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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10190",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10188",
"results": [
{
"id": "mp-728493",
"created_at": "2022-09-04T14:39:47.826310Z",
"structure_string": "Rb4 V4 H16 O8 F16\n1.0\n-0.000439 -0.001672 6.489086\n6.014124 -0.029683 -3.244950\n1.655945 15.371319 -0.004089\nRb V H O F\n4 4 16 8 16\ndirect\n0.403447 0.249738 0.374973 Rb\n0.903440 0.249910 0.874918 Rb\n0.096848 0.750154 0.125035 Rb\n0.596643 0.750232 0.625087 Rb\n0.249762 0.999893 0.750008 V\n0.999992 0.500185 0.500018 V\n0.750163 0.000310 0.249796 V\n0.499713 0.499626 0.000155 V\n0.812923 0.053300 0.421013 H\n0.312668 0.052825 0.921295 H\n0.009701 0.446987 0.328766 H\n0.509415 0.446572 0.829040 H\n0.687253 0.946846 0.078682 H\n0.187109 0.947019 0.578857 H\n0.490603 0.553283 0.171212 H\n0.990267 0.553217 0.671127 H\n0.820505 0.824920 0.406322 H\n0.320419 0.824585 0.906669 H\n0.245805 0.675125 0.343364 H\n0.745491 0.674877 0.843707 H\n0.679689 0.175203 0.093180 H\n0.179468 0.175282 0.593450 H\n0.254451 0.324975 0.156804 H\n0.754231 0.324991 0.656552 H\n0.855838 0.976136 0.377794 O\n0.355747 0.975760 0.878039 O\n0.129921 0.524073 0.372031 O\n0.629619 0.523725 0.872257 O\n0.644306 0.024100 0.121836 O\n0.144174 0.024206 0.622047 O\n0.370168 0.475996 0.128087 O\n0.870043 0.476001 0.627917 O\n0.824725 0.308552 0.261508 F\n0.324259 0.308073 0.761968 F\n0.766632 0.191757 0.488257 F\n0.266239 0.191239 0.988529 F\n0.676182 0.692189 0.238051 F\n0.175583 0.691667 0.738218 F\n0.733587 0.807964 0.011754 F\n0.233809 0.808649 0.511643 F\n0.775652 0.599046 0.459197 F\n0.275163 0.598552 0.959441 F\n0.426489 0.900855 0.290354 F\n0.926289 0.900485 0.790589 F\n0.724315 0.401166 0.040804 F\n0.224535 0.401352 0.540718 F\n0.073381 0.099189 0.209376 F\n0.573340 0.099214 0.709556 F\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Rb",
"V",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Rb-V",
"density": 2.7493540733447146,
"density_atomic": 0.07997471700351153,
"volume": 600.1896824204132,
"volume_molar": 7.530055729657137,
"formula_full": "Rb4 V4 H16 O8 F16",
"formula_reduced": "RbVH4(OF2)2",
"formula_anonymous": "ABC2D4E4",
"energy": -273.23842080000003,
"energy_per_atom": -5.692467100000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -253.55042080000004,
"band_gap": 2.6044,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0008464,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.667000Z",
"spacegroup": 15
},
{
"id": "mp-559150",
"created_at": "2022-09-04T14:47:44.983875Z",
"structure_string": "Na9 Zr1 P4 Cl1 O16\n1.0\n5.440397 0.000000 0.000000\n-0.048754 9.167618 0.000000\n-0.303634 -3.334197 8.639936\nNa Zr P Cl O\n9 1 4 1 16\ndirect\n0.534877 0.646083 0.396261 Na\n0.418231 0.982326 0.364034 Na\n0.514495 0.504667 0.986771 Na\n0.050546 0.830535 0.572364 Na\n0.454443 0.363563 0.590450 Na\n0.920802 0.178743 0.409745 Na\n0.969043 0.574811 0.827639 Na\n0.053452 0.440284 0.157939 Na\n0.525333 0.083641 0.765884 Na\n0.011669 0.001980 0.996670 Zr\n0.531240 0.244975 0.183008 P\n0.962742 0.791033 0.240322 P\n0.484580 0.765747 0.797316 P\n0.032112 0.213372 0.740587 P\n0.003084 0.501501 0.495049 Cl\n0.773180 0.852537 0.368122 O\n0.797936 0.199018 0.118954 O\n0.514678 0.215325 0.335022 O\n0.031487 0.938451 0.192059 O\n0.224023 0.808830 0.871480 O\n0.687586 0.874709 0.911460 O\n0.202421 0.749037 0.308993 O\n0.867674 0.652039 0.098082 O\n0.535113 0.596968 0.780171 O\n0.480455 0.804241 0.649267 O\n0.774752 0.255180 0.693725 O\n0.199627 0.147360 0.599168 O\n0.158879 0.353080 0.869586 O\n0.338304 0.136252 0.060485 O\n0.992237 0.071337 0.800007 O\n0.487999 0.413374 0.194380 O\n",
"nsites": 31,
"nelements": 5,
"elements": [
"Na",
"Zr",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O-P-Zr",
"density": 2.749333435225954,
"density_atomic": 0.07193894545615916,
"volume": 430.9209678211357,
"volume_molar": 8.371182982755839,
"formula_full": "Na9 Zr1 P4 Cl1 O16",
"formula_reduced": "Na9ZrP4ClO16",
"formula_anonymous": "ABC4D9E16",
"energy": -206.79091252,
"energy_per_atom": -6.670674597419355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.18491252,
"band_gap": 3.9882,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001731,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.385000Z",
"spacegroup": 1
},
{
"id": "mp-989545",
"created_at": "2022-09-04T14:43:38.683051Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.424014 5.424014\n5.424014 0.000000 5.424014\n5.424014 5.424014 0.000000\nRb Na Sb Cl\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 Na\n0.000000 0.000000 0.000000 Sb\n0.754937 0.245063 0.245063 Cl\n0.245063 0.245063 0.754937 Cl\n0.245063 0.754937 0.754937 Cl\n0.245063 0.754937 0.245063 Cl\n0.754937 0.245063 0.754937 Cl\n0.754937 0.754937 0.245063 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sb",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sb",
"density": 2.7493009015737164,
"density_atomic": 0.031333405479896,
"volume": 319.1482013155626,
"volume_molar": 19.21955391623135,
"formula_full": "Rb2 Na1 Sb1 Cl6",
"formula_reduced": "Rb2NaSbCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.27937124,
"energy_per_atom": -3.7279371240000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.59537124,
"band_gap": 3.0525,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.260000Z",
"spacegroup": 225
},
{
"id": "mp-753867",
"created_at": "2022-09-04T14:43:16.002870Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n6.205853 0.001010 -0.113484\n-0.886969 6.142141 0.113484\n2.433352 3.267329 7.987549\nLi Mn P O\n2 2 4 16\ndirect\n0.162071 0.392979 0.491667 Li\n0.615354 0.346262 0.991667 Li\n0.147301 0.898793 0.752544 Mn\n0.848663 0.100155 0.252544 Mn\n0.287090 0.980933 0.354644 P\n0.164423 0.358266 0.854644 P\n0.841255 0.641611 0.150048 P\n0.708340 0.008697 0.650048 P\n0.054283 0.785021 0.992276 O\n0.156009 0.117906 0.243445 O\n0.241443 0.722516 0.390771 O\n0.138648 0.600546 0.743445 O\n0.248337 0.056509 0.507365 O\n0.158683 0.224395 0.733765 O\n0.626981 0.566248 0.104812 O\n0.541840 0.107552 0.233765 O\n0.455754 0.936575 0.761769 O\n0.386714 0.367786 0.890771 O\n0.801656 0.782477 0.261769 O\n0.722703 0.953440 0.492276 O\n0.888062 0.409883 0.261201 O\n0.828941 0.268207 0.604812 O\n0.828915 0.850737 0.761201 O\n0.936126 0.244298 0.007365 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.7492922003894247,
"density_atomic": 0.07889687071574907,
"volume": 304.194574287586,
"volume_molar": 7.632927269950499,
"formula_full": "Li2 Mn2 P4 O16",
"formula_reduced": "LiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -177.50233036,
"energy_per_atom": -7.395930431666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -163.17433036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.443000Z",
"spacegroup": 9
},
{
"id": "mp-763790",
"created_at": "2022-09-04T14:40:26.702433Z",
"structure_string": "Mn4 P12 O36\n1.0\n0.699302 7.264372 -0.175236\n-7.451360 -0.992407 6.088144\n6.997290 -1.077875 7.367366\nMn P O\n4 12 36\ndirect\n0.158914 0.865241 0.047470 Mn\n0.840941 0.634724 0.452523 Mn\n0.159299 0.365490 0.547446 Mn\n0.840713 0.134642 0.952602 Mn\n0.569387 0.330473 0.476905 P\n0.569072 0.830358 0.976967 P\n0.430904 0.669643 0.522999 P\n0.430611 0.169514 0.023078 P\n0.808585 0.892194 0.225805 P\n0.808839 0.392260 0.725820 P\n0.191156 0.107717 0.774202 P\n0.191363 0.607792 0.274166 P\n0.814156 0.118717 0.444346 P\n0.813921 0.618660 0.944369 P\n0.186088 0.881357 0.555632 P\n0.185900 0.381284 0.055639 P\n0.319696 0.050677 0.092612 O\n0.320002 0.550784 0.592495 O\n0.680030 0.949231 0.907495 O\n0.680321 0.449319 0.407420 O\n0.358951 0.309189 0.452453 O\n0.358661 0.809143 0.952442 O\n0.641285 0.690879 0.547561 O\n0.641040 0.190790 0.047607 O\n0.962451 0.938731 0.133696 O\n0.962781 0.438809 0.633807 O\n0.037244 0.061187 0.866267 O\n0.037477 0.561286 0.366255 O\n0.977460 0.240018 0.428124 O\n0.977187 0.740043 0.928132 O\n0.022841 0.759974 0.571851 O\n0.022578 0.259993 0.071908 O\n0.614754 0.852167 0.133468 O\n0.615090 0.352271 0.633401 O\n0.384978 0.147676 0.866602 O\n0.385220 0.647840 0.366516 O\n0.623093 0.185821 0.430953 O\n0.622833 0.685738 0.930995 O\n0.377148 0.814252 0.568996 O\n0.376928 0.314153 0.069027 O\n0.188895 0.968155 0.442765 O\n0.188758 0.468088 0.942761 O\n0.811261 0.031878 0.557207 O\n0.811121 0.531877 0.057232 O\n0.776156 0.031998 0.301520 O\n0.776205 0.532012 0.801522 O\n0.223780 0.967949 0.698479 O\n0.223897 0.468021 0.198460 O\n0.182326 0.225993 0.690410 O\n0.182428 0.726047 0.190402 O\n0.817584 0.773959 0.309563 O\n0.817690 0.273987 0.809629 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.7492753392810356,
"density_atomic": 0.07374743913567283,
"volume": 705.1092296823465,
"volume_molar": 8.16589813908127,
"formula_full": "Mn4 P12 O36",
"formula_reduced": "Mn(PO3)3",
"formula_anonymous": "AB3C9",
"energy": -408.09934222,
"energy_per_atom": -7.848064273461538,
"energy_above_hull": null,
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"energy_uncorrected": -376.69534222,
"band_gap": 1.0864,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0008946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.494000Z",
"spacegroup": 2
},
{
"id": "mp-1652312",
"created_at": "2022-09-04T14:39:13.050559Z",
"structure_string": "Na8 Co4 Si4 C4 O28\n1.0\n0.005003 0.001235 5.148237\n9.552268 6.316774 -0.237480\n-9.548827 6.311318 0.240386\nNa Co Si C O\n8 4 4 4 28\ndirect\n0.240022 0.123511 0.883002 Na\n0.246761 0.620169 0.380053 Na\n0.248661 0.370993 0.129457 Na\n0.239421 0.866451 0.627644 Na\n0.765500 0.634063 0.869957 Na\n0.746557 0.127625 0.373751 Na\n0.761693 0.880565 0.116409 Na\n0.750259 0.375171 0.621622 Na\n0.797985 0.060269 0.690293 Co\n0.194382 0.936450 0.313357 Co\n0.809882 0.573147 0.177172 Co\n0.196581 0.437380 0.811505 Co\n0.677052 0.341569 0.911028 Si\n0.676092 0.838539 0.409320 Si\n0.320841 0.663653 0.086082 Si\n0.321973 0.157772 0.591662 Si\n0.739499 0.404926 0.344673 C\n0.719372 0.912276 0.838661 C\n0.277682 0.587253 0.659084 C\n0.273214 0.091832 0.161752 C\n0.229525 0.157627 0.096621 O\n0.235156 0.652737 0.593614 O\n0.766502 0.846972 0.903615 O\n0.742617 0.337861 0.411281 O\n0.951545 0.441039 0.308426 O\n0.918174 0.956280 0.794643 O\n0.078200 0.541765 0.700161 O\n0.075794 0.050110 0.207394 O\n0.521379 0.435998 0.314212 O\n0.491056 0.936226 0.814983 O\n0.505437 0.565004 0.685394 O\n0.502524 0.066313 0.182947 O\n0.181811 0.585484 0.164485 O\n0.169644 0.082100 0.667804 O\n0.825349 0.415987 0.832266 O\n0.822868 0.917264 0.334195 O\n0.355443 0.349762 0.904374 O\n0.354465 0.843933 0.401085 O\n0.641888 0.661112 0.089117 O\n0.643437 0.150026 0.600201 O\n0.743196 0.188010 0.852391 O\n0.749441 0.685874 0.345546 O\n0.748951 0.404816 0.063802 O\n0.743829 0.897572 0.562603 O\n0.240130 0.602099 0.934982 O\n0.258834 0.098098 0.438148 O\n0.242225 0.815239 0.148837 O\n0.257147 0.311081 0.650389 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Co",
"Si",
"C",
"O"
],
"chemical_system": "C-Co-Na-O-Si",
"density": 2.7492559492298216,
"density_atomic": 0.0773047535175567,
"volume": 620.9191261323757,
"volume_molar": 7.790129954469502,
"formula_full": "Na8 Co4 Si4 C4 O28",
"formula_reduced": "Na2CoSiCO7",
"formula_anonymous": "ABCD2E7",
"energy": -335.1537202,
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"energy_above_hull": null,
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"energy_uncorrected": -309.3657202,
"band_gap": 0.1454,
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"updated_at": "2021-11-28T01:34:41.177000Z",
"spacegroup": 8
},
{
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.29552132,
"band_gap": 6.9087,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.891000Z",
"spacegroup": 11
},
{
"id": "mp-773001",
"created_at": "2022-09-04T14:46:27.235155Z",
"structure_string": "Cr3 S6 O24\n1.0\n8.836868 -0.013610 -0.009338\n4.956825 7.315758 -0.009337\n4.956825 2.624060 6.828961\nCr S O\n3 6 24\ndirect\n0.149508 0.149508 0.149508 Cr\n0.643783 0.643783 0.643783 Cr\n0.850369 0.850369 0.850369 Cr\n0.045141 0.748874 0.459296 S\n0.459296 0.045141 0.748874 S\n0.748874 0.459296 0.045141 S\n0.253373 0.538023 0.959440 S\n0.538023 0.959440 0.253373 S\n0.959440 0.253373 0.538023 S\n0.111505 0.296382 0.510299 O\n0.296382 0.510299 0.111505 O\n0.007491 0.960300 0.329489 O\n0.510299 0.111505 0.296382 O\n0.020655 0.719185 0.656247 O\n0.240436 0.622238 0.377674 O\n0.377674 0.240436 0.622238 O\n0.329489 0.007491 0.960300 O\n0.622238 0.377674 0.240436 O\n0.045293 0.672859 0.981962 O\n0.282334 0.346328 0.973638 O\n0.346328 0.973638 0.282334 O\n0.656247 0.020655 0.719185 O\n0.719185 0.656247 0.020655 O\n0.960300 0.329489 0.007491 O\n0.382446 0.621645 0.757380 O\n0.672859 0.981962 0.045293 O\n0.621645 0.757380 0.382446 O\n0.757380 0.382446 0.621645 O\n0.973638 0.282334 0.346328 O\n0.486963 0.890942 0.703460 O\n0.981962 0.045293 0.672859 O\n0.703460 0.486963 0.890942 O\n0.890942 0.703460 0.486963 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Cr",
"S",
"O"
],
"chemical_system": "Cr-O-S",
"density": 2.7490595866455876,
"density_atomic": 0.07459712107686263,
"volume": 442.376321279179,
"volume_molar": 8.072886289800605,
"formula_full": "Cr3 S6 O24",
"formula_reduced": "Cr(SO4)2",
"formula_anonymous": "AB2C8",
"energy": -231.23436424,
"energy_per_atom": -7.007101946666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -208.74936424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0002056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.277000Z",
"spacegroup": 146
}
]
}