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_theoretical&page=11519",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=11517",
"results": [
{
"id": "mp-1180596",
"created_at": "2022-09-04T14:47:13.844646Z",
"structure_string": "Li4 C1 O4\n1.0\n2.798784 3.805383 0.000000\n-2.798784 3.805383 0.000000\n0.000000 1.716001 4.273206\nLi C O\n4 1 4\ndirect\n0.647778 0.647778 0.530163 Li\n0.136927 0.650577 0.055978 Li\n0.650577 0.136927 0.055978 Li\n0.241416 0.241416 0.706091 Li\n0.041328 0.041328 0.438505 C\n0.225120 0.225120 0.187699 O\n0.819191 0.232523 0.626631 O\n0.232523 0.819191 0.626631 O\n0.902669 0.902669 0.314114 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 1.8931235524750434,
"density_atomic": 0.09887600893219292,
"volume": 91.02309141717087,
"volume_molar": 6.090598543606121,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy": -54.62646968,
"energy_per_atom": -6.069607742222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.87846968,
"band_gap": 4.0021,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.160000Z",
"spacegroup": 8
},
{
"id": "mp-1095842",
"created_at": "2022-09-04T14:47:13.854032Z",
"structure_string": "Mn2 Co1 Ir1\n1.0\n-4.801613 5.565784 7.878574\n4.801613 -5.565784 7.878574\n4.801613 5.565784 -7.878574\nMn Co Ir\n2 1 1\ndirect\n0.000000 0.252068 0.252068 Mn\n0.000000 0.747932 0.747932 Mn\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Ir"
],
"chemical_system": "Co-Ir-Mn",
"density": 0.7118144633568964,
"density_atomic": 0.004749401440197592,
"volume": 842.2113923967619,
"volume_molar": 126.79788886722234,
"formula_full": "Mn2 Co1 Ir1",
"formula_reduced": "Mn2CoIr",
"formula_anonymous": "ABC2",
"energy": -21.98437206,
"energy_per_atom": -5.496093015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.98437206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.3333211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.870000Z",
"spacegroup": 71
},
{
"id": "mp-753741",
"created_at": "2022-09-04T14:47:13.853802Z",
"structure_string": "Li12 Cu4 S8\n1.0\n-3.948872 3.948872 5.993574\n3.948872 -3.948872 5.993574\n3.948872 3.948872 -5.993574\nLi Cu S\n12 4 8\ndirect\n0.712358 0.287642 0.000000 Li\n0.875000 0.125000 0.750000 Li\n0.375000 0.125000 0.250000 Li\n0.712358 0.712358 0.424715 Li\n0.287642 0.712358 0.000000 Li\n0.462358 0.962358 0.924715 Li\n0.875000 0.625000 0.750000 Li\n0.875000 0.125000 0.250000 Li\n0.037642 0.537642 0.075285 Li\n0.462358 0.537642 0.500000 Li\n0.287642 0.287642 0.575285 Li\n0.037642 0.962358 0.500000 Li\n0.352463 0.352463 0.000000 Cu\n0.647537 0.647537 0.000000 Cu\n0.102463 0.602463 0.500000 Cu\n0.397537 0.897537 0.500000 Cu\n0.665087 0.894738 0.770350 S\n0.625612 0.355262 0.270350 S\n0.105262 0.334913 0.229650 S\n0.644738 0.374388 0.729650 S\n0.105262 0.875612 0.770350 S\n0.644738 0.915087 0.270350 S\n0.084913 0.355262 0.729650 S\n0.124388 0.894738 0.229650 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 2.6384000201580213,
"density_atomic": 0.06419766991590223,
"volume": 373.84534409799545,
"volume_molar": 9.380622019286516,
"formula_full": "Li12 Cu4 S8",
"formula_reduced": "Li3CuS2",
"formula_anonymous": "AB2C3",
"energy": -99.81194851,
"energy_per_atom": -4.158831187916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.78794851,
"band_gap": 1.9031,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.358000Z",
"spacegroup": 141
},
{
"id": "mp-1178278",
"created_at": "2022-09-04T14:47:14.385213Z",
"structure_string": "Fe10 O16 F4\n1.0\n4.638296 0.000000 0.000000\n0.000000 4.641516 0.000000\n0.000000 4.553667 15.155611\nFe O F\n10 16 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.010989 0.790335 0.205199 Fe\n0.979382 0.575906 0.400944 Fe\n0.020618 0.424094 0.599056 Fe\n0.989011 0.209665 0.794801 Fe\n0.479382 0.424094 0.099056 Fe\n0.500000 0.000000 0.500000 Fe\n0.510989 0.209665 0.294801 Fe\n0.489011 0.790335 0.705199 Fe\n0.520618 0.575906 0.900944 Fe\n0.804453 0.885136 0.301892 O\n0.805651 0.693794 0.499948 O\n0.806323 0.508476 0.695650 O\n0.816804 0.276293 0.900250 O\n0.305651 0.306206 0.000052 O\n0.304453 0.114864 0.198108 O\n0.316804 0.723707 0.599750 O\n0.306323 0.491524 0.804350 O\n0.694349 0.693794 0.999948 O\n0.693677 0.508476 0.195650 O\n0.683196 0.276293 0.400250 O\n0.695547 0.885136 0.801892 O\n0.183196 0.723707 0.099750 O\n0.194349 0.306206 0.500052 O\n0.193677 0.491524 0.304350 O\n0.195547 0.114864 0.698108 O\n0.797915 0.106026 0.101060 F\n0.297915 0.893974 0.398940 F\n0.702085 0.106026 0.601060 F\n0.202085 0.893974 0.898940 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.531678344774744,
"density_atomic": 0.09194529124587017,
"volume": 326.28098289206827,
"volume_molar": 6.549700020957289,
"formula_full": "Fe10 O16 F4",
"formula_reduced": "Fe5(O4F)2",
"formula_anonymous": "A2B5C8",
"energy": -218.6146425,
"energy_per_atom": -7.28715475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.2146425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 44.0388773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.087000Z",
"spacegroup": 14
},
{
"id": "mp-1206592",
"created_at": "2022-09-04T14:47:15.496308Z",
"structure_string": "Dy1 Pd2 Pb1\n1.0\n0.000000 3.449103 3.449103\n3.449103 0.000000 3.449103\n3.449103 3.449103 0.000000\nDy Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Pd",
"Pb"
],
"chemical_system": "Dy-Pb-Pd",
"density": 11.787626373830834,
"density_atomic": 0.048742915696109564,
"volume": 82.06320739896283,
"volume_molar": 12.354904654340691,
"formula_full": "Dy1 Pd2 Pb1",
"formula_reduced": "DyPd2Pb",
"formula_anonymous": "ABC2",
"energy": -21.48885186,
"energy_per_atom": -5.372212965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.48885186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.753000Z",
"spacegroup": 225
},
{
"id": "mp-1147777",
"created_at": "2022-09-04T14:47:15.499166Z",
"structure_string": "Ca2 Co1 C1 N2 O2\n1.0\n3.657250 0.000000 0.000000\n0.000000 3.657250 0.000000\n0.000000 0.000000 8.043012\nCa Co C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.705949 Ca\n0.500000 0.500000 0.294051 Ca\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.845031 N\n0.000000 0.000000 0.154969 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 8,
"nelements": 5,
"elements": [
"Ca",
"Co",
"C",
"N",
"O"
],
"chemical_system": "C-Ca-Co-N-O",
"density": 3.258623605257972,
"density_atomic": 0.07436386831935433,
"volume": 107.57912654091822,
"volume_molar": 8.098208035840768,
"formula_full": "Ca2 Co1 C1 N2 O2",
"formula_reduced": "Ca2CoC(NO)2",
"formula_anonymous": "ABC2D2E2",
"energy": -58.05594413,
"energy_per_atom": -7.25699301625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.32194413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3883964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.537000Z",
"spacegroup": 123
},
{
"id": "mp-779758",
"created_at": "2022-09-04T14:47:15.523041Z",
"structure_string": "Li10 Co8 O16\n1.0\n2.898853 -5.023347 0.019636\n-5.811631 -0.006568 -0.009110\n0.022912 -0.037056 -9.542214\nLi Co O\n10 8 16\ndirect\n0.205335 0.801604 0.057396 Li\n0.626215 0.801172 0.058626 Li\n0.344137 0.660697 0.278149 Li\n0.014561 0.001040 0.479780 Li\n0.205358 0.380714 0.059007 Li\n0.824616 0.618829 0.559170 Li\n0.404029 0.198617 0.557665 Li\n0.683326 0.339071 0.779941 Li\n0.825022 0.199353 0.558710 Li\n0.013492 0.998743 0.980007 Li\n0.351632 0.671122 0.526739 Co\n0.680398 0.329221 0.026932 Co\n0.680163 0.836123 0.786531 Co\n0.184447 0.340432 0.786613 Co\n0.844274 0.659731 0.286498 Co\n0.844167 0.163726 0.286389 Co\n0.184608 0.836137 0.786254 Co\n0.348475 0.163712 0.286098 Co\n0.175468 0.833650 0.400533 O\n0.507113 0.984584 0.670935 O\n0.039334 0.515960 0.670231 O\n0.686011 0.833209 0.400506 O\n0.349082 0.670030 0.893658 O\n0.506613 0.515468 0.670627 O\n0.852190 0.675521 0.899543 O\n0.176826 0.324733 0.399400 O\n0.523461 0.484163 0.169955 O\n0.678999 0.329759 0.393562 O\n0.012164 0.995360 0.180353 O\n0.991014 0.484540 0.170251 O\n0.016844 0.004789 0.680406 O\n0.341617 0.166129 0.900667 O\n0.522711 0.015660 0.170641 O\n0.852876 0.166414 0.900505 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.746835283251598,
"density_atomic": 0.1219687873861807,
"volume": 278.7598428141155,
"volume_molar": 4.937444151947288,
"formula_full": "Li10 Co8 O16",
"formula_reduced": "Li5(CoO2)4",
"formula_anonymous": "A4B5C8",
"energy": -210.70013105,
"energy_per_atom": -6.197062677941177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.60413105,
"band_gap": 1.0098000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.731000Z",
"spacegroup": 36
},
{
"id": "mp-1216944",
"created_at": "2022-09-04T14:47:13.999095Z",
"structure_string": "Ti1 Nb6 Tl2 O18\n1.0\n3.843070 6.663227 0.000000\n-3.843070 6.663227 0.000000\n0.000000 0.022611 8.300360\nTi Nb Tl O\n1 6 2 18\ndirect\n0.998009 0.001991 0.500000 Ti\n0.333916 0.836104 0.847197 Nb\n0.830574 0.338386 0.847810 Nb\n0.829243 0.835777 0.848315 Nb\n0.661614 0.169426 0.152190 Nb\n0.163896 0.666084 0.152803 Nb\n0.164223 0.170757 0.151685 Nb\n0.624888 0.687964 0.296897 Tl\n0.312036 0.375112 0.703103 Tl\n0.897218 0.552278 0.838202 O\n0.551886 0.896213 0.838902 O\n0.551002 0.552747 0.838054 O\n0.103787 0.448114 0.161098 O\n0.447722 0.102782 0.161798 O\n0.447253 0.448998 0.161946 O\n0.241192 0.878253 0.635781 O\n0.880146 0.240063 0.637182 O\n0.881433 0.878703 0.637097 O\n0.759937 0.119854 0.362818 O\n0.121747 0.758808 0.364219 O\n0.121297 0.118567 0.362903 O\n0.714737 0.142940 0.898085 O\n0.143289 0.714504 0.896944 O\n0.142377 0.141979 0.897347 O\n0.285496 0.856711 0.103056 O\n0.857060 0.285263 0.101915 O\n0.858021 0.857623 0.102653 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Tl",
"O"
],
"chemical_system": "Nb-O-Ti-Tl",
"density": 5.086167127035912,
"density_atomic": 0.06351465387621909,
"volume": 425.09875048078055,
"volume_molar": 9.481498193686585,
"formula_full": "Ti1 Nb6 Tl2 O18",
"formula_reduced": "TiNb6Tl2O18",
"formula_anonymous": "AB2C6D18",
"energy": -240.3353259,
"energy_per_atom": -8.901308366666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.9693259,
"band_gap": 2.5982,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.196000Z",
"spacegroup": 5
},
{
"id": "mp-1213574",
"created_at": "2022-09-04T14:47:14.004507Z",
"structure_string": "Dy8 Bi16 C8\n1.0\n11.551032 0.000000 0.000000\n0.000000 11.551032 0.000000\n0.000000 0.000000 5.659494\nDy Bi C\n8 16 8\ndirect\n0.162674 0.662674 0.250000 Dy\n0.837326 0.337326 0.750000 Dy\n0.837326 0.337326 0.250000 Dy\n0.337326 0.162674 0.750000 Dy\n0.162674 0.662674 0.750000 Dy\n0.662674 0.837326 0.250000 Dy\n0.662674 0.837326 0.750000 Dy\n0.337326 0.162674 0.250000 Dy\n0.109447 0.390527 0.000000 Bi\n0.890553 0.609473 0.000000 Bi\n0.609473 0.109447 0.500000 Bi\n0.390553 0.890527 0.000000 Bi\n0.390527 0.890553 0.500000 Bi\n0.609447 0.109473 0.000000 Bi\n0.890527 0.609447 0.500000 Bi\n0.109473 0.390553 0.500000 Bi\n0.937689 0.123276 0.000000 Bi\n0.062311 0.876724 0.000000 Bi\n0.876724 0.937689 0.500000 Bi\n0.562311 0.623276 0.000000 Bi\n0.123276 0.062311 0.500000 Bi\n0.437689 0.376724 0.000000 Bi\n0.623276 0.437689 0.500000 Bi\n0.376724 0.562311 0.500000 Bi\n0.354073 0.573318 0.000000 C\n0.645927 0.426682 0.000000 C\n0.426682 0.354073 0.500000 C\n0.145927 0.073318 0.000000 C\n0.573318 0.645927 0.500000 C\n0.854073 0.926682 0.000000 C\n0.073318 0.854073 0.500000 C\n0.926682 0.145927 0.500000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"Bi",
"C"
],
"chemical_system": "Bi-C-Dy",
"density": 10.422871192323393,
"density_atomic": 0.04237705777591785,
"volume": 755.1255721718616,
"volume_molar": 14.210851522170278,
"formula_full": "Dy8 Bi16 C8",
"formula_reduced": "DyBi2C",
"formula_anonymous": "ABC2",
"energy": -147.81535652,
"energy_per_atom": -4.61922989125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.81535652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.932000Z",
"spacegroup": 135
},
{
"id": "mp-1111034",
"created_at": "2022-09-04T14:47:14.008413Z",
"structure_string": "Rb2 Cu1 Au1 F6\n1.0\n0.000000 4.317577 4.317577\n4.317577 0.000000 4.317577\n4.317577 4.317577 0.000000\nRb Cu Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.734446 0.265554 0.265554 F\n0.265554 0.265554 0.734446 F\n0.265554 0.734446 0.734446 F\n0.265554 0.734446 0.265554 F\n0.734446 0.265554 0.734446 F\n0.734446 0.734446 0.265554 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Au",
"F"
],
"chemical_system": "Au-Cu-F-Rb",
"density": 5.626582445671934,
"density_atomic": 0.06212261514006876,
"volume": 160.97197417482917,
"volume_molar": 9.69395886895906,
"formula_full": "Rb2 Cu1 Au1 F6",
"formula_reduced": "Rb2CuAuF6",
"formula_anonymous": "ABC2D6",
"energy": -42.0761242,
"energy_per_atom": -4.20761242,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.3041242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.167000Z",
"spacegroup": 225
},
{
"id": "mp-1175265",
"created_at": "2022-09-04T14:47:14.011848Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n4.298139 4.861876 0.000000\n-4.298139 4.861876 0.000000\n0.000000 0.707280 5.200380\nLi Mn Co O\n7 4 1 12\ndirect\n0.085142 0.418070 0.749966 Li\n0.581930 0.914858 0.250034 Li\n0.920615 0.591799 0.256689 Li\n0.408201 0.079385 0.743311 Li\n0.750479 0.746233 0.748862 Li\n0.253767 0.249521 0.251138 Li\n0.168282 0.831718 0.500000 Li\n0.001317 0.998683 0.000000 Mn\n0.333482 0.666518 0.000000 Mn\n0.834975 0.165025 0.500000 Mn\n0.665715 0.334285 0.000000 Mn\n0.498261 0.501739 0.500000 Co\n0.951732 0.281663 0.107364 O\n0.449534 0.763521 0.648987 O\n0.780651 0.453022 0.605737 O\n0.282705 0.948415 0.103155 O\n0.614421 0.618387 0.108485 O\n0.100423 0.116623 0.652633 O\n0.236479 0.550466 0.351013 O\n0.718337 0.048268 0.892636 O\n0.051585 0.717295 0.896845 O\n0.546978 0.219349 0.394263 O\n0.883377 0.899577 0.347367 O\n0.381613 0.385579 0.891515 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.967243755147014,
"density_atomic": 0.11042358231390788,
"volume": 217.34487776147066,
"volume_molar": 5.453672697269042,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.87511054,
"energy_per_atom": -6.911462939166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.32111054,
"band_gap": 1.0080999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.029000Z",
"spacegroup": 5
},
{
"id": "mp-1227227",
"created_at": "2022-09-04T14:47:14.013967Z",
"structure_string": "Ca1 Ce1 N2\n1.0\n3.603204 0.000000 0.000000\n0.000000 3.603204 0.000000\n0.000000 0.000000 4.802968\nCa Ce N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"N"
],
"chemical_system": "Ca-Ce-N",
"density": 5.544442237708896,
"density_atomic": 0.06414644552059344,
"volume": 62.35731329362355,
"volume_molar": 9.388112951740506,
"formula_full": "Ca1 Ce1 N2",
"formula_reduced": "CaCeN2",
"formula_anonymous": "ABC2",
"energy": -30.229037400000003,
"energy_per_atom": -7.557259350000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.5070374,
"band_gap": 0.3891999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.787000Z",
"spacegroup": 123
}
]
}