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{
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"results": [
{
"id": "mp-568992",
"created_at": "2022-09-04T14:42:51.243046Z",
"structure_string": "Zr4 Ir4\n1.0\n1.720109 -9.917572 0.000000\n1.720109 9.917572 0.000000\n0.000000 0.000000 4.380778\nZr Ir\n4 4\ndirect\n0.304835 0.695165 0.250000 Zr\n0.561073 0.438927 0.250000 Zr\n0.695165 0.304835 0.750000 Zr\n0.438927 0.561073 0.750000 Zr\n0.943195 0.056805 0.250000 Ir\n0.167970 0.832030 0.250000 Ir\n0.056805 0.943195 0.750000 Ir\n0.832030 0.167970 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.595899561828572,
"density_atomic": 0.053523858712301746,
"volume": 149.4660548112034,
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"formula_full": "Zr4 Ir4",
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"formula_anonymous": "AB",
"energy": -76.43930323,
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"updated_at": "2021-11-28T01:35:48.616000Z",
"spacegroup": 63
},
{
"id": "mp-1017541",
"created_at": "2022-09-04T14:46:59.109232Z",
"structure_string": "Zr1 Ir1\n1.0\n3.136106 0.000000 0.000000\n0.000000 3.136106 0.000000\n0.000000 0.000000 3.663068\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
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"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 13.064275235468594,
"density_atomic": 0.05551413128133359,
"volume": 36.026862959710805,
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"formula_full": "Zr1 Ir1",
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"energy": -18.96595299,
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"energy_uncorrected": -18.96595299,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0024856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.082000Z",
"spacegroup": 123
},
{
"id": "mp-11484",
"created_at": "2022-09-04T14:40:31.311680Z",
"structure_string": "Zr1 Ir1\n1.0\n3.317330 0.000000 0.000000\n0.000000 3.317330 0.000000\n0.000000 0.000000 3.317330\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.892755309407919,
"density_atomic": 0.05478529026098782,
"volume": 36.50614956080984,
"volume_molar": 10.992258563040453,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -18.94884495,
"energy_per_atom": -9.474422475,
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"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -18.94884495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.543000Z",
"spacegroup": 221
},
{
"id": "mp-715",
"created_at": "2022-09-04T14:44:53.039166Z",
"structure_string": "Zr2 Ir4\n1.0\n0.000000 3.718669 3.718669\n3.718669 0.000000 3.718669\n3.718669 3.718669 0.000000\nZr Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 15.359650468177957,
"density_atomic": 0.058338960246058856,
"volume": 102.8472220741256,
"volume_molar": 10.322674135089391,
"formula_full": "Zr2 Ir4",
"formula_reduced": "ZrIr2",
"formula_anonymous": "AB2",
"energy": -56.60807919,
"energy_per_atom": -9.434679865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.60807919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.18e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.883000Z",
"spacegroup": 227
},
{
"id": "mp-1438",
"created_at": "2022-09-04T14:47:32.384073Z",
"structure_string": "Zr1 Ir3\n1.0\n3.987559 0.000000 0.000000\n0.000000 3.987559 0.000000\n0.000000 0.000000 3.987559\nZr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 17.491333437637753,
"density_atomic": 0.06308681838844145,
"volume": 63.404687416172926,
"volume_molar": 9.545798811599854,
"formula_full": "Zr1 Ir3",
"formula_reduced": "ZrIr3",
"formula_anonymous": "AB3",
"energy": -37.96603433,
"energy_per_atom": -9.4915085825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -37.96603433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.614000Z",
"spacegroup": 221
},
{
"id": "mp-1014",
"created_at": "2022-09-04T14:40:51.875841Z",
"structure_string": "Zr4 Mn8\n1.0\n2.465959 -4.271167 0.000000\n2.465959 4.271167 0.000000\n0.000000 0.000000 8.251413\nZr Mn\n4 8\ndirect\n0.333333 0.666667 0.064159 Zr\n0.666667 0.333333 0.564159 Zr\n0.666667 0.333333 0.935841 Zr\n0.333333 0.666667 0.435841 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169522 0.339043 0.750000 Mn\n0.830478 0.169522 0.250000 Mn\n0.830478 0.660957 0.250000 Mn\n0.169522 0.830478 0.750000 Mn\n0.660957 0.830478 0.750000 Mn\n0.339043 0.169522 0.250000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.684765669087496,
"density_atomic": 0.06903836877873115,
"volume": 173.81638952768643,
"volume_molar": 8.722889701089315,
"formula_full": "Zr4 Mn8",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy": -109.70767433,
"energy_per_atom": -9.142306194166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -109.70767433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2514615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.021000Z",
"spacegroup": 194
},
{
"id": "mp-1015",
"created_at": "2022-09-04T14:45:03.370129Z",
"structure_string": "Zr8 Mn16\n1.0\n2.472598 -4.282665 0.000000\n2.472598 4.282665 0.000000\n0.000000 0.000000 16.415286\nZr Mn\n8 16\ndirect\n0.000000 0.000000 0.093023 Zr\n0.000000 0.000000 0.593023 Zr\n0.000000 0.000000 0.906977 Zr\n0.000000 0.000000 0.406977 Zr\n0.333333 0.666667 0.843349 Zr\n0.666667 0.333333 0.343349 Zr\n0.666667 0.333333 0.156651 Zr\n0.333333 0.666667 0.656651 Zr\n0.333333 0.666667 0.125057 Mn\n0.666667 0.333333 0.625057 Mn\n0.666667 0.333333 0.874943 Mn\n0.333333 0.666667 0.374943 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.163941 0.327883 0.250000 Mn\n0.836059 0.163941 0.750000 Mn\n0.327883 0.163941 0.750000 Mn\n0.672117 0.836059 0.250000 Mn\n0.163941 0.836059 0.250000 Mn\n0.836059 0.672117 0.750000 Mn\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.68431717219241,
"density_atomic": 0.06903433957401986,
"volume": 347.65306872048467,
"volume_molar": 8.723398814502966,
"formula_full": "Zr8 Mn16",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy": -219.38642814,
"energy_per_atom": -9.141101172499999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -219.38642814,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.948000Z",
"spacegroup": 194
},
{
"id": "mp-2116",
"created_at": "2022-09-04T14:45:58.823374Z",
"structure_string": "Zr2 Mn4\n1.0\n0.000000 3.517808 3.517808\n3.517808 0.000000 3.517808\n3.517808 3.517808 0.000000\nZr Mn\n2 4\ndirect\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Zr\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.670876059284066,
"density_atomic": 0.0689135873546652,
"volume": 87.06555891686317,
"volume_molar": 8.738684185757052,
"formula_full": "Zr2 Mn4",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy": -54.86795384,
"energy_per_atom": -9.144658973333334,
"energy_above_hull": null,
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"energy_uncorrected": -54.86795384,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:16.524000Z",
"spacegroup": 227
},
{
"id": "mp-558201",
"created_at": "2022-09-04T14:40:07.432416Z",
"structure_string": "Zr4 Mn8 Ag16 Mo24 O96\n1.0\n5.488457 0.000000 0.000000\n0.000000 19.317855 0.000000\n0.000000 0.000000 21.818844\nZr Mn Ag Mo O\n4 8 16 24 96\ndirect\n0.649417 0.000275 0.632124 Zr\n0.850583 0.999725 0.132124 Zr\n0.350583 0.500275 0.867876 Zr\n0.149417 0.499725 0.367876 Zr\n0.483590 0.962466 0.882901 Mn\n0.521738 0.266944 0.220034 Mn\n0.478262 0.766944 0.279966 Mn\n0.016410 0.037534 0.382901 Mn\n0.021738 0.233056 0.779966 Mn\n0.983590 0.537534 0.117099 Mn\n0.978262 0.733056 0.720034 Mn\n0.516410 0.462466 0.617099 Mn\n0.487453 0.787324 0.810492 Ag\n0.006890 0.220943 0.458860 Ag\n0.010128 0.223474 0.957127 Ag\n0.498474 0.921072 0.383905 Ag\n0.501526 0.421072 0.116095 Ag\n0.989872 0.723474 0.542873 Ag\n0.510128 0.276526 0.042873 Ag\n0.993110 0.720943 0.041140 Ag\n0.012547 0.212676 0.310492 Ag\n0.998474 0.578928 0.616095 Ag\n0.001526 0.078928 0.883905 Ag\n0.987453 0.712676 0.189508 Ag\n0.506890 0.279057 0.541140 Ag\n0.493110 0.779057 0.958860 Ag\n0.489872 0.776526 0.457127 Ag\n0.512547 0.287324 0.689508 Ag\n0.003637 0.175337 0.625311 Mo\n0.466054 0.813130 0.635178 Mo\n0.503637 0.324663 0.374689 Mo\n0.502383 0.092499 0.999850 Mo\n0.988372 0.396570 0.229401 Mo\n0.457681 0.586514 0.223576 Mo\n0.997617 0.907501 0.499850 Mo\n0.957681 0.913486 0.776424 Mo\n0.497617 0.592499 0.500150 Mo\n0.011628 0.896570 0.270599 Mo\n0.042319 0.413486 0.723576 Mo\n0.511628 0.603430 0.729401 Mo\n0.491638 0.086439 0.484488 Mo\n0.991638 0.413561 0.515512 Mo\n0.496363 0.824663 0.125311 Mo\n0.966054 0.686870 0.364822 Mo\n0.508362 0.586439 0.015512 Mo\n0.488372 0.103430 0.770599 Mo\n0.533946 0.313130 0.864822 Mo\n0.002383 0.407501 0.000150 Mo\n0.542319 0.086514 0.276424 Mo\n0.008362 0.913561 0.984488 Mo\n0.033946 0.186870 0.135178 Mo\n0.996363 0.675337 0.874689 Mo\n0.240851 0.368848 0.043711 O\n0.304808 0.159770 0.025019 O\n0.048958 0.957103 0.059573 O\n0.951042 0.457103 0.440427 O\n0.831562 0.466253 0.681740 O\n0.121989 0.454093 0.933383 O\n0.740851 0.131152 0.956289 O\n0.942674 0.591426 0.364751 O\n0.892016 0.333086 0.740174 O\n0.668438 0.533747 0.181740 O\n0.695066 0.317349 0.439994 O\n0.442674 0.908574 0.635249 O\n0.867929 0.952333 0.325595 O\n0.684766 0.031294 0.439522 O\n0.621989 0.045907 0.066617 O\n0.195192 0.840230 0.525019 O\n0.168438 0.966253 0.818260 O\n0.939595 0.447040 0.299323 O\n0.853736 0.207980 0.201453 O\n0.367929 0.547667 0.674405 O\n0.439595 0.052960 0.700677 O\n0.632071 0.047667 0.825595 O\n0.139139 0.717867 0.427520 O\n0.451042 0.042897 0.559573 O\n0.132071 0.452333 0.174405 O\n0.548958 0.542897 0.940427 O\n0.639139 0.782133 0.572480 O\n0.304934 0.817349 0.060006 O\n0.184766 0.468706 0.560478 O\n0.783184 0.638049 0.692836 O\n0.330779 0.037526 0.947858 O\n0.337977 0.663512 0.006096 O\n0.695668 0.894322 0.824188 O\n0.195066 0.182651 0.560006 O\n0.216816 0.138049 0.807164 O\n0.779167 0.606539 0.059821 O\n0.557326 0.408574 0.864751 O\n0.720833 0.393461 0.559821 O\n0.317739 0.234428 0.141711 O\n0.353736 0.292020 0.798547 O\n0.820669 0.701590 0.807961 O\n0.259149 0.631152 0.543711 O\n0.220833 0.106539 0.440179 O\n0.679331 0.298410 0.307961 O\n0.804808 0.340230 0.974981 O\n0.878011 0.954093 0.566617 O\n0.882385 0.087246 0.632383 O\n0.646264 0.792020 0.701453 O\n0.057326 0.091426 0.135249 O\n0.738369 0.763628 0.117277 O\n0.662023 0.163512 0.493904 O\n0.861173 0.956770 0.706479 O\n0.804934 0.682651 0.939994 O\n0.138827 0.456770 0.793521 O\n0.695192 0.659770 0.474981 O\n0.560405 0.552960 0.799323 O\n0.300431 0.671143 0.745603 O\n0.860861 0.217867 0.072480 O\n0.830779 0.462474 0.052142 O\n0.800431 0.828857 0.254397 O\n0.107984 0.833086 0.759826 O\n0.182261 0.765572 0.641711 O\n0.331562 0.033747 0.318260 O\n0.060405 0.947040 0.200677 O\n0.638827 0.043230 0.206479 O\n0.195668 0.605678 0.175812 O\n0.304332 0.394322 0.675812 O\n0.761631 0.236372 0.617277 O\n0.682261 0.734428 0.358289 O\n0.378011 0.545907 0.433383 O\n0.261631 0.263628 0.382723 O\n0.283184 0.861951 0.307164 O\n0.146264 0.707980 0.298547 O\n0.169221 0.962474 0.447858 O\n0.817739 0.265572 0.858289 O\n0.320669 0.798410 0.192039 O\n0.759149 0.868848 0.456289 O\n0.162023 0.336488 0.506096 O\n0.238369 0.736372 0.882723 O\n0.279167 0.893461 0.940179 O\n0.361173 0.543230 0.293521 O\n0.360861 0.282133 0.927520 O\n0.179331 0.201590 0.692039 O\n0.837977 0.836488 0.993904 O\n0.392016 0.166914 0.259826 O\n0.669221 0.537526 0.552142 O\n0.199569 0.328857 0.245603 O\n0.617615 0.912754 0.132383 O\n0.315234 0.531294 0.060478 O\n0.607984 0.666914 0.240174 O\n0.815234 0.968706 0.939522 O\n0.716816 0.361951 0.192836 O\n0.382385 0.412754 0.367617 O\n0.117615 0.587246 0.867617 O\n0.804332 0.105678 0.324188 O\n0.699569 0.171143 0.754397 O\n",
"nsites": 148,
"nelements": 5,
"elements": [
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"Mn",
"Ag",
"Mo",
"O"
],
"chemical_system": "Ag-Mn-Mo-O-Zr",
"density": 4.571570181912891,
"density_atomic": 0.0639765490639834,
"volume": 2313.347658873944,
"volume_molar": 9.413044073348212,
"formula_full": "Zr4 Mn8 Ag16 Mo24 O96",
"formula_reduced": "ZrMn2Ag4(MoO4)6",
"formula_anonymous": "AB2C4D6E24",
"energy": -1168.81932679,
"energy_per_atom": -7.897427883716217,
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"energy_uncorrected": -1012.67532679,
"band_gap": 2.1388,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 40.0955323,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.863000Z",
"spacegroup": 19
},
{
"id": "mp-1205027",
"created_at": "2022-09-04T14:46:53.751077Z",
"structure_string": "Zr2 Mn4 H24 O12 F16\n1.0\n4.106937 5.653936 0.000000\n-4.106937 5.653936 0.000000\n0.000000 4.628248 11.677923\nZr Mn H O F\n2 4 24 12 16\ndirect\n0.733034 0.266966 0.750000 Zr\n0.266966 0.733034 0.250000 Zr\n0.571497 0.792773 0.790244 Mn\n0.207227 0.428503 0.709756 Mn\n0.428503 0.207227 0.209756 Mn\n0.792773 0.571497 0.290244 Mn\n0.849504 0.241002 0.467971 H\n0.758998 0.150496 0.032029 H\n0.150496 0.758998 0.532029 H\n0.241002 0.849504 0.967971 H\n0.302620 0.144522 0.053432 H\n0.855478 0.697380 0.446568 H\n0.697380 0.855478 0.946568 H\n0.144522 0.302620 0.553432 H\n0.960892 0.156177 0.354993 H\n0.843823 0.039108 0.145007 H\n0.039108 0.843823 0.645007 H\n0.156177 0.960892 0.854993 H\n0.607214 0.653980 0.012971 H\n0.346020 0.392786 0.487029 H\n0.392786 0.346020 0.987029 H\n0.653980 0.607214 0.512971 H\n0.829503 0.377042 0.124855 H\n0.622958 0.170497 0.375145 H\n0.170497 0.622958 0.875145 H\n0.377042 0.829503 0.624855 H\n0.047607 0.413440 0.113055 H\n0.586560 0.952393 0.386945 H\n0.952393 0.586560 0.886945 H\n0.413440 0.047607 0.613055 H\n0.170300 0.758804 0.607481 O\n0.241196 0.829700 0.892519 O\n0.829700 0.241196 0.392519 O\n0.758804 0.170300 0.107481 O\n0.469198 0.897145 0.639582 O\n0.102855 0.530802 0.860418 O\n0.530802 0.102855 0.360418 O\n0.897145 0.469198 0.139582 O\n0.683107 0.722944 0.937880 O\n0.277056 0.316893 0.562120 O\n0.316893 0.277056 0.062120 O\n0.722944 0.683107 0.437880 O\n0.524427 0.464488 0.859218 F\n0.535512 0.475573 0.640782 F\n0.475573 0.535512 0.140782 F\n0.464488 0.524427 0.359218 F\n0.837030 0.543375 0.712873 F\n0.456625 0.162970 0.787127 F\n0.162970 0.456625 0.287127 F\n0.543375 0.837030 0.212873 F\n0.818117 0.954671 0.726151 F\n0.045329 0.181883 0.773849 F\n0.181883 0.045329 0.273849 F\n0.954671 0.818117 0.226151 F\n0.911040 0.270828 0.578678 F\n0.729172 0.088960 0.921322 F\n0.088960 0.729172 0.421322 F\n0.270828 0.911040 0.078678 F\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Zr",
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O-Zr",
"density": 2.8241260722120742,
"density_atomic": 0.10694573301703234,
"volume": 542.3311277950925,
"volume_molar": 5.631024810537233,
"formula_full": "Zr2 Mn4 H24 O12 F16",
"formula_reduced": "ZrMn2H12(O3F4)2",
"formula_anonymous": "AB2C6D8E12",
"energy": -346.55652711,
"energy_per_atom": -5.97511253637931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -324.24852711,
"band_gap": 3.6889,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0005606,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.543000Z",
"spacegroup": 15
},
{
"id": "mp-1215293",
"created_at": "2022-09-04T14:42:20.599194Z",
"structure_string": "Zr3 Mn9\n1.0\n2.435204 -4.217898 0.000000\n2.435204 4.217898 0.000000\n0.000000 0.000000 7.989350\nZr Mn\n3 9\ndirect\n0.666667 0.333333 0.553453 Zr\n0.666667 0.333333 0.935281 Zr\n0.000000 0.000000 0.073783 Zr\n0.333333 0.666667 0.501042 Mn\n0.333333 0.666667 0.003295 Mn\n0.992268 0.496134 0.258004 Mn\n0.503866 0.496134 0.258004 Mn\n0.503866 0.007732 0.258004 Mn\n0.677058 0.838529 0.742967 Mn\n0.161471 0.838529 0.742967 Mn\n0.161471 0.322942 0.742967 Mn\n0.000000 0.000000 0.430284 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.771451531156703,
"density_atomic": 0.07311531939773977,
"volume": 164.12429158274261,
"volume_molar": 8.236496550387994,
"formula_full": "Zr3 Mn9",
"formula_reduced": "ZrMn3",
"formula_anonymous": "AB3",
"energy": -108.73935337999998,
"energy_per_atom": -9.061612781666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.73935337999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7513328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.930000Z",
"spacegroup": 156
},
{
"id": "mp-1188045",
"created_at": "2022-09-04T14:47:58.896062Z",
"structure_string": "Zr2 Mn6\n1.0\n2.779986 -4.815077 0.000000\n2.779986 4.815077 0.000000\n0.000000 0.000000 4.376830\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.148782 0.297565 0.250000 Mn\n0.702435 0.851218 0.250000 Mn\n0.148782 0.851218 0.250000 Mn\n0.851218 0.702435 0.750000 Mn\n0.297565 0.148782 0.750000 Mn\n0.851218 0.148782 0.750000 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.256851377441457,
"density_atomic": 0.06827386160183482,
"volume": 117.17515037680255,
"volume_molar": 8.8205656142909,
"formula_full": "Zr2 Mn6",
"formula_reduced": "ZrMn3",
"formula_anonymous": "AB3",
"energy": -70.89969522,
"energy_per_atom": -8.8624619025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.89969522,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 12.7447853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.786000Z",
"spacegroup": 194
}
]
}