809260 Al\n0.520975 0.821007 0.381832 Al\n0.339776 0.972594 0.084482 Al\n0.300590 0.741595 0.426418 Al\n0.344052 0.956331 0.733107 Al\n0.820380 0.212276 0.699981 Al\n0.909564 0.503697 0.865656 Al\n0.817429 0.551530 0.672567 Al\n0.730503 0.864735 0.811103 Al\n0.907054 0.854605 0.218976 Al\n0.540615 0.911312 0.141829 Al\n0.608608 0.015106 0.478625 Al\n0.917559 0.728716 0.816800 Al\n0.268532 0.568874 0.588061 Al\n0.125909 0.465256 0.896159 Al\n0.145376 0.222697 0.300384 Al\n0.204132 0.790775 0.096247 Al\n0.385699 0.310606 0.807146 Al\n0.064154 0.588561 0.690254 Al\n0.935110 0.507950 0.488713 Al\n0.765704 0.841550 0.425735 Al\n0.903616 0.723863 0.572945 Al\n0.363459 0.111867 0.911780 Al\n0.631261 0.622173 0.393632 Al\n0.491392 0.528266 0.201682 Al\n0.991026 0.880310 0.449245 Al\n0.983097 0.272511 0.870581 Al\n0.757741 0.356920 0.539318 Al\n0.592891 0.170311 0.317999 Al\n0.664686 0.069426 0.044268 Al\n0.775464 0.435253 0.327305 Al\n0.531420 0.493857 0.838653 Al\n0.955577 0.069459 0.333110 Al\n0.285200 0.154535 0.628745 Al\n0.168304 0.391094 0.113497 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.5506397933873206,
"density_atomic": 0.056928969458932034,
"volume": 1756.57492047417,
"volume_molar": 10.578341426581257,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -364.34942792,
"energy_per_atom": -3.6434942792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -364.34942792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.947000Z",
"spacegroup": 1
},
{
"id": "mp-541021",
"created_at": "2022-09-04T14:39:37.662764Z",
"structure_string": "Sb4 As4 Pd20\n1.0\n0.000000 6.209633 6.209633\n6.209633 0.000000 6.209633\n6.209633 6.209633 0.000000\nSb As Pd\n4 4 20\ndirect\n0.625000 0.625000 0.625000 Sb\n0.125000 0.625000 0.625000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.125000 Sb\n0.125000 0.125000 0.125000 As\n0.625000 0.125000 0.125000 As\n0.125000 0.625000 0.125000 As\n0.125000 0.125000 0.625000 As\n0.785800 0.214200 0.785800 Pd\n0.035800 0.464200 0.464200 Pd\n0.464200 0.035800 0.035800 Pd\n0.035800 0.464200 0.035800 Pd\n0.464200 0.464200 0.035800 Pd\n0.035800 0.035800 0.464200 Pd\n0.785800 0.785800 0.214200 Pd\n0.214200 0.785800 0.785800 Pd\n0.785800 0.214200 0.214200 Pd\n0.214200 0.214200 0.785800 Pd\n0.464200 0.035800 0.464200 Pd\n0.214200 0.785800 0.214200 Pd\n0.839356 0.839356 0.839356 Pd\n0.768067 0.410644 0.410644 Pd\n0.410644 0.768067 0.410644 Pd\n0.410644 0.410644 0.768067 Pd\n0.839356 0.481933 0.839356 Pd\n0.839356 0.839356 0.481933 Pd\n0.481933 0.839356 0.839356 Pd\n0.410644 0.410644 0.410644 Pd\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sb",
"As",
"Pd"
],
"chemical_system": "As-Pd-Sb",
"density": 10.108313255175027,
"density_atomic": 0.058469615180888376,
"volume": 478.8812088702133,
"volume_molar": 10.299607311197803,
"formula_full": "Sb4 As4 Pd20",
"formula_reduced": "SbAsPd5",
"formula_anonymous": "ABC5",
"energy": -149.39519109,
"energy_per_atom": -5.335542538928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.39519109,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097567,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.954000Z",
"spacegroup": 227
},
{
"id": "mp-1227952",
"created_at": "2022-09-04T14:39:37.672153Z",
"structure_string": "Ce3 Ga6 Ni9\n1.0\n4.410435 -7.639097 0.000000\n4.410435 7.639097 0.000000\n0.000000 0.000000 4.143692\nCe Ga Ni\n3 6 9\ndirect\n0.666667 0.333333 0.500000 Ce\n0.333333 0.666667 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.490259 0.490259 0.000000 Ga\n0.509741 0.000000 0.000000 Ga\n0.000000 0.509741 0.000000 Ga\n0.721539 0.721539 0.500000 Ga\n0.278461 0.000000 0.500000 Ga\n0.000000 0.278461 0.500000 Ga\n0.822602 0.187826 0.000000 Ni\n0.812174 0.634776 0.000000 Ni\n0.365224 0.177398 0.000000 Ni\n0.187826 0.822602 0.000000 Ni\n0.634776 0.812174 0.000000 Ni\n0.177398 0.365224 0.000000 Ni\n0.291187 0.291187 0.500000 Ni\n0.708813 0.000000 0.500000 Ni\n0.000000 0.708813 0.500000 Ni\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Ni"
],
"chemical_system": "Ce-Ga-Ni",
"density": 8.129304273420857,
"density_atomic": 0.06446612886031365,
"volume": 279.21639344907334,
"volume_molar": 9.34155791027701,
"formula_full": "Ce3 Ga6 Ni9",
"formula_reduced": "CeGa2Ni3",
"formula_anonymous": "AB2C3",
"energy": -97.22267541,
"energy_per_atom": -5.401259745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.22267541,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3538815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.463000Z",
"spacegroup": 189
},
{
"id": "mp-12665",
"created_at": "2022-09-04T14:39:37.721325Z",
"structure_string": "Be12 Ag1\n1.0\n-3.681396 3.681396 2.131530\n3.681396 -3.681396 2.131530\n3.681396 3.681396 -2.131530\nBe Ag\n12 1\ndirect\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.353215 0.353215 Be\n0.646785 0.000000 0.646785 Be\n0.353215 0.000000 0.353215 Be\n0.000000 0.646785 0.646785 Be\n0.500000 0.265501 0.765501 Be\n0.734499 0.500000 0.234499 Be\n0.265501 0.500000 0.765501 Be\n0.500000 0.734499 0.234499 Be\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Ag"
],
"chemical_system": "Ag-Be",
"density": 3.1042397476967825,
"density_atomic": 0.11250370871525102,
"volume": 115.55174623534627,
"volume_molar": 5.352837545331195,
"formula_full": "Be12 Ag1",
"formula_reduced": "Be12Ag",
"formula_anonymous": "AB12",
"energy": -46.27390409,
"energy_per_atom": -3.559531083846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.27390409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0734455,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.680000Z",
"spacegroup": 139
},
{
"id": "mp-1183691",
"created_at": "2022-09-04T14:39:37.734981Z",
"structure_string": "Cr1 N1\n1.0\n1.341337 -2.323263 0.000000\n1.341337 2.323263 0.000000\n0.000000 0.000000 2.600186\nCr N\n1 1\ndirect\n0.666667 0.333333 0.500000 Cr\n0.333333 0.666667 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 6.763021459578051,
"density_atomic": 0.12341254373012768,
"volume": 16.20580809332882,
"volume_molar": 4.879682873378668,
"formula_full": "Cr1 N1",
"formula_reduced": "CrN",
"formula_anonymous": "AB",
"energy": -19.37261583,
"energy_per_atom": -9.686307915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.01161583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.070937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.829000Z",
"spacegroup": 187
},
{
"id": "mp-766523",
"created_at": "2022-09-04T14:39:37.854783Z",
"structure_string": "Li4 Co8 P8 O32\n1.0\n5.155195 0.000000 0.000000\n0.000000 8.480143 0.000000\n0.000000 3.276412 16.411243\nLi Co P O\n4 8 8 32\ndirect\n0.327139 0.003617 0.251069 Li\n0.672861 0.003617 0.751069 Li\n0.830763 0.608134 0.491722 Li\n0.169237 0.608134 0.991722 Li\n0.326171 0.365278 0.127939 Co\n0.673829 0.365278 0.627939 Co\n0.187152 0.469697 0.365021 Co\n0.812848 0.469697 0.865021 Co\n0.691015 0.876908 0.116071 Co\n0.308985 0.876908 0.616071 Co\n0.825948 0.978823 0.374902 Co\n0.174052 0.978823 0.874902 Co\n0.814082 0.177064 0.187493 P\n0.185918 0.177064 0.687493 P\n0.691956 0.297527 0.435614 P\n0.308044 0.297527 0.935614 P\n0.190948 0.687148 0.180639 P\n0.809052 0.687148 0.680639 P\n0.317887 0.788126 0.431779 P\n0.682113 0.788126 0.931779 P\n0.753313 0.089784 0.114275 O\n0.698718 0.064697 0.264023 O\n0.111701 0.194847 0.197161 O\n0.777607 0.122077 0.450543 O\n0.246687 0.089784 0.614275 O\n0.301282 0.064697 0.764023 O\n0.276613 0.375489 0.010718 O\n0.681080 0.341256 0.168372 O\n0.398681 0.305188 0.409714 O\n0.888299 0.194847 0.697161 O\n0.222393 0.122077 0.950543 O\n0.842060 0.406213 0.364267 O\n0.723387 0.375489 0.510718 O\n0.318920 0.341256 0.668372 O\n0.601319 0.305188 0.909714 O\n0.238906 0.601991 0.108460 O\n0.270198 0.571182 0.259965 O\n0.157940 0.406213 0.864267 O\n0.901380 0.732443 0.186356 O\n0.189626 0.618208 0.438809 O\n0.761094 0.601991 0.608460 O\n0.729802 0.571182 0.759965 O\n0.752965 0.841857 0.012498 O\n0.356865 0.845036 0.169924 O\n0.613839 0.779357 0.419568 O\n0.098620 0.732443 0.686356 O\n0.810374 0.618208 0.938809 O\n0.191069 0.907686 0.360414 O\n0.247035 0.841857 0.512498 O\n0.643135 0.845036 0.669924 O\n0.386161 0.779357 0.919568 O\n0.808931 0.907686 0.860414 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.913971067990982,
"density_atomic": 0.07247923389948518,
"volume": 717.4468768821984,
"volume_molar": 8.308780923859594,
"formula_full": "Li4 Co8 P8 O32",
"formula_reduced": "LiCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -383.25744182,
"energy_per_atom": -7.370335419615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -348.16944182,
"band_gap": 0.4337999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.196000Z",
"spacegroup": 7
},
{
"id": "mp-21810",
"created_at": "2022-09-04T14:39:37.913449Z",
"structure_string": "Tm10 Ge20 Rh8\n1.0\n13.011580 0.000000 0.000000\n0.000000 13.011580 0.000000\n0.000000 0.000000 4.268218\nTm Ge Rh\n10 20 8\ndirect\n0.113306 0.613306 0.500000 Tm\n0.613306 0.886694 0.500000 Tm\n0.386694 0.113306 0.500000 Tm\n0.886694 0.386694 0.500000 Tm\n0.326128 0.826128 0.500000 Tm\n0.826128 0.673872 0.500000 Tm\n0.173872 0.326128 0.500000 Tm\n0.673872 0.173872 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Tm\n0.343553 0.495755 0.500000 Ge\n0.656447 0.504245 0.500000 Ge\n0.504245 0.343553 0.500000 Ge\n0.495755 0.656447 0.500000 Ge\n0.995755 0.843553 0.500000 Ge\n0.843553 0.004245 0.500000 Ge\n0.156447 0.995755 0.500000 Ge\n0.004245 0.156447 0.500000 Ge\n0.337338 0.299965 0.000000 Ge\n0.662662 0.700035 0.000000 Ge\n0.700035 0.337338 0.000000 Ge\n0.299965 0.662662 0.000000 Ge\n0.799965 0.837338 0.000000 Ge\n0.837338 0.200035 0.000000 Ge\n0.162662 0.799965 0.000000 Ge\n0.200035 0.162662 0.000000 Ge\n0.433201 0.933201 0.000000 Ge\n0.933201 0.566799 0.000000 Ge\n0.566799 0.066799 0.000000 Ge\n0.066799 0.433201 0.000000 Ge\n0.246144 0.979376 0.000000 Rh\n0.753856 0.020624 0.000000 Rh\n0.020624 0.246144 0.000000 Rh\n0.979376 0.753856 0.000000 Rh\n0.479376 0.746144 0.000000 Rh\n0.746144 0.520624 0.000000 Rh\n0.253856 0.479376 0.000000 Rh\n0.520624 0.253856 0.000000 Rh\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Tm",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Tm",
"density": 9.112297953524102,
"density_atomic": 0.05258682265017129,
"volume": 722.6144894281082,
"volume_molar": 11.451805711977892,
"formula_full": "Tm10 Ge20 Rh8",
"formula_reduced": "Tm5(Ge5Rh2)2",
"formula_anonymous": "A4B5C10",
"energy": -225.843731,
"energy_per_atom": -5.9432560789473685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.843731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0178864,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.609000Z",
"spacegroup": 127
},
{
"id": "mp-758041",
"created_at": "2022-09-04T14:39:37.972408Z",
"structure_string": "Li6 V2 C6 O18\n1.0\n3.717770 -4.683670 0.000000\n3.717770 4.683670 0.000000\n0.000000 0.000000 10.223785\nLi V C O\n6 2 6 18\ndirect\n0.105550 0.105550 0.000000 Li\n0.357070 0.397931 0.250000 Li\n0.168186 0.724836 0.250000 Li\n0.105550 0.105550 0.500000 Li\n0.724836 0.168186 0.750000 Li\n0.397931 0.357070 0.750000 Li\n0.682656 0.112917 0.250000 V\n0.112917 0.682656 0.750000 V\n0.574254 0.159287 0.015995 C\n0.742459 0.709284 0.250000 C\n0.574254 0.159287 0.484005 C\n0.159287 0.574254 0.515995 C\n0.709284 0.742459 0.750000 C\n0.159287 0.574254 0.984005 C\n0.776122 0.132086 0.052967 O\n0.429306 0.153840 0.115181 O\n0.183846 0.517940 0.100669 O\n0.765564 0.504057 0.250000 O\n0.918244 0.889152 0.250000 O\n0.542394 0.763106 0.250000 O\n0.183846 0.517940 0.399331 O\n0.429306 0.153840 0.384819 O\n0.776122 0.132086 0.447033 O\n0.132086 0.776122 0.552967 O\n0.153840 0.429306 0.615181 O\n0.517940 0.183846 0.600669 O\n0.763106 0.542394 0.750000 O\n0.504057 0.765564 0.750000 O\n0.889152 0.918244 0.750000 O\n0.517940 0.183846 0.899331 O\n0.153840 0.429306 0.884819 O\n0.132086 0.776122 0.947033 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.348600399180341,
"density_atomic": 0.08987511682850824,
"volume": 356.0496067121623,
"volume_molar": 6.7005651536352575,
"formula_full": "Li6 V2 C6 O18",
"formula_reduced": "Li3V(CO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -242.33012522,
"energy_per_atom": -7.572816413125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.56412522,
"band_gap": 2.6147,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0001764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.756000Z",
"spacegroup": 40
},
{
"id": "mp-1101098",
"created_at": "2022-09-04T14:39:37.722468Z",
"structure_string": "Ti8 Cr2 Te16\n1.0\n6.843336 0.000000 3.421668\n-3.419784 6.645745 -1.714602\n-2.394399 -0.068469 13.342968\nTi Cr Te\n8 2 16\ndirect\n0.004994 0.494096 0.000071 Ti\n0.015373 0.014976 0.999671 Ti\n0.484627 0.485024 0.000329 Ti\n0.260969 0.505904 0.499929 Ti\n0.495006 0.005904 0.999929 Ti\n0.239031 0.994096 0.500071 Ti\n0.749932 0.514976 0.499671 Ti\n0.750068 0.985024 0.500329 Ti\n0.121010 0.500000 0.750000 Cr\n0.378990 0.000000 0.250000 Cr\n0.096826 0.831476 0.130063 Te\n0.099422 0.333525 0.134961 Te\n0.146225 0.660734 0.369002 Te\n0.606899 0.832939 0.124211 Te\n0.353775 0.839266 0.630998 Te\n0.145413 0.168524 0.369937 Te\n0.604494 0.339266 0.130998 Te\n0.650857 0.666475 0.365039 Te\n0.354587 0.331476 0.630063 Te\n0.403174 0.668524 0.869937 Te\n0.648170 0.167061 0.375789 Te\n0.400578 0.166475 0.865039 Te\n0.849143 0.833525 0.634961 Te\n0.851830 0.332939 0.624211 Te\n0.893101 0.667061 0.875789 Te\n0.895506 0.160734 0.869002 Te\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Te"
],
"chemical_system": "Cr-Te-Ti",
"density": 6.349468921300807,
"density_atomic": 0.03931822021292285,
"volume": 661.2710305603939,
"volume_molar": 15.316412409788285,
"formula_full": "Ti8 Cr2 Te16",
"formula_reduced": "Ti4CrTe8",
"formula_anonymous": "AB4C8",
"energy": -155.69560545000002,
"energy_per_atom": -5.988292517307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.94360545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.884292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.567000Z",
"spacegroup": 15
},
{
"id": "mp-4176",
"created_at": "2022-09-04T14:39:37.826746Z",
"structure_string": "La1 Si2 Pt2\n1.0\n-2.152709 2.152709 5.001433\n2.152709 -2.152709 5.001433\n2.152709 2.152709 -5.001433\nLa Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.622755 0.622755 0.000000 Si\n0.377245 0.377245 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Si",
"Pt"
],
"chemical_system": "La-Pt-Si",
"density": 10.482414205014086,
"density_atomic": 0.053931798679817955,
"volume": 92.70968375603373,
"volume_molar": 11.166215307878412,
"formula_full": "La1 Si2 Pt2",
"formula_reduced": "La(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -32.941089379999994,
"energy_per_atom": -6.588217875999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.08308938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.92e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.955000Z",
"spacegroup": 139
},
{
"id": "mp-867181",
"created_at": "2022-09-04T14:39:37.839782Z",
"structure_string": "Sm1 Mg1 Hg2\n1.0\n0.000000 3.640956 3.640956\n3.640956 0.000000 3.640956\n3.640956 3.640956 0.000000\nSm Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Sm",
"density": 9.90554579572631,
"density_atomic": 0.04143656095449623,
"volume": 96.5331076677097,
"volume_molar": 14.533399059379578,
"formula_full": "Sm1 Mg1 Hg2",
"formula_reduced": "SmMgHg2",
"formula_anonymous": "ABC2",
"energy": -8.80694288,
"energy_per_atom": -2.20173572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.80694288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.301000Z",
"spacegroup": 225
},
{
"id": "mp-1226435",
"created_at": "2022-09-04T14:39:37.913522Z",
"structure_string": "Co3 Re1 B4\n1.0\n3.031954 0.000000 0.000000\n0.000000 4.125951 0.000000\n0.000000 0.133366 5.413195\nCo Re B\n3 1 4\ndirect\n0.000000 0.869769 0.826538 Co\n0.500000 0.371564 0.679922 Co\n0.500000 0.127181 0.173737 Co\n0.000000 0.630626 0.320784 Re\n0.000000 0.128356 0.479608 B\n0.000000 0.366901 0.955294 B\n0.500000 0.900093 0.549691 B\n0.500000 0.605509 0.014426 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Re",
"B"
],
"chemical_system": "B-Co-Re",
"density": 9.961913143465894,
"density_atomic": 0.11813800727859168,
"volume": 67.71741105412835,
"volume_molar": 5.097547265884261,
"formula_full": "Co3 Re1 B4",
"formula_reduced": "Co3ReB4",
"formula_anonymous": "AB3C4",
"energy": -62.91206837,
"energy_per_atom": -7.86400854625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.91206837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.971000Z",
"spacegroup": 6
}
]
}