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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=977",
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"results": [
{
"id": "jvasp-23784",
"created_at": "2022-09-04T14:37:49.611892Z",
"updated_at": "2022-09-04T14:37:49.611913Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n5.563563 0.000000 0.000000\n0.000000 5.595657 0.000000\n0.000000 0.000000 7.876208\nSr Ru O\n4 4 12\ndirect\n0.525273 0.503816 0.750000 Sr\n0.474726 0.496184 0.250000 Sr\n0.974726 0.003816 0.250000 Sr\n0.025273 0.996184 0.750000 Sr\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.996442 0.438781 0.750000 O\n0.218163 0.218270 0.467993 O\n0.218163 0.218270 0.032007 O\n0.281836 0.718270 0.532007 O\n0.781836 0.781730 0.967993 O\n0.718163 0.281730 0.467993 O\n0.281836 0.718270 0.967993 O\n0.718163 0.281730 0.032007 O\n0.496443 0.061219 0.750000 O\n0.781836 0.781730 0.532007 O\n0.503557 0.938781 0.250000 O\n0.003557 0.561219 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:38:07.179525Z",
"structure_string": "Y1 Fe2 B2\n1.0\n3.413853 -0.000000 -1.187774\n-0.413260 3.388747 -1.187774\n-0.054840 -0.061934 5.342248\nY Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750001 0.500001 Fe\n0.749999 0.250001 0.500001 Fe\n0.659682 0.659683 0.319365 B\n0.340318 0.340319 0.680637 B\n",
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},
{
"id": "jvasp-10810",
"created_at": "2022-09-04T14:36:35.938068Z",
"updated_at": "2022-09-04T14:36:35.938102Z",
"structure_string": "Mg2 Ti4 O10\n1.0\n0.000000 4.829735 -0.001315\n3.393641 0.000000 0.000000\n0.000000 0.001209 -11.968433\nMg Ti O\n2 4 10\ndirect\n0.123210 0.250000 0.249934 Mg\n0.876791 0.750000 0.750066 Mg\n0.588343 0.750000 0.102996 Ti\n0.411658 0.250000 0.897004 Ti\n0.411801 0.250000 0.603040 Ti\n0.588200 0.750000 0.396960 Ti\n0.575525 0.250000 0.750017 O\n0.424476 0.750000 0.249982 O\n0.424149 0.250000 0.072658 O\n0.575852 0.750000 0.927341 O\n0.424068 0.250000 0.427371 O\n0.575933 0.750000 0.572628 O\n0.935830 0.750000 0.359222 O\n0.064171 0.250000 0.640777 O\n0.064037 0.250000 0.859353 O\n0.935965 0.750000 0.140647 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.386575587058584,
"density_atomic": 0.0815630581963019,
"volume": 196.1672398488541,
"volume_molar": 7.383417067940504,
"formula_full": "Mg2 Ti4 O10",
"formula_reduced": "MgTi2O5",
"formula_anonymous": "AB2C5",
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"spacegroup": 59
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{
"id": "jvasp-94931",
"created_at": "2022-09-04T14:35:56.362141Z",
"updated_at": "2022-09-04T14:35:56.362158Z",
"structure_string": "Ca1 Ni5 H1\n1.0\n0.000004 0.002615 3.974226\n2.533333 4.262487 0.081681\n-2.533045 4.262593 0.081673\nCa Ni H\n1 5 1\ndirect\n0.978444 0.996084 0.996113 Ca\n0.011287 0.340312 0.340337 Ni\n0.009046 0.661090 0.661122 Ni\n0.512941 0.500500 0.500530 Ni\n0.516569 0.991246 0.512521 Ni\n0.516569 0.512492 0.991274 Ni\n0.309040 0.202172 0.202203 H\n",
"nsites": 7,
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"elements": [
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"H"
],
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"density": 6.472928453320107,
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"volume": 85.82486748033465,
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"formula_full": "Ca1 Ni5 H1",
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"formula_anonymous": "ABC5",
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"spacegroup": 8
},
{
"id": "jvasp-67688",
"created_at": "2022-09-04T14:35:57.070803Z",
"updated_at": "2022-09-04T14:35:57.070815Z",
"structure_string": "Be1 Si2 Ru1\n1.0\n3.162409 0.000000 0.000000\n0.000000 3.162409 -0.000000\n0.000000 0.000000 4.903899\nBe Si Ru\n1 2 1\ndirect\n0.000000 0.000000 0.479770 Be\n0.000000 0.000000 -0.002851 Si\n0.500000 0.500000 0.266797 Si\n0.500000 0.500000 0.756284 Ru\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.08156097330484777,
"volume": 49.043063586911,
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"formula_full": "Be1 Si2 Ru1",
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{
"id": "jvasp-30581",
"created_at": "2022-09-04T14:37:16.115406Z",
"updated_at": "2022-09-04T14:37:16.115432Z",
"structure_string": "Zn1 Cr2 F12\n1.0\n5.247278 0.055137 0.061068\n5.884386 8.757020 0.093340\n2.959602 1.588399 4.069744\nZn Cr F\n1 2 12\ndirect\n0.000000 0.500000 -0.000000 Zn\n0.495054 0.236964 0.519907 Cr\n0.504947 0.763037 0.480093 Cr\n0.120269 0.206474 0.728947 F\n0.133309 0.703270 0.728719 F\n0.403324 0.364589 0.133648 F\n0.417946 0.864492 0.124225 F\n0.726939 0.064040 0.412682 F\n0.729839 0.566356 0.402768 F\n0.270161 0.433644 0.597232 F\n0.273062 0.935961 0.587317 F\n0.582054 0.135508 0.875775 F\n0.596676 0.635411 0.866352 F\n0.866691 0.296731 0.271280 F\n0.879732 0.793526 0.271052 F\n",
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"F"
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"density_atomic": 0.08156085158606093,
"volume": 183.9117629144956,
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"formula_full": "Zn1 Cr2 F12",
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"formula_anonymous": "AB2C12",
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"spacegroup": 2
},
{
"id": "jvasp-8001",
"created_at": "2022-09-04T14:36:43.061826Z",
"updated_at": "2022-09-04T14:36:43.061838Z",
"structure_string": "Ir2 F6\n1.0\n4.406328 -0.004793 3.160646\n1.619949 4.097745 3.160646\n-0.007057 -0.004793 5.422671\nIr F\n2 6\ndirect\n0.499999 0.500001 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.425350 0.750001 0.074650 F\n0.750000 0.074651 0.425351 F\n0.925350 0.574651 0.250000 F\n0.249999 0.925352 0.574650 F\n0.574649 0.250001 0.925351 F\n0.074649 0.425352 0.750000 F\n",
"nsites": 8,
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"elements": [
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"density": 8.437897341593683,
"density_atomic": 0.08155973675387254,
"volume": 98.08761428622624,
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"formula_full": "Ir2 F6",
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},
{
"id": "jvasp-74379",
"created_at": "2022-09-04T14:36:09.458036Z",
"updated_at": "2022-09-04T14:36:09.458056Z",
"structure_string": "Be1 Cr4 W1\n1.0\n-0.000000 3.325693 3.325693\n3.325693 0.000000 3.325693\n3.325693 3.325693 -0.000000\nBe Cr W\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.121489 0.626170 0.626170 Cr\n0.626170 0.626170 0.626170 Cr\n0.626170 0.121489 0.626170 Cr\n0.626170 0.626170 0.121489 Cr\n0.250000 0.250000 0.250000 W\n",
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"elements": [
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"Cr",
"W"
],
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"density": 9.04773731253582,
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"volume": 73.56588512038316,
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"formula_full": "Be1 Cr4 W1",
"formula_reduced": "BeCr4W",
"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-87990",
"created_at": "2022-09-04T14:36:12.047315Z",
"updated_at": "2022-09-04T14:36:12.047335Z",
"structure_string": "Ca4 Si10 N16\n1.0\n5.636627 0.000000 0.000000\n-2.818313 6.693892 -2.710677\n0.000000 0.001639 9.748914\nCa Si N\n4 10 16\ndirect\n0.236822 0.002496 0.002714 Ca\n0.862892 0.218618 0.197717 Ca\n0.355727 0.218618 0.697717 Ca\n0.765674 0.002496 0.502713 Ca\n0.253939 0.115401 0.353478 Si\n0.861463 0.115401 0.853477 Si\n0.546958 0.511056 0.317522 Si\n0.964098 0.511056 0.817522 Si\n0.257539 0.508265 0.062904 Si\n0.250727 0.508265 0.562904 Si\n0.155336 0.724745 0.368203 Si\n0.569410 0.724745 0.868203 Si\n0.853559 0.711524 0.126058 Si\n0.857967 0.711524 0.626058 Si\n0.623993 0.973464 0.930199 N\n0.277681 0.589111 0.914972 N\n0.139927 0.257083 0.497343 N\n0.553780 0.590607 0.169284 N\n0.036827 0.590607 0.669284 N\n0.056133 0.607104 0.175718 N\n0.550972 0.607104 0.675718 N\n0.984995 0.962741 0.217879 N\n0.977749 0.962741 0.717879 N\n0.820603 0.668765 0.934973 N\n0.848164 0.668765 0.434974 N\n0.477060 0.261819 0.272931 N\n0.784760 0.261819 0.772931 N\n0.311432 0.589111 0.414972 N\n0.117156 0.257083 0.997343 N\n0.349473 0.973464 0.430199 N\n",
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"density_atomic": 0.08155253245909594,
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"formula_full": "Ca4 Si10 N16",
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{
"id": "jvasp-35015",
"created_at": "2022-09-04T14:37:33.726516Z",
"updated_at": "2022-09-04T14:37:33.726543Z",
"structure_string": "Ni2 P2 Rh2\n1.0\n3.528648 0.000000 0.000000\n0.000000 3.528648 -0.000000\n0.000000 0.000000 5.908852\nNi P Rh\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.752216 P\n0.000000 0.500000 0.247783 P\n0.500000 0.000000 0.369075 Rh\n0.000000 0.500000 0.630925 Rh\n",
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},
{
"id": "jvasp-42663",
"created_at": "2022-09-04T14:37:51.867597Z",
"updated_at": "2022-09-04T14:37:51.867613Z",
"structure_string": "Na4 Co2 O6\n1.0\n4.839236 0.213955 0.334775\n-0.268140 6.547863 -1.159431\n-0.248646 -4.002275 5.312580\nNa Co O\n4 2 6\ndirect\n0.756999 0.563720 0.405305 Na\n0.756978 0.905382 0.063787 Na\n0.243023 0.094619 -0.063786 Na\n0.243002 0.436281 0.594696 Na\n0.705248 0.200466 0.700443 Co\n0.294753 0.799535 0.299559 Co\n0.756218 0.114639 0.891500 O\n0.756176 0.391587 0.614663 O\n0.686311 0.814131 0.314124 O\n0.313689 0.185871 0.685878 O\n0.243824 0.608415 0.385338 O\n0.243782 0.885363 0.108502 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-11780",
"created_at": "2022-09-04T14:36:32.510109Z",
"updated_at": "2022-09-04T14:36:32.510134Z",
"structure_string": "Mg2 Cr2 O8\n1.0\n5.010058 0.020413 0.000000\n-1.970806 4.606194 0.000000\n-0.000000 0.000000 6.365728\nMg Cr O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.360289 0.639710 0.750000 Cr\n0.639710 0.360289 0.250000 Cr\n0.728068 0.777880 0.750000 O\n0.271931 0.222118 0.250000 O\n0.777881 0.728067 0.250000 O\n0.222118 0.271931 0.750000 O\n0.247292 0.752707 0.958568 O\n0.752707 0.247292 0.458568 O\n0.752707 0.247292 0.041432 O\n0.247292 0.752707 0.541432 O\n",
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"volume": 147.15990267818748,
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"formula_full": "Mg2 Cr2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 63
}
]
}