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=1771",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=1769",
"results": [
{
"id": "mp-1233730",
"created_at": "2022-09-04T14:46:59.438587Z",
"structure_string": "Ca1 Cr4 P4 O16\n1.0\n9.113607 -0.203962 -2.384260\n0.727825 5.496264 -1.087462\n0.073975 0.005056 6.460720\nCa Cr P O\n1 4 4 16\ndirect\n0.322407 0.941122 0.065482 Ca\n0.071507 0.308385 0.339587 Cr\n0.289864 0.862574 0.550130 Cr\n0.708348 0.134016 0.441374 Cr\n0.914966 0.692105 0.666166 Cr\n0.036387 0.192532 0.787030 P\n0.406568 0.301900 0.649219 P\n0.595074 0.696502 0.354136 P\n0.962702 0.806546 0.213065 P\n0.071384 0.384774 0.668498 O\n0.126038 0.941424 0.714559 O\n0.102566 0.244899 0.031688 O\n0.135548 0.816613 0.266655 O\n0.297548 0.179953 0.433132 O\n0.398973 0.116644 0.798723 O\n0.344905 0.567740 0.721785 O\n0.430995 0.706819 0.369053 O\n0.558009 0.293081 0.605511 O\n0.657104 0.435180 0.289749 O\n0.586125 0.885663 0.198763 O\n0.696477 0.825930 0.562938 O\n0.870375 0.173233 0.727396 O\n0.910157 0.725978 0.974907 O\n0.886890 0.059024 0.298184 O\n0.931584 0.624030 0.345185 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"P",
"O"
],
"chemical_system": "Ca-Cr-O-P",
"density": 3.202407064259617,
"density_atomic": 0.07677925077646887,
"volume": 325.60880377413037,
"volume_molar": 7.84344819609213,
"formula_full": "Ca1 Cr4 P4 O16",
"formula_reduced": "CaCr4(PO4)4",
"formula_anonymous": "AB4C4D16",
"energy": -206.43041376,
"energy_per_atom": -8.257216550399999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.44241376,
"band_gap": 0.9438999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0004518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.854000Z",
"spacegroup": 1
},
{
"id": "mp-542846",
"created_at": "2022-09-04T14:46:58.620470Z",
"structure_string": "As8 S8\n1.0\n4.917638 5.363760 0.000000\n-4.917638 5.363760 0.000000\n0.000000 2.042713 9.326866\nAs S\n8 8\ndirect\n0.791900 0.213925 0.565746 As\n0.786075 0.208100 0.934254 As\n0.208100 0.786075 0.434254 As\n0.213925 0.791900 0.065746 As\n0.751273 0.553485 0.636756 As\n0.446515 0.248727 0.863244 As\n0.248727 0.446515 0.363244 As\n0.553485 0.751273 0.136756 As\n0.933249 0.066751 0.750000 S\n0.066751 0.933249 0.250000 S\n0.453839 0.546161 0.750000 S\n0.546161 0.453839 0.250000 S\n0.881729 0.494627 0.839113 S\n0.505373 0.118271 0.660887 S\n0.118271 0.505373 0.160887 S\n0.494627 0.881729 0.339113 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 2.8885297460904873,
"density_atomic": 0.03251833916848532,
"volume": 492.0300485550679,
"volume_molar": 18.519213815926584,
"formula_full": "As8 S8",
"formula_reduced": "AsS",
"formula_anonymous": "AB",
"energy": -76.46879919,
"energy_per_atom": -4.779299949375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.44479919,
"band_gap": 1.9805,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.369000Z",
"spacegroup": 15
},
{
"id": "mp-1186029",
"created_at": "2022-09-04T14:46:58.651194Z",
"structure_string": "Na2 Zr2 O5\n1.0\n4.039611 0.000000 0.000000\n0.000000 4.039611 0.000000\n0.000000 0.000000 8.139618\nNa Zr O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.250152 Zr\n0.500000 0.500000 0.749848 Zr\n0.500000 0.000000 0.195574 O\n0.500000 0.000000 0.804426 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.195574 O\n0.000000 0.500000 0.804426 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Zr",
"O"
],
"chemical_system": "Na-O-Zr",
"density": 3.8558036076440763,
"density_atomic": 0.06775781514054235,
"volume": 132.82600658436698,
"volume_molar": 8.887743424886054,
"formula_full": "Na2 Zr2 O5",
"formula_reduced": "Na2Zr2O5",
"formula_anonymous": "A2B2C5",
"energy": -71.66635824000001,
"energy_per_atom": -7.9629286933333345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.23135824,
"band_gap": 2.0327,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.365000Z",
"spacegroup": 123
},
{
"id": "mp-866197",
"created_at": "2022-09-04T14:46:58.661955Z",
"structure_string": "Li2 Pr1 Pb1\n1.0\n0.000000 3.527404 3.527404\n3.527404 0.000000 3.527404\n3.527404 3.527404 0.000000\nLi Pr Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pr",
"Pb"
],
"chemical_system": "Li-Pb-Pr",
"density": 6.847777584172094,
"density_atomic": 0.0455684636500609,
"volume": 87.7800057232049,
"volume_molar": 13.215588759468636,
"formula_full": "Li2 Pr1 Pb1",
"formula_reduced": "Li2PrPb",
"formula_anonymous": "ABC2",
"energy": -13.73499801,
"energy_per_atom": -3.4337495025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.73499801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.149000Z",
"spacegroup": 225
},
{
"id": "mp-1182907",
"created_at": "2022-09-04T14:46:58.680993Z",
"structure_string": "Ca12 Al16 Co4 O40\n1.0\n5.250425 0.004393 -0.001615\n-0.013702 11.596849 0.017635\n0.010537 -0.027834 16.663268\nCa Al Co O\n12 16 4 40\ndirect\n0.378245 0.622501 0.072890 Ca\n0.742892 0.022784 0.588791 Ca\n0.713316 0.290523 0.712722 Ca\n0.619526 0.121987 0.926702 Ca\n0.709631 0.790850 0.786909 Ca\n0.255418 0.021689 0.087763 Ca\n0.255573 0.523434 0.411456 Ca\n0.377782 0.124165 0.428272 Ca\n0.284319 0.791394 0.287071 Ca\n0.290735 0.291947 0.212665 Ca\n0.741780 0.521335 0.911845 Ca\n0.623029 0.622783 0.572302 Ca\n0.034158 0.561584 0.742334 Al\n0.338699 0.321143 0.018009 Al\n0.130826 0.790674 0.676520 Al\n0.130450 0.290533 0.824205 Al\n0.339535 0.822495 0.483031 Al\n0.037932 0.061406 0.757933 Al\n0.870628 0.291745 0.323465 Al\n0.663636 0.323514 0.517332 Al\n0.967670 0.062264 0.257813 Al\n0.862644 0.963849 0.422388 Al\n0.859557 0.463978 0.078654 Al\n0.140769 0.463699 0.578376 Al\n0.867521 0.791299 0.175603 Al\n0.660017 0.821340 0.981704 Al\n0.139090 0.963696 0.920922 Al\n0.961876 0.561817 0.241851 Al\n0.205587 0.723650 0.874919 Co\n0.793233 0.224228 0.125187 Co\n0.788105 0.726479 0.373984 Co\n0.210724 0.225353 0.625902 Co\n0.696395 0.298763 0.413470 O\n0.303386 0.296351 0.914346 O\n0.678324 0.754658 0.259741 O\n0.307221 0.797703 0.586926 O\n0.976302 0.053059 0.987562 O\n0.263446 0.014530 0.829153 O\n0.736399 0.514783 0.170599 O\n0.929945 0.341927 0.585833 O\n0.257501 0.513423 0.671019 O\n0.433723 0.934880 0.971866 O\n0.694861 0.796655 0.085403 O\n0.025444 0.052676 0.489396 O\n0.564632 0.434917 0.027904 O\n0.053350 0.635107 0.329910 O\n0.747458 0.013473 0.329638 O\n0.073116 0.343039 0.086524 O\n0.976081 0.551742 0.511407 O\n0.504024 0.198033 0.556823 O\n0.500453 0.695653 0.943008 O\n0.112785 0.677721 0.177819 O\n0.565352 0.936425 0.472447 O\n0.062501 0.135335 0.170065 O\n0.945276 0.418358 0.793830 O\n0.683750 0.252424 0.239504 O\n0.498490 0.195732 0.056913 O\n0.884360 0.677879 0.677664 O\n0.437481 0.437188 0.527830 O\n0.497341 0.696835 0.443535 O\n0.885359 0.176915 0.822056 O\n0.021853 0.553372 0.011882 O\n0.316373 0.750986 0.760681 O\n0.947144 0.918816 0.707275 O\n0.072707 0.841895 0.414925 O\n0.925369 0.842783 0.912986 O\n0.117487 0.179137 0.322264 O\n0.319687 0.252915 0.740298 O\n0.054332 0.419782 0.292417 O\n0.936970 0.634442 0.829908 O\n0.053991 0.919090 0.205585 O\n0.944426 0.134455 0.670066 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Ca-Co-O",
"density": 2.9268819907120336,
"density_atomic": 0.07096369794023644,
"volume": 1014.6032702613146,
"volume_molar": 8.486227373708276,
"formula_full": "Ca12 Al16 Co4 O40",
"formula_reduced": "Ca3Al4CoO10",
"formula_anonymous": "AB3C4D10",
"energy": -528.68943999,
"energy_per_atom": -7.342908888749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -494.65743999,
"band_gap": 2.3877,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0009076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.325000Z",
"spacegroup": 4
},
{
"id": "mp-1100657",
"created_at": "2022-09-04T14:46:58.681887Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.439712 19.469589 0.000000\n-1.439712 19.469589 0.000000\n0.000000 0.165743 5.170425\nLi Mn Co O\n9 2 5 16\ndirect\n0.439120 0.439120 0.177122 Li\n0.314437 0.314437 0.558524 Li\n0.185308 0.185308 0.939000 Li\n0.058978 0.058978 0.334302 Li\n0.941105 0.941105 0.668392 Li\n0.813930 0.813930 0.060585 Li\n0.685869 0.685869 0.438052 Li\n0.561133 0.561133 0.822575 Li\n0.500016 0.500016 0.500205 Li\n0.000172 0.000172 0.000821 Mn\n0.749844 0.749844 0.749608 Mn\n0.875588 0.875588 0.372670 Co\n0.624672 0.624672 0.127718 Co\n0.375157 0.375157 0.871997 Co\n0.249870 0.249870 0.249880 Co\n0.124728 0.124728 0.626723 Co\n0.472562 0.472562 0.857805 O\n0.345609 0.345609 0.219140 O\n0.221183 0.221183 0.617524 O\n0.097092 0.097092 0.977711 O\n0.970857 0.970857 0.310203 O\n0.845623 0.845623 0.715077 O\n0.722324 0.722324 0.118107 O\n0.596551 0.596551 0.476136 O\n0.403900 0.403900 0.528878 O\n0.278741 0.278741 0.882621 O\n0.154281 0.154281 0.278935 O\n0.029327 0.029327 0.689970 O\n0.902964 0.902964 0.026957 O\n0.777475 0.777475 0.381300 O\n0.653930 0.653930 0.778687 O\n0.527653 0.527653 0.142775 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.141900178805855,
"density_atomic": 0.11039803201176786,
"volume": 289.86023950670574,
"volume_molar": 5.454934884489672,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -204.21461445,
"energy_per_atom": -6.3817067015625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.69661445,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0167159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.616000Z",
"spacegroup": 8
},
{
"id": "mp-754516",
"created_at": "2022-09-04T14:46:58.691361Z",
"structure_string": "Li2 Ni2 P2\n1.0\n3.737380 0.000000 0.000000\n0.000000 3.737380 0.000000\n0.000000 0.000000 5.800367\nLi Ni P\n2 2 2\ndirect\n0.000000 0.500000 0.337043 Li\n0.500000 0.000000 0.662957 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.780447 P\n0.500000 0.000000 0.219553 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Ni",
"P"
],
"chemical_system": "Li-Ni-P",
"density": 3.9600705697916516,
"density_atomic": 0.0740561726007999,
"volume": 81.01957999292003,
"volume_molar": 8.131855250557404,
"formula_full": "Li2 Ni2 P2",
"formula_reduced": "LiNiP",
"formula_anonymous": "ABC",
"energy": -29.80868092,
"energy_per_atom": -4.968113486666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.80868092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.439000Z",
"spacegroup": 129
},
{
"id": "mp-1095635",
"created_at": "2022-09-04T14:46:58.693156Z",
"structure_string": "Lu1 P4 Rh6\n1.0\n3.511170 -6.081524 0.000000\n3.511170 6.081524 0.000000\n0.000000 0.000000 3.708986\nLu P Rh\n1 4 6\ndirect\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.000000 P\n0.710715 0.855358 0.500000 P\n0.144642 0.289285 0.500000 P\n0.144642 0.855358 0.500000 P\n0.268836 0.134418 0.000000 Rh\n0.865582 0.731164 0.000000 Rh\n0.865582 0.134418 0.000000 Rh\n0.945420 0.472710 0.500000 Rh\n0.527290 0.054580 0.500000 Rh\n0.527290 0.472710 0.500000 Rh\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Lu",
"P",
"Rh"
],
"chemical_system": "Lu-P-Rh",
"density": 9.605831519432396,
"density_atomic": 0.06944535675537476,
"volume": 158.39791908259798,
"volume_molar": 8.671768770968136,
"formula_full": "Lu1 P4 Rh6",
"formula_reduced": "Lu(P2Rh3)2",
"formula_anonymous": "AB4C6",
"energy": -80.06740116,
"energy_per_atom": -7.278854650909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.06740116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.989000Z",
"spacegroup": 187
},
{
"id": "mp-1199256",
"created_at": "2022-09-04T14:46:58.714945Z",
"structure_string": "Ag26 As6 I8 O24\n1.0\n7.140405 0.000000 0.000000\n0.000000 9.445173 0.000000\n0.000000 0.142562 18.110091\nAg As I O\n26 6 8 24\ndirect\n0.250000 0.705436 0.333942 Ag\n0.750000 0.294564 0.666058 Ag\n0.750000 0.048029 0.380516 Ag\n0.250000 0.951971 0.619484 Ag\n0.538903 0.975875 0.244303 Ag\n0.038903 0.024125 0.755697 Ag\n0.461097 0.024125 0.755697 Ag\n0.961097 0.975875 0.244303 Ag\n0.459370 0.393587 0.333677 Ag\n0.959370 0.606413 0.666323 Ag\n0.540630 0.606413 0.666323 Ag\n0.040630 0.393587 0.333677 Ag\n0.485527 0.768654 0.476480 Ag\n0.985527 0.231346 0.523520 Ag\n0.514473 0.231346 0.523520 Ag\n0.014473 0.768654 0.476480 Ag\n0.487580 0.628602 0.153601 Ag\n0.987580 0.371398 0.846399 Ag\n0.512420 0.371398 0.846399 Ag\n0.012420 0.628602 0.153601 Ag\n0.750000 0.912658 0.089984 Ag\n0.250000 0.087342 0.910016 Ag\n0.503787 0.273326 0.068540 Ag\n0.003787 0.726674 0.931460 Ag\n0.496213 0.726674 0.931460 Ag\n0.996213 0.273326 0.068540 Ag\n0.750000 0.686871 0.321711 As\n0.250000 0.313129 0.678289 As\n0.250000 0.930575 0.072796 As\n0.750000 0.069425 0.927204 As\n0.250000 0.062042 0.394396 As\n0.750000 0.937958 0.605604 As\n0.750000 0.213621 0.218751 I\n0.250000 0.786379 0.781249 I\n0.250000 0.527157 0.457436 I\n0.750000 0.472843 0.542564 I\n0.250000 0.400925 0.193575 I\n0.750000 0.599075 0.806425 I\n0.750000 0.538156 0.046828 I\n0.250000 0.461844 0.953172 I\n0.549958 0.729315 0.271071 O\n0.049958 0.270685 0.728929 O\n0.450042 0.270685 0.728929 O\n0.950042 0.729315 0.271071 O\n0.750000 0.791890 0.400371 O\n0.250000 0.208110 0.599629 O\n0.750000 0.508942 0.342938 O\n0.250000 0.491058 0.657062 O\n0.444411 0.872971 0.122303 O\n0.944411 0.127029 0.877697 O\n0.555589 0.127029 0.877697 O\n0.055589 0.872971 0.122303 O\n0.250000 0.859042 0.984862 O\n0.750000 0.140958 0.015138 O\n0.450382 0.168019 0.396639 O\n0.950382 0.831981 0.603361 O\n0.549618 0.831981 0.603361 O\n0.049618 0.168019 0.396639 O\n0.250000 0.952517 0.471304 O\n0.750000 0.047483 0.528696 O\n0.250000 0.964740 0.313089 O\n0.750000 0.035260 0.686911 O\n0.250000 0.113213 0.062370 O\n0.750000 0.886787 0.937630 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Ag",
"As",
"I",
"O"
],
"chemical_system": "Ag-As-I-O",
"density": 6.326434411630355,
"density_atomic": 0.052399431960707406,
"volume": 1221.3872861826342,
"volume_molar": 11.492759624790978,
"formula_full": "Ag26 As6 I8 O24",
"formula_reduced": "Ag13As3(IO3)4",
"formula_anonymous": "A3B4C12D13",
"energy": -286.21490405,
"energy_per_atom": -4.47210787578125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.69490405,
"band_gap": 0.3703000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.474000Z",
"spacegroup": 11
},
{
"id": "mp-707891",
"created_at": "2022-09-04T14:46:58.724874Z",
"structure_string": "Zn4 P4 H2 N2 O16\n1.0\n5.321113 0.000000 0.000000\n-2.642357 8.588849 0.000000\n-2.014306 -1.943002 9.404697\nZn P H N O\n4 4 2 2 16\ndirect\n0.734935 0.612809 0.232281 Zn\n0.265065 0.387191 0.767719 Zn\n0.192789 0.889912 0.112002 Zn\n0.807211 0.110088 0.887998 Zn\n0.361602 0.754943 0.388238 P\n0.638398 0.245057 0.611762 P\n0.590499 0.756405 0.950565 P\n0.409501 0.243595 0.049435 P\n0.477191 0.918843 0.598502 H\n0.522809 0.081157 0.401498 H\n0.090364 0.305107 0.329975 N\n0.909636 0.694893 0.670025 N\n0.616217 0.709592 0.383676 O\n0.383783 0.290408 0.616324 O\n0.483135 0.406002 0.145502 O\n0.516865 0.593998 0.854498 O\n0.100630 0.614609 0.315651 O\n0.899370 0.385391 0.684349 O\n0.798555 0.763234 0.095457 O\n0.201445 0.236766 0.904543 O\n0.364828 0.898557 0.313816 O\n0.635172 0.101443 0.686184 O\n0.249231 0.113606 0.117016 O\n0.750769 0.886394 0.882984 O\n0.330729 0.782629 0.977489 O\n0.669271 0.217371 0.022511 O\n0.363583 0.806162 0.548006 O\n0.636417 0.193838 0.451994 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Zn",
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P-Zn",
"density": 2.5944521444381126,
"density_atomic": 0.06514420283676725,
"volume": 429.81568245082366,
"volume_molar": 9.244323359194006,
"formula_full": "Zn4 P4 H2 N2 O16",
"formula_reduced": "Zn2P2HNO8",
"formula_anonymous": "ABC2D2E8",
"energy": -174.7324605,
"energy_per_atom": -6.240445017857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.7404605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9988833,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.240000Z",
"spacegroup": 2
},
{
"id": "mp-978512",
"created_at": "2022-09-04T14:46:59.012191Z",
"structure_string": "Sm1 Tm1 Mg2\n1.0\n0.000000 3.798677 3.798677\n3.798677 0.000000 3.798677\n3.798677 3.798677 0.000000\nSm Tm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tm",
"Mg"
],
"chemical_system": "Mg-Sm-Tm",
"density": 5.572585719376069,
"density_atomic": 0.03648655785792261,
"volume": 109.62941518286983,
"volume_molar": 16.505094241693083,
"formula_full": "Sm1 Tm1 Mg2",
"formula_reduced": "SmTmMg2",
"formula_anonymous": "ABC2",
"energy": -12.7160585,
"energy_per_atom": -3.179014625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.7160585,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.567000Z",
"spacegroup": 225
},
{
"id": "mp-1198940",
"created_at": "2022-09-04T14:46:58.648134Z",
"structure_string": "Nd6 Co8 Sn26\n1.0\n9.654140 0.000000 0.000000\n0.000000 9.654140 0.000000\n0.000000 0.000000 9.654140\nNd Co Sn\n6 8 26\ndirect\n0.000000 0.500000 0.750000 Nd\n0.500000 0.250000 0.000000 Nd\n0.750000 0.000000 0.500000 Nd\n0.000000 0.500000 0.250000 Nd\n0.500000 0.750000 0.000000 Nd\n0.250000 0.000000 0.500000 Nd\n0.750000 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.801622 0.342472 0.500000 Sn\n0.657528 0.500000 0.801622 Sn\n0.500000 0.198378 0.657528 Sn\n0.198378 0.657528 0.500000 Sn\n0.342472 0.500000 0.198378 Sn\n0.500000 0.801622 0.342472 Sn\n0.801622 0.657528 0.500000 Sn\n0.657528 0.500000 0.198378 Sn\n0.198378 0.342472 0.500000 Sn\n0.342472 0.500000 0.801622 Sn\n0.500000 0.801622 0.657528 Sn\n0.500000 0.198378 0.342472 Sn\n0.301622 0.000000 0.842472 Sn\n0.157528 0.301622 0.000000 Sn\n0.000000 0.157528 0.698378 Sn\n0.698378 0.000000 0.157528 Sn\n0.842472 0.698378 0.000000 Sn\n0.000000 0.842472 0.301622 Sn\n0.301622 0.000000 0.157528 Sn\n0.157528 0.698378 0.000000 Sn\n0.698378 0.000000 0.842472 Sn\n0.842472 0.301622 0.000000 Sn\n0.000000 0.157528 0.301622 Sn\n0.000000 0.842472 0.698378 Sn\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Sn"
],
"chemical_system": "Co-Nd-Sn",
"density": 8.163235591803064,
"density_atomic": 0.04445485662577594,
"volume": 899.7892027123779,
"volume_molar": 13.546643082655285,
"formula_full": "Nd6 Co8 Sn26",
"formula_reduced": "Nd3Co4Sn13",
"formula_anonymous": "A3B4C13",
"energy": -204.36934954000003,
"energy_per_atom": -5.1092337385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.36934954000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1994727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.919000Z",
"spacegroup": 223
}
]
}