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=-is_magnetic&page=10124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=10122",
"results": [
{
"id": "mp-10233",
"created_at": "2022-09-04T14:47:44.778163Z",
"structure_string": "Ca8 B4 N8 F4\n1.0\n3.678433 0.000000 0.000000\n0.000000 9.241387 0.000000\n0.000000 0.000000 10.029988\nCa B N F\n8 4 8 4\ndirect\n0.250000 0.676496 0.025590 Ca\n0.750000 0.823504 0.525590 Ca\n0.250000 0.176496 0.474410 Ca\n0.750000 0.323504 0.974410 Ca\n0.250000 0.527124 0.656271 Ca\n0.750000 0.472876 0.343729 Ca\n0.250000 0.027124 0.843729 Ca\n0.750000 0.972876 0.156271 Ca\n0.250000 0.735311 0.323499 B\n0.750000 0.264689 0.676501 B\n0.250000 0.235311 0.176501 B\n0.750000 0.764689 0.823499 B\n0.250000 0.653550 0.435634 N\n0.750000 0.346450 0.564366 N\n0.250000 0.153550 0.064366 N\n0.750000 0.179179 0.783347 N\n0.250000 0.320821 0.283347 N\n0.750000 0.679179 0.716653 N\n0.250000 0.820821 0.216653 N\n0.750000 0.846450 0.935634 N\n0.750000 0.540690 0.105516 F\n0.750000 0.040690 0.394484 F\n0.250000 0.459310 0.894484 F\n0.250000 0.959310 0.605516 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"B",
"N",
"F"
],
"chemical_system": "B-Ca-F-N",
"density": 2.687949105707024,
"density_atomic": 0.07038997657813183,
"volume": 340.9576358270322,
"volume_molar": 8.55539531728003,
"formula_full": "Ca8 B4 N8 F4",
"formula_reduced": "Ca2BN2F",
"formula_anonymous": "ABC2D2",
"energy": -167.03367233,
"energy_per_atom": -6.959736347083333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.29767233,
"band_gap": 2.9265,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.901000Z",
"spacegroup": 62
},
{
"id": "mp-1216202",
"created_at": "2022-09-04T14:47:34.463505Z",
"structure_string": "Y2 Cu6 Se6\n1.0\n6.937022 -3.516682 0.000000\n6.937022 3.516682 0.000000\n5.154262 0.000000 5.824339\nY Cu Se\n2 6 6\ndirect\n0.833632 0.833632 0.833632 Y\n0.166368 0.166368 0.166368 Y\n0.278890 0.968845 0.626026 Cu\n0.626026 0.278890 0.968845 Cu\n0.968845 0.626026 0.278890 Cu\n0.031155 0.373974 0.721110 Cu\n0.373974 0.721110 0.031155 Cu\n0.721110 0.031155 0.373974 Cu\n0.089324 0.744426 0.418730 Se\n0.744426 0.418730 0.089324 Se\n0.418730 0.089324 0.744426 Se\n0.581270 0.910676 0.255574 Se\n0.255574 0.581270 0.910676 Se\n0.910676 0.255574 0.581270 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Y",
"density": 6.035351568315497,
"density_atomic": 0.04926576432349144,
"volume": 284.17299908456647,
"volume_molar": 12.223784290561502,
"formula_full": "Y2 Cu6 Se6",
"formula_reduced": "Y(CuSe)3",
"formula_anonymous": "AB3C3",
"energy": -71.6082593,
"energy_per_atom": -5.114875664285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.7762593,
"band_gap": 1.1817000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003677,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.460000Z",
"spacegroup": 148
},
{
"id": "mp-1183401",
"created_at": "2022-09-04T14:47:44.874832Z",
"structure_string": "Be1 Cr3\n1.0\n3.511214 0.000000 0.000000\n0.000000 3.511214 0.000000\n0.000000 0.000000 3.511214\nBe Cr\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Cr"
],
"chemical_system": "Be-Cr",
"density": 6.329398094017283,
"density_atomic": 0.09240343009766494,
"volume": 43.28843632506106,
"volume_molar": 6.517226420745372,
"formula_full": "Be1 Cr3",
"formula_reduced": "BeCr3",
"formula_anonymous": "AB3",
"energy": -32.19199733,
"energy_per_atom": -8.0479993325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.19199733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034727,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.446000Z",
"spacegroup": 221
},
{
"id": "mp-549580",
"created_at": "2022-09-04T14:47:34.471361Z",
"structure_string": "Sr2 Cu3 I2 O4\n1.0\n-2.842018 2.842018 8.741307\n2.842018 -2.842018 8.741307\n2.842018 2.842018 -8.741307\nSr Cu I O\n2 3 2 4\ndirect\n0.850601 0.850601 0.000000 Sr\n0.149399 0.149399 0.000000 Sr\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 I\n0.250000 0.750000 0.500000 I\n0.228653 0.771347 0.000000 O\n0.228653 0.228653 0.457306 O\n0.771347 0.771347 0.542694 O\n0.771347 0.228653 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"I",
"O"
],
"chemical_system": "Cu-I-O-Sr",
"density": 4.01989624496832,
"density_atomic": 0.038949570425823324,
"volume": 282.4164651815279,
"volume_molar": 15.461379147861818,
"formula_full": "Sr2 Cu3 I2 O4",
"formula_reduced": "Sr2Cu3(IO2)2",
"formula_anonymous": "A2B2C3D4",
"energy": -52.47506171,
"energy_per_atom": -4.770460155454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.96906171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0132295,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.368000Z",
"spacegroup": 139
},
{
"id": "mp-863375",
"created_at": "2022-09-04T14:47:45.013393Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n9.756137 0.000000 0.000000\n4.861212 8.458788 0.000000\n0.196726 0.064280 14.407441\nLi V P O\n6 6 16 58\ndirect\n0.679113 0.090734 0.451811 Li\n0.089542 0.681065 0.943047 Li\n0.218734 0.084870 0.940207 Li\n0.093580 0.227744 0.442815 Li\n0.781874 0.927344 0.055152 Li\n0.038852 0.935888 0.499296 Li\n0.996950 0.566154 0.743860 V\n0.997276 0.436841 0.253004 V\n0.561354 0.005642 0.251320 V\n0.435988 0.995568 0.748354 V\n0.565491 0.436713 0.751784 V\n0.434179 0.561518 0.251627 V\n0.689113 0.229371 0.154538 P\n0.688230 0.090163 0.662955 P\n0.226761 0.694900 0.659674 P\n0.327477 0.334267 0.866238 P\n0.333638 0.330884 0.368768 P\n0.090065 0.682777 0.161138 P\n0.912877 0.780863 0.340607 P\n0.227920 0.093375 0.157379 P\n0.772520 0.907046 0.840384 P\n0.087819 0.223991 0.656787 P\n0.910235 0.313461 0.835548 P\n0.666513 0.667082 0.633059 P\n0.666484 0.670764 0.136369 P\n0.774968 0.304195 0.337938 P\n0.305314 0.912350 0.334258 P\n0.310396 0.773448 0.841313 P\n0.784743 0.202749 0.418039 O\n0.655479 0.261522 0.671587 O\n0.765610 0.983921 0.929834 O\n0.662860 0.082653 0.165540 O\n0.527462 0.381338 0.178143 O\n0.468810 0.345094 0.818754 O\n0.387360 0.541304 0.669816 O\n0.221562 0.769051 0.924499 O\n0.257889 0.658686 0.168509 O\n0.488475 0.186056 0.323930 O\n0.529841 0.088433 0.676546 O\n0.327589 0.480833 0.323614 O\n0.325726 0.338390 0.969289 O\n0.349833 0.315282 0.471337 O\n0.175969 0.479786 0.825056 O\n0.379079 0.102884 0.181074 O\n0.337441 0.179207 0.827311 O\n0.092133 0.652595 0.672086 O\n0.988426 0.800600 0.243479 O\n0.991247 0.804904 0.420716 O\n0.007621 0.752158 0.071479 O\n0.098891 0.521326 0.183003 O\n0.185212 0.324659 0.333142 O\n0.920369 0.738698 0.835194 O\n0.087903 0.382439 0.670408 O\n0.258282 0.084668 0.673642 O\n0.794262 0.998921 0.751951 O\n0.770211 0.016929 0.573851 O\n0.200167 0.003589 0.413172 O\n0.736380 0.916807 0.335846 O\n0.921795 0.617624 0.332019 O\n0.082458 0.260130 0.175396 O\n0.813340 0.672443 0.676048 O\n0.904476 0.473765 0.817706 O\n0.004478 0.224717 0.916787 O\n0.026931 0.210262 0.565442 O\n0.985983 0.211381 0.740692 O\n0.912936 0.342306 0.339596 O\n0.662310 0.822379 0.178185 O\n0.620409 0.899915 0.819753 O\n0.817435 0.528086 0.184846 O\n0.677481 0.671129 0.034002 O\n0.666951 0.672084 0.530445 O\n0.670671 0.519566 0.678993 O\n0.461839 0.918655 0.325756 O\n0.516173 0.814901 0.677961 O\n0.738108 0.344751 0.833780 O\n0.800002 0.210036 0.242454 O\n0.764919 0.229003 0.065918 O\n0.615548 0.461886 0.327659 O\n0.525042 0.660999 0.180610 O\n0.471410 0.620937 0.824199 O\n0.338995 0.917225 0.840518 O\n0.235864 0.027017 0.064801 O\n0.214811 0.984237 0.236976 O\n0.344673 0.738205 0.332460 O\n0.202656 0.791583 0.575449 O\n0.206466 0.800274 0.749790 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.473179490882587,
"density_atomic": 0.07233118342281904,
"volume": 1188.975431208951,
"volume_molar": 8.32578768246744,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -656.8827251800001,
"energy_per_atom": -7.638171223023257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -606.83672518,
"band_gap": 0.8785000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.977000Z",
"spacegroup": 1
},
{
"id": "mp-1187983",
"created_at": "2022-09-04T14:47:34.908933Z",
"structure_string": "Zn1 Re1\n1.0\n1.374109 -2.380027 0.000000\n1.374109 2.380027 0.000000\n0.000000 0.000000 4.494066\nZn Re\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Re"
],
"chemical_system": "Re-Zn",
"density": 14.21395190382892,
"density_atomic": 0.06803893166595824,
"volume": 29.394935385216453,
"volume_molar": 8.851021926043916,
"formula_full": "Zn1 Re1",
"formula_reduced": "ZnRe",
"formula_anonymous": "AB",
"energy": -13.25535721,
"energy_per_atom": -6.627678605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.25535721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013458,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.794000Z",
"spacegroup": 187
},
{
"id": "mp-1200794",
"created_at": "2022-09-04T14:47:44.304594Z",
"structure_string": "Yb4 H28 C16 O44\n1.0\n8.888281 0.000000 0.000000\n0.000000 8.888281 0.000000\n0.000000 0.000000 12.996252\nYb H C O\n4 28 16 44\ndirect\n0.000000 0.500000 0.960287 Yb\n0.000000 0.500000 0.460287 Yb\n0.500000 0.000000 0.539713 Yb\n0.500000 0.000000 0.039713 Yb\n0.000000 0.000000 0.728194 H\n0.500000 0.500000 0.228194 H\n0.500000 0.500000 0.771806 H\n0.000000 0.000000 0.271806 H\n0.008283 0.194830 0.674906 H\n0.991717 0.805170 0.674906 H\n0.694830 0.491717 0.174906 H\n0.305170 0.508283 0.174906 H\n0.491717 0.305170 0.825094 H\n0.508283 0.694830 0.825094 H\n0.805170 0.008283 0.325094 H\n0.194830 0.991717 0.325094 H\n0.936340 0.181681 0.791751 H\n0.063660 0.818319 0.791751 H\n0.681681 0.563660 0.291751 H\n0.318319 0.436340 0.291751 H\n0.563660 0.318319 0.708249 H\n0.436340 0.681681 0.708249 H\n0.818319 0.936340 0.208249 H\n0.181681 0.063660 0.208249 H\n0.081343 0.532807 0.724500 H\n0.918657 0.467193 0.724500 H\n0.032807 0.418657 0.224500 H\n0.967193 0.581343 0.224500 H\n0.418657 0.967193 0.775500 H\n0.581343 0.032807 0.775500 H\n0.467193 0.081343 0.275500 H\n0.532807 0.918657 0.275500 H\n0.285946 0.276471 0.947547 C\n0.714054 0.723529 0.947547 C\n0.776471 0.214054 0.447547 C\n0.223529 0.785946 0.447547 C\n0.214054 0.223529 0.552453 C\n0.785946 0.776471 0.552453 C\n0.723529 0.285946 0.052453 C\n0.276471 0.714054 0.052453 C\n0.203039 0.225040 0.055133 C\n0.796961 0.774960 0.055133 C\n0.725040 0.296961 0.555133 C\n0.274960 0.703039 0.555133 C\n0.296961 0.274960 0.444867 C\n0.703039 0.725040 0.444867 C\n0.774960 0.203039 0.944867 C\n0.225040 0.796961 0.944867 C\n0.953471 0.128108 0.724453 O\n0.046529 0.871892 0.724453 O\n0.628108 0.546529 0.224453 O\n0.371892 0.453471 0.224453 O\n0.546529 0.371892 0.775547 O\n0.453471 0.628108 0.775547 O\n0.871892 0.953471 0.275547 O\n0.128108 0.046529 0.275547 O\n0.000000 0.500000 0.769783 O\n0.000000 0.500000 0.269783 O\n0.500000 0.000000 0.730217 O\n0.500000 0.000000 0.230217 O\n0.214980 0.371048 0.896413 O\n0.785020 0.628952 0.896413 O\n0.871048 0.285020 0.396413 O\n0.128952 0.714980 0.396413 O\n0.285020 0.128952 0.603587 O\n0.714980 0.871048 0.603587 O\n0.628952 0.214980 0.103587 O\n0.371048 0.785020 0.103587 O\n0.411733 0.216171 0.931536 O\n0.588267 0.783829 0.931536 O\n0.716171 0.088267 0.431536 O\n0.283829 0.911733 0.431536 O\n0.088267 0.283829 0.568464 O\n0.911733 0.716171 0.568464 O\n0.783829 0.411733 0.068464 O\n0.216171 0.588267 0.068464 O\n0.262815 0.112920 0.097851 O\n0.737185 0.887080 0.097851 O\n0.612920 0.237185 0.597851 O\n0.387080 0.762815 0.597851 O\n0.237185 0.387080 0.402149 O\n0.762815 0.612920 0.402149 O\n0.887080 0.262815 0.902149 O\n0.112920 0.737185 0.902149 O\n0.093357 0.303813 0.081331 O\n0.906643 0.696187 0.081331 O\n0.803813 0.406643 0.581331 O\n0.196187 0.593357 0.581331 O\n0.406643 0.196187 0.418669 O\n0.593357 0.803813 0.418669 O\n0.696187 0.093357 0.918669 O\n0.303813 0.906643 0.918669 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Yb",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Yb",
"density": 2.6144384154850675,
"density_atomic": 0.08960539344181208,
"volume": 1026.723910985815,
"volume_molar": 6.720734688711183,
"formula_full": "Yb4 H28 C16 O44",
"formula_reduced": "YbH7C4O11",
"formula_anonymous": "AB4C7D11",
"energy": -612.32778232,
"energy_per_atom": -6.655736764347826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -582.09978232,
"band_gap": 0.0144999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1575444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.172000Z",
"spacegroup": 86
},
{
"id": "mp-756889",
"created_at": "2022-09-04T14:47:35.271764Z",
"structure_string": "K4 Rb4 O4\n1.0\n-5.981709 5.981709 2.875161\n5.981709 -5.981709 2.875161\n5.981709 5.981709 -2.875161\nK Rb O\n4 4 4\ndirect\n0.164759 0.835241 0.000000 K\n0.164759 0.164759 0.329517 K\n0.835241 0.164759 0.000000 K\n0.835241 0.835241 0.670483 K\n0.500000 0.854297 0.354297 Rb\n0.145703 0.500000 0.645703 Rb\n0.854297 0.500000 0.354297 Rb\n0.500000 0.145703 0.645703 Rb\n0.000000 0.300021 0.300021 O\n0.000000 0.699979 0.699979 O\n0.300021 0.000000 0.300021 O\n0.699979 0.000000 0.699979 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Rb",
"O"
],
"chemical_system": "K-O-Rb",
"density": 2.268898705538341,
"density_atomic": 0.029161410259961808,
"volume": 411.5027323104406,
"volume_molar": 20.651061475817276,
"formula_full": "K4 Rb4 O4",
"formula_reduced": "KRbO",
"formula_anonymous": "ABC",
"energy": -41.33912961,
"energy_per_atom": -3.4449274675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.59112961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.712000Z",
"spacegroup": 139
},
{
"id": "mp-999121",
"created_at": "2022-09-04T14:47:46.942727Z",
"structure_string": "Tb1 Tl1 Te2\n1.0\n8.340647 -2.231292 0.000000\n8.340647 2.231292 0.000000\n7.743731 0.000000 3.818335\nTb Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tl\n0.737846 0.737846 0.737846 Te\n0.262154 0.262154 0.262154 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Tl",
"Te"
],
"chemical_system": "Tb-Te-Tl",
"density": 7.226611399952816,
"density_atomic": 0.028144907000654546,
"volume": 142.12162789903604,
"volume_molar": 21.396911206208454,
"formula_full": "Tb1 Tl1 Te2",
"formula_reduced": "TbTlTe2",
"formula_anonymous": "ABC2",
"energy": -18.35561834,
"energy_per_atom": -4.588904585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.51161834,
"band_gap": 0.8304999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.92e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.859000Z",
"spacegroup": 166
},
{
"id": "mp-541450",
"created_at": "2022-09-04T14:47:34.534375Z",
"structure_string": "In4 S6 O24\n1.0\n8.209163 -4.290393 0.000000\n8.209163 4.290393 0.000000\n5.966856 0.000000 7.084805\nIn S O\n4 6 24\ndirect\n0.855442 0.855442 0.855442 In\n0.144558 0.144558 0.144558 In\n0.651307 0.651307 0.651307 In\n0.348693 0.348693 0.348693 In\n0.543687 0.248800 0.958516 S\n0.958516 0.543687 0.248800 S\n0.248800 0.958516 0.543687 S\n0.456313 0.751200 0.041484 S\n0.041484 0.456313 0.751200 S\n0.751200 0.041484 0.456313 S\n0.401830 0.202299 0.980566 O\n0.980566 0.401830 0.202299 O\n0.202299 0.980566 0.401830 O\n0.598170 0.797701 0.019434 O\n0.019434 0.598170 0.797701 O\n0.797701 0.019434 0.598170 O\n0.529012 0.210342 0.145026 O\n0.145026 0.529012 0.210342 O\n0.210342 0.145026 0.529012 O\n0.470988 0.789658 0.854974 O\n0.854974 0.470988 0.789658 O\n0.789658 0.854974 0.470988 O\n0.736413 0.130388 0.866975 O\n0.866975 0.736413 0.130388 O\n0.130388 0.866975 0.736413 O\n0.263587 0.869612 0.133025 O\n0.133025 0.263587 0.869612 O\n0.869612 0.133025 0.263587 O\n0.511230 0.451110 0.836290 O\n0.836290 0.511230 0.451110 O\n0.451110 0.836290 0.511230 O\n0.488770 0.548890 0.163710 O\n0.163710 0.488770 0.548890 O\n0.548890 0.163710 0.488770 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"In",
"S",
"O"
],
"chemical_system": "In-O-S",
"density": 3.4459363323873524,
"density_atomic": 0.06812790993069562,
"volume": 499.06125161607235,
"volume_molar": 8.839462073805192,
"formula_full": "In4 S6 O24",
"formula_reduced": "In2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy": -220.08390448,
"energy_per_atom": -6.473056014117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.59590448,
"band_gap": 3.7535,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.646000Z",
"spacegroup": 148
},
{
"id": "mp-1206819",
"created_at": "2022-09-04T14:47:46.623918Z",
"structure_string": "Zn1 Ir1\n1.0\n1.406065 -2.435377 0.000000\n1.406065 2.435377 0.000000\n0.000000 0.000000 4.180885\nZn Ir\n1 1\ndirect\n0.666667 0.333333 0.500000 Zn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ir"
],
"chemical_system": "Ir-Zn",
"density": 14.940632120728665,
"density_atomic": 0.06984899793149653,
"volume": 28.63319531028166,
"volume_molar": 8.621656628354401,
"formula_full": "Zn1 Ir1",
"formula_reduced": "ZnIr",
"formula_anonymous": "AB",
"energy": -10.48618992,
"energy_per_atom": -5.24309496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.48618992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.302000Z",
"spacegroup": 187
},
{
"id": "mp-1219574",
"created_at": "2022-09-04T14:47:46.181715Z",
"structure_string": "Rb5 Sb4\n1.0\n2.892772 6.550159 0.000000\n-2.892772 6.550159 0.000000\n0.000000 4.528000 10.844039\nRb Sb\n5 4\ndirect\n0.750228 0.750228 0.665942 Rb\n0.260056 0.260056 0.332113 Rb\n0.395159 0.395159 0.895533 Rb\n0.604720 0.604720 0.100390 Rb\n0.528079 0.528079 0.483546 Rb\n0.042062 0.042062 0.682910 Sb\n0.955901 0.955901 0.318713 Sb\n0.100314 0.100314 0.890424 Sb\n0.898780 0.898780 0.109329 Sb\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 3.6947769607523657,
"density_atomic": 0.021900568853758153,
"volume": 410.9482297057135,
"volume_molar": 27.49764538178467,
"formula_full": "Rb5 Sb4",
"formula_reduced": "Rb5Sb4",
"formula_anonymous": "A4B5",
"energy": -25.86537869,
"energy_per_atom": -2.8739309655555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.09737869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0268739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.657000Z",
"spacegroup": 8
}
]
}