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=nelements&page=52",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=50",
"results": [
{
"id": "mp-96",
"created_at": "2022-09-04T14:48:02.822061Z",
"structure_string": "S32\n1.0\n13.642061 0.000000 0.000000\n0.000000 9.248054 0.000000\n0.000000 5.934658 9.138989\nS\n32\ndirect\n0.349590 0.367214 0.317765 S\n0.349590 0.632786 0.182235 S\n0.650410 0.632786 0.682235 S\n0.650410 0.367214 0.817765 S\n0.577263 0.215795 0.340501 S\n0.577263 0.784205 0.159499 S\n0.422737 0.784205 0.659499 S\n0.422737 0.215795 0.840501 S\n0.444169 0.266869 0.234889 S\n0.444169 0.733131 0.265111 S\n0.555831 0.733131 0.765111 S\n0.555831 0.266869 0.734889 S\n0.672253 0.417554 0.213923 S\n0.672253 0.582446 0.286077 S\n0.327747 0.582446 0.786077 S\n0.327747 0.417554 0.713923 S\n0.798165 0.917615 0.862385 S\n0.798165 0.082385 0.637615 S\n0.201835 0.082385 0.137615 S\n0.201835 0.917615 0.362385 S\n0.025918 0.765891 0.980284 S\n0.025918 0.234109 0.519716 S\n0.974082 0.234109 0.019716 S\n0.974082 0.765891 0.480284 S\n0.892668 0.715643 0.921421 S\n0.892668 0.284357 0.578579 S\n0.107332 0.284357 0.078579 S\n0.107332 0.715643 0.421421 S\n0.120406 0.867299 0.804470 S\n0.120406 0.132701 0.695530 S\n0.879594 0.132701 0.195530 S\n0.879594 0.867299 0.304470 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.47775290358732,
"density_atomic": 0.02775373771082781,
"volume": 1152.997853241063,
"volume_molar": 21.698485525610952,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -132.36639574,
"energy_per_atom": -4.136449866875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.36639574,
"band_gap": 2.6623,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.243000Z",
"spacegroup": 13
},
{
"id": "mp-567379",
"created_at": "2022-09-04T14:48:18.633598Z",
"structure_string": "Bi4\n1.0\n4.658632 0.000000 0.000000\n0.000000 4.656154 0.000000\n0.000000 0.059357 6.456472\nBi\n4\ndirect\n0.250000 0.173683 0.236153 Bi\n0.250000 0.302467 0.734197 Bi\n0.750000 0.697533 0.265803 Bi\n0.750000 0.826317 0.763847 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.9113686866849,
"density_atomic": 0.02856136622195172,
"volume": 140.0493228830796,
"volume_molar": 21.08491839361486,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.31059097,
"energy_per_atom": -3.8276477425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.31059097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:00.673000Z",
"spacegroup": 11
},
{
"id": "mp-81",
"created_at": "2022-09-04T14:39:13.991322Z",
"structure_string": "Au1\n1.0\n0.000000 2.085644 2.085644\n2.085644 0.000000 2.085644\n2.085644 2.085644 0.000000\nAu\n1\ndirect\n0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.02565607297311,
"density_atomic": 0.05511241768155413,
"volume": 18.144731116281537,
"volume_molar": 10.927012483459935,
"formula_full": "Au1",
"formula_reduced": "Au",
"formula_anonymous": "A",
"energy": -3.27388154,
"energy_per_atom": -3.27388154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27388154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.101000Z",
"spacegroup": 225
},
{
"id": "mp-1245190",
"created_at": "2022-09-04T14:39:33.825755Z",
"structure_string": "C100\n1.0\n10.200650 0.029229 -0.313752\n0.036144 10.418864 -0.129847\n-0.316005 -0.118581 10.532437\nC\n100\ndirect\n0.020024 0.729011 0.744819 C\n0.955536 0.667969 0.645795 C\n0.376616 0.463696 0.726293 C\n0.749409 0.289837 0.867570 C\n0.889802 0.700264 0.956755 C\n0.261149 0.979015 0.626477 C\n0.798091 0.350518 0.431571 C\n0.188686 0.204063 0.873386 C\n0.208484 0.715592 0.105892 C\n0.212851 0.902976 0.256220 C\n0.921236 0.218827 0.599467 C\n0.878308 0.340109 0.553135 C\n0.427934 0.993404 0.446310 C\n0.506316 0.083809 0.382983 C\n0.428863 0.442597 0.861239 C\n0.124388 0.604102 0.909065 C\n0.842864 0.878269 0.279866 C\n0.021187 0.053337 0.203870 C\n0.397207 0.989708 0.574202 C\n0.907903 0.951094 0.772455 C\n0.099002 0.843259 0.714381 C\n0.463010 0.791153 0.774770 C\n0.553394 0.332034 0.645109 C\n0.449876 0.878272 0.008180 C\n0.252522 0.504575 0.727198 C\n0.866657 0.617771 0.192624 C\n0.226071 0.299468 0.341779 C\n0.894511 0.383818 0.312444 C\n0.095922 0.973190 0.311072 C\n0.149650 0.026923 0.539950 C\n0.076216 0.000584 0.086637 C\n0.828917 0.987989 0.348545 C\n0.664153 0.816553 0.928863 C\n0.515837 0.558031 0.170656 C\n0.084888 0.829431 0.948298 C\n0.023434 0.709665 0.888420 C\n0.022456 0.020190 0.575097 C\n0.656889 0.232982 0.803682 C\n0.525916 0.522379 0.911252 C\n0.333594 0.845022 0.949092 C\n0.230591 0.873260 0.715343 C\n0.860512 0.473171 0.995017 C\n0.862426 0.568509 0.429327 C\n0.573739 0.874834 0.000624 C\n0.172618 0.543938 0.808436 C\n0.588130 0.201481 0.397481 C\n0.173914 0.061300 0.404197 C\n0.142572 0.653908 0.302435 C\n0.962101 0.397580 0.646238 C\n0.252282 0.362726 0.007690 C\n0.373159 0.071602 0.672175 C\n0.822602 0.372199 0.934757 C\n0.741807 0.484255 0.425142 C\n0.240462 0.481837 0.086142 C\n0.817222 0.752518 0.234674 C\n0.425199 0.487567 0.247246 C\n0.915696 0.107737 0.527964 C\n0.190255 0.595154 0.038172 C\n0.000010 0.947831 0.685776 C\n0.026702 0.185238 0.259851 C\n0.326035 0.231347 0.842111 C\n0.623126 0.513371 0.364341 C\n0.578927 0.748709 0.827384 C\n0.304545 0.002514 0.351650 C\n0.341017 0.826732 0.803795 C\n0.874897 0.592431 0.047655 C\n0.295363 0.472900 0.217151 C\n0.351812 0.345081 0.917484 C\n0.947126 0.285599 0.257792 C\n0.954957 0.962380 0.284901 C\n0.212668 0.830939 0.024023 C\n0.489103 0.304308 0.369415 C\n0.162753 0.260715 0.998268 C\n0.808728 0.805813 0.933949 C\n0.910790 0.627848 0.536163 C\n0.201837 0.748397 0.238628 C\n0.539621 0.234169 0.731678 C\n0.812264 0.100367 0.429844 C\n0.614964 0.601125 0.256688 C\n0.508390 0.433268 0.348954 C\n0.091288 0.534434 0.308311 C\n0.493543 0.452080 0.652325 C\n0.384305 0.116367 0.316443 C\n0.581418 0.246145 0.093955 C\n0.934991 0.527077 0.306514 C\n0.092718 0.220876 0.784862 C\n0.544513 0.493541 0.047463 C\n0.408097 0.174299 0.752912 C\n0.008185 0.270472 0.702622 C\n0.723823 0.213880 0.414181 C\n0.571556 0.553983 0.694617 C\n0.193639 0.427869 0.297721 C\n0.139087 0.195428 0.351952 C\n0.579908 0.607599 0.812874 C\n0.361055 0.247646 0.335424 C\n0.192723 0.938248 0.117528 C\n0.011778 0.935485 0.974420 C\n0.886738 0.920189 0.891818 C\n0.560577 0.364485 0.070283 C\n0.730879 0.660572 0.225830 C\n",
"nsites": 100,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7836335358794422,
"density_atomic": 0.08943102584390977,
"volume": 1118.1801735623271,
"volume_molar": 6.733838400233564,
"formula_full": "C100",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -821.37190889,
"energy_per_atom": -8.2137190889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -821.37190889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1176063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.199000Z",
"spacegroup": 1
},
{
"id": "mp-974620",
"created_at": "2022-09-04T14:41:56.812325Z",
"structure_string": "Rb8\n1.0\n9.004761 0.000000 0.000000\n0.000000 9.004761 0.000000\n0.000000 0.000000 9.004761\nRb\n8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.250000 0.000000 Rb\n0.500000 0.750000 0.000000 Rb\n0.000000 0.500000 0.250000 Rb\n0.250000 0.000000 0.500000 Rb\n0.750000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.750000 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5549808254789264,
"density_atomic": 0.010956539671515114,
"volume": 730.1575351201852,
"volume_molar": 54.96389316835499,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.55309927,
"energy_per_atom": -0.94413740875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.55309927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8378747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.669000Z",
"spacegroup": 223
},
{
"id": "mp-1201492",
"created_at": "2022-09-04T14:41:48.293438Z",
"structure_string": "Si232\n1.0\n17.645510 0.000000 0.000000\n0.000000 17.645510 -0.000000\n0.000000 -0.000000 17.645510\nSi\n232\ndirect\n0.262521 0.845906 0.418133 Si\n0.737479 0.345906 0.081867 Si\n0.237479 0.154094 0.918133 Si\n0.762521 0.654094 0.581867 Si\n0.418133 0.262521 0.845906 Si\n0.081867 0.737479 0.345906 Si\n0.918133 0.237479 0.154094 Si\n0.581867 0.762521 0.654094 Si\n0.845906 0.418133 0.262521 Si\n0.345906 0.081867 0.737479 Si\n0.154094 0.918133 0.237479 Si\n0.654094 0.581867 0.762521 Si\n0.737479 0.154094 0.581867 Si\n0.262521 0.654094 0.918133 Si\n0.762521 0.845906 0.081867 Si\n0.237479 0.345906 0.418133 Si\n0.581867 0.737479 0.154094 Si\n0.918133 0.262521 0.654094 Si\n0.081867 0.762521 0.845906 Si\n0.418133 0.237479 0.345906 Si\n0.154094 0.581867 0.737479 Si\n0.654094 0.918133 0.262521 Si\n0.845906 0.081867 0.762521 Si\n0.345906 0.418133 0.237479 Si\n0.894093 0.815674 0.404241 Si\n0.105907 0.315674 0.095759 Si\n0.605907 0.184326 0.904241 Si\n0.394093 0.684326 0.595759 Si\n0.404241 0.894093 0.815674 Si\n0.095759 0.105907 0.315674 Si\n0.904241 0.605907 0.184326 Si\n0.595759 0.394093 0.684326 Si\n0.815674 0.404241 0.894093 Si\n0.315674 0.095759 0.105907 Si\n0.184326 0.904241 0.605907 Si\n0.684326 0.595759 0.394093 Si\n0.105907 0.184326 0.595759 Si\n0.894093 0.684326 0.904241 Si\n0.394093 0.815674 0.095759 Si\n0.605907 0.315674 0.404241 Si\n0.595759 0.105907 0.184326 Si\n0.904241 0.894093 0.684326 Si\n0.095759 0.394093 0.815674 Si\n0.404241 0.605907 0.315674 Si\n0.184326 0.595759 0.105907 Si\n0.684326 0.904241 0.894093 Si\n0.815674 0.095759 0.394093 Si\n0.315674 0.404241 0.605907 Si\n0.391910 0.807586 0.401593 Si\n0.608090 0.307586 0.098407 Si\n0.108090 0.192414 0.901593 Si\n0.891910 0.692414 0.598407 Si\n0.401593 0.391910 0.807586 Si\n0.098407 0.608090 0.307586 Si\n0.901593 0.108090 0.192414 Si\n0.598407 0.891910 0.692414 Si\n0.807586 0.401593 0.391910 Si\n0.307586 0.098407 0.608090 Si\n0.192414 0.901593 0.108090 Si\n0.692414 0.598407 0.891910 Si\n0.608090 0.192414 0.598407 Si\n0.391910 0.692414 0.901593 Si\n0.891910 0.807586 0.098407 Si\n0.108090 0.307586 0.401593 Si\n0.598407 0.608090 0.192414 Si\n0.901593 0.391910 0.692414 Si\n0.098407 0.891910 0.807586 Si\n0.401593 0.108090 0.307586 Si\n0.192414 0.598407 0.608090 Si\n0.692414 0.901593 0.391910 Si\n0.807586 0.098407 0.891910 Si\n0.307586 0.401593 0.108090 Si\n0.973216 0.802579 0.296740 Si\n0.026784 0.302579 0.203260 Si\n0.526784 0.197421 0.796740 Si\n0.473216 0.697421 0.703260 Si\n0.296740 0.973216 0.802579 Si\n0.203260 0.026784 0.302579 Si\n0.796740 0.526784 0.197421 Si\n0.703260 0.473216 0.697421 Si\n0.802579 0.296740 0.973216 Si\n0.302579 0.203260 0.026784 Si\n0.197421 0.796740 0.526784 Si\n0.697421 0.703260 0.473216 Si\n0.026784 0.197421 0.703260 Si\n0.973216 0.697421 0.796740 Si\n0.473216 0.802579 0.203260 Si\n0.526784 0.302579 0.296740 Si\n0.703260 0.026784 0.197421 Si\n0.796740 0.973216 0.697421 Si\n0.203260 0.473216 0.802579 Si\n0.296740 0.526784 0.302579 Si\n0.197421 0.703260 0.026784 Si\n0.697421 0.796740 0.973216 Si\n0.802579 0.203260 0.473216 Si\n0.302579 0.296740 0.526784 Si\n0.763502 0.786322 0.389731 Si\n0.236498 0.286322 0.110269 Si\n0.736498 0.213678 0.889731 Si\n0.263502 0.713678 0.610269 Si\n0.389731 0.763502 0.786322 Si\n0.110269 0.236498 0.286322 Si\n0.889731 0.736498 0.213678 Si\n0.610269 0.263502 0.713678 Si\n0.786322 0.389731 0.763502 Si\n0.286322 0.110269 0.236498 Si\n0.213678 0.889731 0.736498 Si\n0.713678 0.610269 0.263502 Si\n0.236498 0.213678 0.610269 Si\n0.763502 0.713678 0.889731 Si\n0.263502 0.786322 0.110269 Si\n0.736498 0.286322 0.389731 Si\n0.610269 0.236498 0.213678 Si\n0.889731 0.763502 0.713678 Si\n0.110269 0.263502 0.786322 Si\n0.389731 0.736498 0.286322 Si\n0.213678 0.610269 0.236498 Si\n0.713678 0.889731 0.763502 Si\n0.786322 0.110269 0.263502 Si\n0.286322 0.389731 0.736498 Si\n0.958884 0.771284 0.513176 Si\n0.041116 0.271284 0.986824 Si\n0.541116 0.228716 0.013176 Si\n0.458884 0.728716 0.486824 Si\n0.513176 0.958884 0.771284 Si\n0.986824 0.041116 0.271284 Si\n0.013176 0.541116 0.228716 Si\n0.486824 0.458884 0.728716 Si\n0.771284 0.513176 0.958884 Si\n0.271284 0.986824 0.041116 Si\n0.228716 0.013176 0.541116 Si\n0.728716 0.486824 0.458884 Si\n0.041116 0.228716 0.486824 Si\n0.958884 0.728716 0.013176 Si\n0.458884 0.771284 0.986824 Si\n0.541116 0.271284 0.513176 Si\n0.486824 0.041116 0.228716 Si\n0.013176 0.958884 0.728716 Si\n0.986824 0.458884 0.771284 Si\n0.513176 0.541116 0.271284 Si\n0.228716 0.486824 0.041116 Si\n0.728716 0.013176 0.958884 Si\n0.771284 0.986824 0.458884 Si\n0.271284 0.513176 0.541116 Si\n0.583246 0.768409 0.518490 Si\n0.416754 0.268409 0.981510 Si\n0.916754 0.231591 0.018490 Si\n0.083246 0.731591 0.481510 Si\n0.518490 0.583246 0.768409 Si\n0.981510 0.416754 0.268409 Si\n0.018490 0.916754 0.231591 Si\n0.481510 0.083246 0.731591 Si\n0.768409 0.518490 0.583246 Si\n0.268409 0.981510 0.416754 Si\n0.231591 0.018490 0.916754 Si\n0.731591 0.481510 0.083246 Si\n0.416754 0.231591 0.481510 Si\n0.583246 0.731591 0.018490 Si\n0.083246 0.768409 0.981510 Si\n0.916754 0.268409 0.518490 Si\n0.481510 0.416754 0.231591 Si\n0.018490 0.583246 0.731591 Si\n0.981510 0.083246 0.768409 Si\n0.518490 0.916754 0.268409 Si\n0.231591 0.481510 0.416754 Si\n0.731591 0.018490 0.583246 Si\n0.768409 0.981510 0.083246 Si\n0.268409 0.518490 0.916754 Si\n0.084245 0.604215 0.526640 Si\n0.915755 0.104215 0.973360 Si\n0.415755 0.395785 0.026640 Si\n0.584245 0.895785 0.473360 Si\n0.526640 0.084245 0.604215 Si\n0.973360 0.915755 0.104215 Si\n0.026640 0.415755 0.395785 Si\n0.473360 0.584245 0.895785 Si\n0.604215 0.526640 0.084245 Si\n0.104215 0.973360 0.915755 Si\n0.395785 0.026640 0.415755 Si\n0.895785 0.473360 0.584245 Si\n0.915755 0.395785 0.473360 Si\n0.084245 0.895785 0.026640 Si\n0.584245 0.604215 0.973360 Si\n0.415755 0.104215 0.526640 Si\n0.473360 0.915755 0.395785 Si\n0.026640 0.084245 0.895785 Si\n0.973360 0.584245 0.604215 Si\n0.526640 0.415755 0.104215 Si\n0.395785 0.473360 0.915755 Si\n0.895785 0.026640 0.084245 Si\n0.604215 0.973360 0.584245 Si\n0.104215 0.526640 0.415755 Si\n0.455353 0.606286 0.437372 Si\n0.544647 0.106286 0.062628 Si\n0.044647 0.393714 0.937372 Si\n0.955353 0.893714 0.562628 Si\n0.437372 0.455353 0.606286 Si\n0.062628 0.544647 0.106286 Si\n0.937372 0.044647 0.393714 Si\n0.562628 0.955353 0.893714 Si\n0.606286 0.437372 0.455353 Si\n0.106286 0.062628 0.544647 Si\n0.393714 0.937372 0.044647 Si\n0.893714 0.562628 0.955353 Si\n0.544647 0.393714 0.562628 Si\n0.455353 0.893714 0.937372 Si\n0.955353 0.606286 0.062628 Si\n0.044647 0.106286 0.437372 Si\n0.562628 0.544647 0.393714 Si\n0.937372 0.455353 0.893714 Si\n0.062628 0.955353 0.606286 Si\n0.437372 0.044647 0.106286 Si\n0.393714 0.562628 0.544647 Si\n0.893714 0.937372 0.455353 Si\n0.606286 0.062628 0.955353 Si\n0.106286 0.437372 0.044647 Si\n0.189655 0.810345 0.310345 Si\n0.810345 0.310345 0.189655 Si\n0.310345 0.189655 0.810345 Si\n0.689655 0.689655 0.689655 Si\n0.810345 0.189655 0.689655 Si\n0.189655 0.689655 0.810345 Si\n0.689655 0.810345 0.189655 Si\n0.310345 0.310345 0.310345 Si\n0.766026 0.766026 0.766026 Si\n0.233974 0.266026 0.733974 Si\n0.733974 0.233974 0.266026 Si\n0.266026 0.733974 0.233974 Si\n0.233974 0.233974 0.233974 Si\n0.766026 0.733974 0.266026 Si\n0.266026 0.766026 0.733974 Si\n0.733974 0.266026 0.766026 Si\n",
"nsites": 232,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.9693213852509355,
"density_atomic": 0.042226524675571815,
"volume": 5494.176984311777,
"volume_molar": 14.261511706843894,
"formula_full": "Si232",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -1230.56625322,
"energy_per_atom": -5.304164884568965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1230.56625322,
"band_gap": 1.0302000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0022583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.608000Z",
"spacegroup": 205
},
{
"id": "mp-1078640",
"created_at": "2022-09-04T14:41:24.925300Z",
"structure_string": "K8\n1.0\n-7.238521 7.238521 3.777963\n7.238521 -7.238521 3.777963\n7.238521 7.238521 -3.777963\nK\n8\ndirect\n0.582776 0.298641 0.881416 K\n0.417224 0.701359 0.118584 K\n0.917224 0.798641 0.715865 K\n0.082776 0.201359 0.284135 K\n0.298641 0.417224 0.715865 K\n0.701359 0.582776 0.284135 K\n0.798641 0.082776 0.881416 K\n0.201359 0.917224 0.118584 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.655963372566339,
"density_atomic": 0.010103517964627506,
"volume": 791.8034122380009,
"volume_molar": 59.60439503431935,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -7.55238953,
"energy_per_atom": -0.94404869125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.55238953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004517,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.690000Z",
"spacegroup": 140
},
{
"id": "mp-10157",
"created_at": "2022-09-04T14:41:13.641272Z",
"structure_string": "K1\n1.0\n0.000000 3.327867 3.327867\n3.327867 0.000000 3.327867\n3.327867 3.327867 0.000000\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8808036242463018,
"density_atomic": 0.013566634377869216,
"volume": 73.71024914117724,
"volume_molar": 44.38934957828385,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.09807417,
"energy_per_atom": -1.09807417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09807417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.917000Z",
"spacegroup": 225
},
{
"id": "mp-161",
"created_at": "2022-09-04T14:40:42.808772Z",
"structure_string": "B105\n1.0\n8.526042 -5.457252 0.000000\n8.526042 5.457252 0.000000\n5.033026 0.000000 8.783145\nB\n105\ndirect\n0.163903 0.002603 0.002603 B\n0.002603 0.002603 0.163903 B\n0.002603 0.163903 0.002603 B\n0.997397 0.836097 0.997397 B\n0.836097 0.997397 0.997397 B\n0.997397 0.997397 0.836097 B\n0.841382 0.099510 0.099510 B\n0.099510 0.099510 0.841382 B\n0.099510 0.841382 0.099510 B\n0.900490 0.158618 0.900490 B\n0.158618 0.900490 0.900490 B\n0.900490 0.900490 0.158618 B\n0.665143 0.995099 0.995099 B\n0.995099 0.995099 0.665143 B\n0.995099 0.665143 0.995099 B\n0.004901 0.334857 0.004901 B\n0.334857 0.004901 0.004901 B\n0.004901 0.004901 0.334857 B\n0.490450 0.104167 0.104167 B\n0.104167 0.104167 0.490450 B\n0.104167 0.490450 0.104167 B\n0.895833 0.509550 0.895833 B\n0.509550 0.895833 0.895833 B\n0.895833 0.895833 0.509550 B\n0.003863 0.349664 0.173988 B\n0.349664 0.173988 0.003863 B\n0.173988 0.003863 0.349664 B\n0.650336 0.996137 0.826012 B\n0.996137 0.826012 0.650336 B\n0.826012 0.650336 0.996137 B\n0.996137 0.650336 0.826012 B\n0.650337 0.826012 0.996137 B\n0.826012 0.996137 0.650336 B\n0.349664 0.003863 0.173988 B\n0.003863 0.173988 0.349664 B\n0.173988 0.349664 0.003863 B\n0.895056 0.551013 0.165948 B\n0.551013 0.165948 0.895056 B\n0.165948 0.895056 0.551013 B\n0.448987 0.104944 0.834052 B\n0.104944 0.834052 0.448987 B\n0.834052 0.448987 0.104944 B\n0.104944 0.448987 0.834052 B\n0.448987 0.834052 0.104944 B\n0.834052 0.104944 0.448987 B\n0.551013 0.895056 0.165948 B\n0.895056 0.165948 0.551013 B\n0.165948 0.551013 0.895056 B\n0.686828 0.198904 0.198904 B\n0.198904 0.198904 0.686828 B\n0.198904 0.686828 0.198904 B\n0.801096 0.313172 0.801096 B\n0.313172 0.801096 0.801096 B\n0.801096 0.801096 0.313172 B\n0.200174 0.684099 0.375545 B\n0.684099 0.375545 0.200174 B\n0.375545 0.200174 0.684099 B\n0.315901 0.799826 0.624455 B\n0.799826 0.624455 0.315901 B\n0.624455 0.315901 0.799826 B\n0.799826 0.315901 0.624455 B\n0.315901 0.624455 0.799826 B\n0.624455 0.799826 0.315901 B\n0.684099 0.200174 0.375545 B\n0.200174 0.375545 0.684099 B\n0.375545 0.684099 0.200174 B\n0.095973 0.580363 0.363569 B\n0.580363 0.363569 0.095973 B\n0.363569 0.095973 0.580363 B\n0.419638 0.904027 0.636431 B\n0.904027 0.636431 0.419638 B\n0.636431 0.419637 0.904027 B\n0.904027 0.419637 0.636431 B\n0.419638 0.636431 0.904027 B\n0.636431 0.904027 0.419638 B\n0.580363 0.095973 0.363569 B\n0.095973 0.363569 0.580363 B\n0.363569 0.580363 0.095973 B\n0.506039 0.199172 0.199172 B\n0.199172 0.199172 0.506039 B\n0.199172 0.506039 0.199172 B\n0.800828 0.493961 0.800828 B\n0.493961 0.800828 0.800828 B\n0.800828 0.800828 0.493961 B\n0.568265 0.384427 0.384427 B\n0.384427 0.384427 0.568265 B\n0.384427 0.568265 0.384427 B\n0.615573 0.431735 0.615573 B\n0.431735 0.615573 0.615573 B\n0.615573 0.615573 0.431735 B\n0.221092 0.489318 0.489318 B\n0.489318 0.489318 0.221092 B\n0.489318 0.221092 0.489318 B\n0.510682 0.778908 0.510682 B\n0.778908 0.510682 0.510682 B\n0.510682 0.510682 0.778908 B\n0.213560 0.381579 0.381579 B\n0.381579 0.381579 0.213560 B\n0.381579 0.213560 0.381579 B\n0.618421 0.786440 0.618421 B\n0.786440 0.618421 0.618421 B\n0.618421 0.618421 0.786440 B\n0.384809 0.384809 0.384809 B\n0.615191 0.615191 0.615191 B\n0.500000 0.500000 0.500000 B\n",
"nsites": 105,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.3062306481269723,
"density_atomic": 0.12846587358103978,
"volume": 817.3376872244841,
"volume_molar": 4.687735810398759,
"formula_full": "B105",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -698.50363198,
"energy_per_atom": -6.652415542666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -698.50363198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1900035,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.473000Z",
"spacegroup": 166
},
{
"id": "mp-604318",
"created_at": "2022-09-04T14:40:39.078397Z",
"structure_string": "K4\n1.0\n2.352767 -4.075113 0.000000\n2.352767 4.075113 0.000000\n0.000000 0.000000 15.280084\nK\n4\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.750000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.250000 K\n",
"nsites": 4,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8863242870425809,
"density_atomic": 0.013651666741064489,
"volume": 293.0045155561789,
"volume_molar": 44.11286089987297,
"formula_full": "K4",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -4.39472201,
"energy_per_atom": -1.0986805025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.39472201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0571651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.834000Z",
"spacegroup": 194
},
{
"id": "mp-79",
"created_at": "2022-09-04T14:40:23.632045Z",
"structure_string": "Zn2\n1.0\n1.313365 -2.274816 0.000000\n1.313365 2.274816 0.000000\n0.000000 0.000000 5.207234\nZn\n2\ndirect\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.981484851061407,
"density_atomic": 0.06427782797692787,
"volume": 31.114928163376767,
"volume_molar": 9.36892385685716,
"formula_full": "Zn2",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -2.51948722,
"energy_per_atom": -1.25974361,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.51948722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006365,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.321000Z",
"spacegroup": 194
},
{
"id": "mp-1187790",
"created_at": "2022-09-04T14:40:13.908448Z",
"structure_string": "Tl29\n1.0\n-6.126998 6.126998 6.126998\n6.126998 -6.126998 6.126998\n6.126998 6.126998 -6.126998\nTl\n29\ndirect\n0.000000 0.000000 0.363429 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.317122 0.598436 Tl\n0.000000 0.363429 0.000000 Tl\n0.000000 0.598436 0.317122 Tl\n0.000000 0.625784 0.809041 Tl\n0.000000 0.809041 0.625784 Tl\n0.816743 0.190959 0.190959 Tl\n0.809041 0.000000 0.625784 Tl\n0.809041 0.625784 0.000000 Tl\n0.718686 0.401564 0.401564 Tl\n0.682878 0.682878 0.281314 Tl\n0.682878 0.281314 0.682878 Tl\n0.636571 0.636571 0.636571 Tl\n0.625784 0.809041 0.000000 Tl\n0.625784 0.000000 0.809041 Tl\n0.598436 0.000000 0.317122 Tl\n0.598436 0.317122 0.000000 Tl\n0.401564 0.401564 0.718686 Tl\n0.401564 0.718686 0.401564 Tl\n0.374216 0.374216 0.183257 Tl\n0.374216 0.183257 0.374216 Tl\n0.363429 0.000000 0.000000 Tl\n0.317122 0.598436 0.000000 Tl\n0.317122 0.000000 0.598436 Tl\n0.281314 0.682878 0.682878 Tl\n0.190959 0.190959 0.816743 Tl\n0.190959 0.816743 0.190959 Tl\n0.183257 0.374216 0.374216 Tl\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.697672430273183,
"density_atomic": 0.03152062286974502,
"volume": 920.0325805691983,
"volume_molar": 19.10539897921984,
"formula_full": "Tl29",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -68.4161854,
"energy_per_atom": -2.359178806896552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.4161854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0278383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.668000Z",
"spacegroup": 217
}
]
}