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_per_atom&page=1750",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=1748",
"results": [
{
"id": "mp-1217187",
"created_at": "2022-09-04T14:45:58.043419Z",
"structure_string": "Ti3 Fe1 Cu2 S8\n1.0\n6.035545 -3.485876 0.000000\n6.035545 3.485876 0.000000\n4.022250 0.000000 5.692156\nTi Fe Cu S\n3 1 2 8\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Fe\n0.123660 0.123660 0.123660 Cu\n0.876340 0.876340 0.876340 Cu\n0.262942 0.730379 0.262942 S\n0.262942 0.262942 0.730379 S\n0.730379 0.262942 0.262942 S\n0.254399 0.254399 0.254399 S\n0.737058 0.269621 0.737058 S\n0.737058 0.737058 0.269621 S\n0.269621 0.737058 0.737058 S\n0.745601 0.745601 0.745601 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Cu",
"S"
],
"chemical_system": "Cu-Fe-S-Ti",
"density": 4.042272991680098,
"density_atomic": 0.0584511176186912,
"volume": 239.51637830656554,
"volume_molar": 10.30286674633963,
"formula_full": "Ti3 Fe1 Cu2 S8",
"formula_reduced": "Ti3Fe(CuS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -90.56233804,
"energy_per_atom": -6.468738431428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.53833804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0054959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.354000Z",
"spacegroup": 166
},
{
"id": "mp-1196205",
"created_at": "2022-09-04T14:45:58.051392Z",
"structure_string": "Cs4 V8 P8 O48\n1.0\n-6.653168 0.000000 2.986475\n-0.006658 0.000000 -8.344518\n0.000000 -18.169557 0.000000\nCs V P O\n4 8 8 48\ndirect\n0.658987 0.028833 0.372570 Cs\n0.158987 0.528833 0.127430 Cs\n0.341013 0.971167 0.627430 Cs\n0.841013 0.471167 0.872570 Cs\n0.667690 0.523967 0.375032 V\n0.167690 0.023967 0.124968 V\n0.332310 0.476033 0.624968 V\n0.832310 0.976033 0.875032 V\n0.159062 0.513390 0.358371 V\n0.659062 0.013390 0.141629 V\n0.840938 0.486610 0.641629 V\n0.340938 0.986610 0.858371 V\n0.732483 0.738909 0.530548 P\n0.232483 0.238909 0.969452 P\n0.267517 0.261091 0.469452 P\n0.767517 0.761091 0.030548 P\n0.525465 0.321131 0.212423 P\n0.025465 0.821131 0.287577 P\n0.474535 0.678869 0.787577 P\n0.974535 0.178869 0.712423 P\n0.801166 0.693011 0.303248 O\n0.301166 0.193011 0.196752 O\n0.198834 0.306989 0.696752 O\n0.698834 0.806989 0.803248 O\n0.547837 0.343905 0.297331 O\n0.047837 0.843905 0.202669 O\n0.452163 0.656095 0.702669 O\n0.952163 0.156095 0.797331 O\n0.863754 0.474596 0.392672 O\n0.363754 0.974596 0.107328 O\n0.136246 0.525404 0.607328 O\n0.636246 0.025404 0.892672 O\n0.418457 0.586898 0.355008 O\n0.918457 0.086898 0.144992 O\n0.581543 0.413102 0.644992 O\n0.081543 0.913102 0.855008 O\n0.490396 0.363965 0.443086 O\n0.990396 0.863965 0.056914 O\n0.509604 0.636035 0.556914 O\n0.009604 0.136035 0.943086 O\n0.733950 0.714631 0.445793 O\n0.233950 0.214631 0.054207 O\n0.266050 0.285369 0.554207 O\n0.766050 0.785369 0.945793 O\n0.072049 0.384041 0.287041 O\n0.572049 0.884041 0.212959 O\n0.927951 0.615959 0.712959 O\n0.427951 0.115959 0.787041 O\n0.129251 0.338659 0.433417 O\n0.629251 0.838659 0.066583 O\n0.870749 0.661341 0.566583 O\n0.370749 0.161341 0.933417 O\n0.242397 0.691193 0.448480 O\n0.742397 0.191193 0.051520 O\n0.757603 0.308807 0.551520 O\n0.257603 0.808807 0.948480 O\n0.163366 0.733758 0.315622 O\n0.663366 0.233758 0.184378 O\n0.836634 0.266242 0.684378 O\n0.336634 0.766242 0.815622 O\n0.799939 0.935588 0.545900 O\n0.299939 0.435588 0.954100 O\n0.200061 0.064412 0.454100 O\n0.700061 0.564412 0.045900 O\n0.576189 0.501613 0.177768 O\n0.076189 0.001613 0.322232 O\n0.423811 0.498387 0.822232 O\n0.923811 0.998387 0.677768 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Cs",
"V",
"P",
"O"
],
"chemical_system": "Cs-O-P-V",
"density": 3.2169728624278946,
"density_atomic": 0.06738749468643859,
"volume": 1009.0893023462507,
"volume_molar": 8.936585026675472,
"formula_full": "Cs4 V8 P8 O48",
"formula_reduced": "CsV2(PO6)2",
"formula_anonymous": "AB2C2D12",
"energy": -501.88820415,
"energy_per_atom": -7.380708884558823,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -455.31220415,
"band_gap": 0.249,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0006881,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.632000Z",
"spacegroup": 14
},
{
"id": "mp-1206854",
"created_at": "2022-09-04T14:45:58.055915Z",
"structure_string": "Ti3 Mn3 P3\n1.0\n3.099624 -5.368706 0.000000\n3.099624 5.368706 0.000000\n0.000000 0.000000 3.380006\nTi Mn P\n3 3 3\ndirect\n0.589257 0.000000 0.000000 Ti\n0.000000 0.589257 0.000000 Ti\n0.410743 0.410743 0.000000 Ti\n0.247184 0.000000 0.500000 Mn\n0.000000 0.247184 0.500000 Mn\n0.752816 0.752816 0.500000 Mn\n0.333333 0.666667 0.500000 P\n0.666667 0.333333 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"P"
],
"chemical_system": "Mn-P-Ti",
"density": 5.924225310004536,
"density_atomic": 0.08000486666725394,
"volume": 112.49315666547704,
"volume_molar": 7.527218044180389,
"formula_full": "Ti3 Mn3 P3",
"formula_reduced": "TiMnP",
"formula_anonymous": "ABC",
"energy": -76.59073718,
"energy_per_atom": -8.510081908888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.59073718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7070499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.414000Z",
"spacegroup": 189
},
{
"id": "mp-1094035",
"created_at": "2022-09-04T14:45:58.075179Z",
"structure_string": "U2 Ga2 Cu2\n1.0\n2.320887 -4.019895 0.000000\n2.320887 4.019895 0.000000\n0.000000 0.000000 5.673221\nU Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.004361 U\n0.000000 0.000000 0.504361 U\n0.666667 0.333333 0.259663 Ga\n0.333333 0.666667 0.759663 Ga\n0.666667 0.333333 0.744976 Cu\n0.333333 0.666667 0.244976 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-U",
"density": 11.64858558624155,
"density_atomic": 0.05667908721556974,
"volume": 105.859150080875,
"volume_molar": 10.62497837534991,
"formula_full": "U2 Ga2 Cu2",
"formula_reduced": "UGaCu",
"formula_anonymous": "ABC",
"energy": -37.51863655,
"energy_per_atom": -6.253106091666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.51863655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4353346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.977000Z",
"spacegroup": 186
},
{
"id": "mp-1219101",
"created_at": "2022-09-04T14:45:58.079836Z",
"structure_string": "Sm2 Ti2 Nb2 Bi4 O18\n1.0\n5.488872 0.000000 0.000000\n0.000000 5.440370 0.000000\n0.000000 2.639856 12.660116\nSm Ti Nb Bi O\n2 2 2 4 18\ndirect\n0.482251 0.242546 0.000051 Sm\n0.982251 0.757454 0.999949 Sm\n0.518152 0.664491 0.171674 Ti\n0.018152 0.335509 0.828326 Ti\n0.522783 0.824233 0.829225 Nb\n0.022783 0.175767 0.170775 Nb\n0.484670 0.021786 0.397366 Bi\n0.482862 0.427027 0.601222 Bi\n0.984670 0.978214 0.602634 Bi\n0.982862 0.572973 0.398778 Bi\n0.528328 0.670547 0.310326 O\n0.529243 0.977196 0.684200 O\n0.028328 0.329453 0.689674 O\n0.029243 0.022804 0.315800 O\n0.842007 0.476566 0.172995 O\n0.847951 0.641572 0.827306 O\n0.342007 0.523434 0.827005 O\n0.347951 0.358428 0.172694 O\n0.560083 0.665907 0.998832 O\n0.060083 0.334093 0.001168 O\n0.747175 0.256289 0.498169 O\n0.745554 0.753008 0.501852 O\n0.247175 0.743711 0.501831 O\n0.245554 0.246992 0.498148 O\n0.753828 0.978165 0.122713 O\n0.755914 0.100696 0.877565 O\n0.253828 0.021835 0.877287 O\n0.255914 0.899304 0.122435 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Sm",
"Ti",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Nb-O-Sm-Ti",
"density": 7.494179618110258,
"density_atomic": 0.0740642801317948,
"volume": 378.04998509639165,
"volume_molar": 8.130965087737046,
"formula_full": "Sm2 Ti2 Nb2 Bi4 O18",
"formula_reduced": "SmTiNbBi2O9",
"formula_anonymous": "ABCD2E9",
"energy": -230.18238126000008,
"energy_per_atom": -8.22079933071429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.81638126,
"band_gap": 2.722,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.210000Z",
"spacegroup": 4
},
{
"id": "mp-28673",
"created_at": "2022-09-04T14:45:58.071071Z",
"structure_string": "P16 S4 O24\n1.0\n9.786817 0.000000 0.000000\n0.000000 8.482132 0.000000\n0.000000 0.020275 10.310639\nP S O\n16 4 24\ndirect\n0.489747 0.185090 0.120425 P\n0.989747 0.814910 0.379575 P\n0.510253 0.814910 0.879575 P\n0.010253 0.185090 0.620425 P\n0.300681 0.195647 0.345718 P\n0.800681 0.804353 0.154282 P\n0.699319 0.804353 0.654282 P\n0.199319 0.195647 0.845718 P\n0.601653 0.205658 0.388311 P\n0.101653 0.794342 0.111689 P\n0.398347 0.794342 0.611689 P\n0.898347 0.205658 0.888311 P\n0.458986 0.473401 0.271791 P\n0.958986 0.526599 0.228209 P\n0.541014 0.526599 0.728209 P\n0.041014 0.473401 0.771791 P\n0.453819 0.696671 0.260901 S\n0.953819 0.303329 0.239099 S\n0.546181 0.303329 0.739099 S\n0.046181 0.696671 0.760901 S\n0.442640 0.154763 0.427221 O\n0.942640 0.845237 0.072779 O\n0.557360 0.845237 0.572779 O\n0.057360 0.154763 0.927221 O\n0.604431 0.145617 0.234454 O\n0.104431 0.854383 0.265546 O\n0.395569 0.854383 0.765546 O\n0.895569 0.145617 0.734454 O\n0.345835 0.138013 0.197528 O\n0.845835 0.861987 0.302472 O\n0.654165 0.861987 0.802472 O\n0.154165 0.138013 0.697528 O\n0.321561 0.392412 0.327978 O\n0.821561 0.607588 0.172022 O\n0.678439 0.607588 0.672022 O\n0.178439 0.392412 0.827978 O\n0.482292 0.383157 0.135576 O\n0.982292 0.616843 0.364424 O\n0.517708 0.616843 0.864424 O\n0.017708 0.383157 0.635576 O\n0.922492 0.401092 0.863503 O\n0.422492 0.598908 0.636497 O\n0.077508 0.598908 0.136497 O\n0.577508 0.401092 0.363503 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"P",
"S",
"O"
],
"chemical_system": "O-P-S",
"density": 1.9552508804544255,
"density_atomic": 0.05140680356792282,
"volume": 855.9178347251964,
"volume_molar": 11.71467654479443,
"formula_full": "P16 S4 O24",
"formula_reduced": "P4SO6",
"formula_anonymous": "AB4C6",
"energy": -304.84934101,
"energy_per_atom": -6.928394113863636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.34934101,
"band_gap": 3.543,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015735,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.834000Z",
"spacegroup": 14
},
{
"id": "mp-1186659",
"created_at": "2022-09-04T14:45:58.109158Z",
"structure_string": "Pm1 Tm1 Tl2\n1.0\n0.000000 3.822156 3.822156\n3.822156 0.000000 3.822156\n3.822156 3.822156 0.000000\nPm Tm Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Tm",
"Tl"
],
"chemical_system": "Pm-Tl-Tm",
"density": 10.746138096139086,
"density_atomic": 0.03581828350999747,
"volume": 111.67480984630475,
"volume_molar": 16.813035606017028,
"formula_full": "Pm1 Tm1 Tl2",
"formula_reduced": "PmTmTl2",
"formula_anonymous": "ABC2",
"energy": -15.30091059,
"energy_per_atom": -3.8252276475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.30091059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.604000Z",
"spacegroup": 225
},
{
"id": "mp-767632",
"created_at": "2022-09-04T14:45:58.120298Z",
"structure_string": "V4 P4 O16\n1.0\n0.000009 0.000600 4.783930\n8.793550 0.000114 0.000017\n0.000087 6.588518 0.000831\nV P O\n4 4 16\ndirect\n0.999936 0.000034 0.500026 V\n0.500073 0.500061 0.000012 V\n0.000114 0.000010 0.999977 V\n0.500004 0.499905 0.500057 V\n0.475865 0.176007 0.249890 P\n0.975881 0.323999 0.749897 P\n0.024126 0.676003 0.250122 P\n0.524115 0.823999 0.750112 P\n0.784847 0.116501 0.249802 O\n0.284871 0.383489 0.749780 O\n0.715129 0.616498 0.250216 O\n0.215121 0.883503 0.750198 O\n0.950036 0.145127 0.749933 O\n0.450057 0.354880 0.249896 O\n0.549912 0.645119 0.750095 O\n0.049921 0.854886 0.250086 O\n0.331730 0.121539 0.055243 O\n0.331773 0.121497 0.444594 O\n0.831718 0.378444 0.555247 O\n0.831817 0.378520 0.944591 O\n0.168143 0.621481 0.055397 O\n0.168335 0.621502 0.444731 O\n0.668149 0.878502 0.555384 O\n0.668328 0.878495 0.944714 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.49676044919959,
"density_atomic": 0.08659133957508673,
"volume": 277.1639764180881,
"volume_molar": 6.954668664962697,
"formula_full": "V4 P4 O16",
"formula_reduced": "VPO4",
"formula_anonymous": "ABC4",
"energy": -201.86950134,
"energy_per_atom": -8.4112292225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.07750134,
"band_gap": 1.8297,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.666000Z",
"spacegroup": 62
},
{
"id": "mp-504598",
"created_at": "2022-09-04T14:45:58.122609Z",
"structure_string": "Rb8 Pb4 O8\n1.0\n7.743604 0.000000 0.000000\n-3.840062 -7.018603 0.000000\n-3.589199 0.946185 -9.980453\nRb Pb O\n8 4 8\ndirect\n0.923921 0.933292 0.176449 Rb\n0.076079 0.066708 0.823551 Rb\n0.761368 0.268616 0.493267 Rb\n0.238632 0.731384 0.506733 Rb\n0.398008 0.431653 0.141564 Rb\n0.601992 0.568347 0.858436 Rb\n0.935668 0.451307 0.169528 Rb\n0.064332 0.548693 0.830472 Rb\n0.402141 0.940592 0.125429 Pb\n0.597859 0.059408 0.874571 Pb\n0.305707 0.296861 0.526389 Pb\n0.694293 0.703139 0.473611 Pb\n0.070711 0.787192 0.022301 O\n0.929289 0.212808 0.977699 O\n0.503547 0.807305 0.005072 O\n0.496453 0.192695 0.994928 O\n0.194526 0.402270 0.644855 O\n0.805474 0.597730 0.355145 O\n0.657858 0.484025 0.625552 O\n0.342142 0.515975 0.374448 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Rb",
"density": 5.02216779811584,
"density_atomic": 0.03687108593066638,
"volume": 542.4304572316819,
"volume_molar": 16.33296282980174,
"formula_full": "Rb8 Pb4 O8",
"formula_reduced": "Rb2PbO2",
"formula_anonymous": "AB2C2",
"energy": -92.275903,
"energy_per_atom": -4.61379515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.77990300000002,
"band_gap": 1.8864000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.39e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.587000Z",
"spacegroup": 2
},
{
"id": "mp-568673",
"created_at": "2022-09-04T14:45:58.124690Z",
"structure_string": "Y1 Si2 Ru2\n1.0\n-2.093822 2.093822 4.785763\n2.093822 -2.093822 4.785763\n2.093822 2.093822 -4.785763\nY Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.631976 0.631976 0.000000 Si\n0.368024 0.368024 0.000000 Si\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Y",
"density": 6.870038863566219,
"density_atomic": 0.059577092928185374,
"volume": 83.92487370988432,
"volume_molar": 10.108148054922937,
"formula_full": "Y1 Si2 Ru2",
"formula_reduced": "Y(SiRu)2",
"formula_anonymous": "AB2C2",
"energy": -40.3061522,
"energy_per_atom": -8.06123044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.4481522,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001503,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:09.389000Z",
"spacegroup": 139
},
{
"id": "mp-1075719",
"created_at": "2022-09-04T14:45:58.125222Z",
"structure_string": "Mg10 Si18\n1.0\n6.645580 0.000000 0.000000\n-2.735559 -6.182622 0.000000\n-2.800554 0.206737 -12.975349\nMg Si\n10 18\ndirect\n0.657246 0.003376 0.682442 Mg\n0.685662 0.025991 0.410205 Mg\n0.236302 0.705560 0.529099 Mg\n0.748344 0.470078 0.365828 Mg\n0.798962 0.714506 0.558786 Mg\n0.220083 0.230440 0.493819 Mg\n0.363632 0.061788 0.084137 Mg\n0.547698 0.132104 0.871759 Mg\n0.983364 0.567656 0.050905 Mg\n0.066625 0.270177 0.884397 Mg\n0.241821 0.348320 0.190086 Si\n0.535037 0.507089 0.954249 Si\n0.989280 0.892844 0.364182 Si\n0.169732 0.295485 0.695917 Si\n0.826706 0.284583 0.210914 Si\n0.071560 0.743655 0.808719 Si\n0.341161 0.736642 0.235611 Si\n0.785405 0.420575 0.728216 Si\n0.729063 0.869375 0.202253 Si\n0.225112 0.972460 0.674260 Si\n0.772552 0.805712 0.863979 Si\n0.902816 0.113087 0.065988 Si\n0.322538 0.079617 0.301745 Si\n0.527623 0.583576 0.704320 Si\n0.336127 0.737421 0.959124 Si\n0.616570 0.498240 0.138364 Si\n0.868984 0.332320 0.568501 Si\n0.429584 0.597291 0.401948 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3316744041985915,
"density_atomic": 0.052521049769087655,
"volume": 533.1195801131906,
"volume_molar": 11.466146976263325,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -108.30771285,
"energy_per_atom": -3.8681326017857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.58571285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.997000Z",
"spacegroup": 1
},
{
"id": "mp-1246290",
"created_at": "2022-09-04T14:45:58.140543Z",
"structure_string": "Cr4 Co6 N8\n1.0\n5.543797 -0.185005 0.085023\n-4.390630 5.610695 0.000000\n-0.032786 -0.025656 5.446509\nCr Co N\n4 6 8\ndirect\n0.631929 0.187820 0.651379 Cr\n0.368071 0.555891 0.848621 Cr\n0.368071 0.812180 0.348621 Cr\n0.631929 0.444109 0.151379 Cr\n0.240396 0.013517 0.012198 Co\n0.759604 0.773122 0.487802 Co\n0.759604 0.986483 0.987802 Co\n0.240396 0.226878 0.512198 Co\n0.000000 0.657852 0.750000 Co\n0.000000 0.342148 0.250000 Co\n0.209918 0.936845 0.526457 N\n0.790082 0.726928 0.973543 N\n0.790082 0.063155 0.473543 N\n0.209918 0.273072 0.026457 N\n0.692764 0.241630 0.992376 N\n0.307236 0.548866 0.507624 N\n0.307236 0.758370 0.007624 N\n0.692764 0.451134 0.492376 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cr",
"Co",
"N"
],
"chemical_system": "Co-Cr-N",
"density": 6.778893066291391,
"density_atomic": 0.10908276759927674,
"volume": 165.01231492516098,
"volume_molar": 5.520707708959824,
"formula_full": "Cr4 Co6 N8",
"formula_reduced": "Cr2Co3N4",
"formula_anonymous": "A2B3C4",
"energy": -151.24775226,
"energy_per_atom": -8.402652903333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.35975226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.633912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.849000Z",
"spacegroup": 15
}
]
}